USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 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 Set 1.1: A 369 THR OG1 : rot 170:sc= -2.76 USER MOD Set 1.2: A 371 GLN : amide:sc= -4.47! C(o=-7.2!,f=-8.7!) USER MOD Single : A 347 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 348 MET CE :methyl -159:sc= -1.19 (180deg=-1.49!) USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.6!) USER MOD Single : A 354 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 THR OG1 : rot 180:sc= -3.19! USER MOD Single : A 357 GLN : amide:sc= -5.16! C(o=-5.2!,f=-5.3!) USER MOD Single : A 359 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 82:sc= -0.54 USER MOD Single : A 366 MET CE :methyl -136:sc= -0.155 (180deg=-1.78!) USER MOD Single : A 368 SER OG : rot 8:sc= 0.211 USER MOD Single : A 374 LYS NZ :NH3+ -179:sc= 0.258 (180deg=0.207) USER MOD Single : A 379 ASN : amide:sc= -0.465 K(o=-0.47,f=-6.5!) USER MOD Single : A 381 LYS NZ :NH3+ -107:sc= -1.33 (180deg=-3.81!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl -115:sc= -8.38! (180deg=-12!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0808 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= -2.3! C(o=-2.3!,f=-3.4!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.4) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ -145:sc= -0.418 (180deg=-2.06!) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 7.903 12.577 -8.462 1.00 62.33 N ATOM 2 CA GLY A 345 9.234 12.359 -7.921 1.00 42.43 C ATOM 3 C GLY A 345 9.189 11.418 -6.716 1.00 63.11 C ATOM 4 O GLY A 345 9.767 10.333 -6.750 1.00 22.34 O ATOM 0 HA2 GLY A 345 9.879 11.938 -8.692 1.00 42.43 H new ATOM 0 HA3 GLY A 345 9.671 13.313 -7.626 1.00 42.43 H new ATOM 8 N PRO A 346 8.479 11.880 -5.652 1.00 72.32 N ATOM 9 CA PRO A 346 8.351 11.091 -4.439 1.00 11.14 C ATOM 10 C PRO A 346 7.369 9.935 -4.637 1.00 35.10 C ATOM 11 O PRO A 346 6.788 9.786 -5.711 1.00 13.50 O ATOM 12 CB PRO A 346 7.900 12.078 -3.374 1.00 70.30 C ATOM 13 CG PRO A 346 7.346 13.277 -4.125 1.00 55.24 C ATOM 14 CD PRO A 346 7.781 13.160 -5.577 1.00 22.02 C ATOM 0 HA PRO A 346 9.286 10.611 -4.149 1.00 11.14 H new ATOM 0 HB2 PRO A 346 7.141 11.636 -2.729 1.00 70.30 H new ATOM 0 HB3 PRO A 346 8.733 12.369 -2.733 1.00 70.30 H new ATOM 0 HG2 PRO A 346 6.259 13.303 -4.053 1.00 55.24 H new ATOM 0 HG3 PRO A 346 7.717 14.205 -3.689 1.00 55.24 H new ATOM 0 HD2 PRO A 346 6.924 13.184 -6.250 1.00 22.02 H new ATOM 0 HD3 PRO A 346 8.434 13.985 -5.863 1.00 22.02 H new ATOM 22 N HIS A 347 7.213 9.146 -3.584 1.00 71.43 N ATOM 23 CA HIS A 347 6.311 8.007 -3.629 1.00 52.41 C ATOM 24 C HIS A 347 4.862 8.500 -3.612 1.00 62.33 C ATOM 25 O HIS A 347 4.225 8.529 -2.561 1.00 33.52 O ATOM 26 CB HIS A 347 6.617 7.027 -2.496 1.00 31.45 C ATOM 27 CG HIS A 347 5.989 5.665 -2.675 1.00 52.10 C ATOM 28 ND1 HIS A 347 6.617 4.632 -3.349 1.00 4.52 N ATOM 29 CD2 HIS A 347 4.784 5.178 -2.261 1.00 71.22 C ATOM 30 CE1 HIS A 347 5.817 3.577 -3.336 1.00 23.51 C ATOM 31 NE2 HIS A 347 4.681 3.917 -2.662 1.00 24.42 N ATOM 0 H HIS A 347 7.696 9.273 -2.695 1.00 71.43 H new ATOM 0 HA HIS A 347 6.460 7.456 -4.558 1.00 52.41 H new ATOM 0 HB2 HIS A 347 7.697 6.909 -2.413 1.00 31.45 H new ATOM 0 HB3 HIS A 347 6.270 7.455 -1.556 1.00 31.45 H new ATOM 0 HD2 HIS A 347 4.040 5.726 -1.702 1.00 71.22 H new ATOM 0 HE1 HIS A 347 6.027 2.616 -3.781 1.00 23.51 H new ATOM 0 HE2 HIS A 347 3.884 3.303 -2.494 1.00 24.42 H new ATOM 39 N MET A 348 4.385 8.875 -4.790 1.00 31.11 N ATOM 40 CA MET A 348 3.023 9.365 -4.924 1.00 24.40 C ATOM 41 C MET A 348 2.017 8.337 -4.402 1.00 61.22 C ATOM 42 O MET A 348 2.066 7.168 -4.781 1.00 74.40 O ATOM 43 CB MET A 348 2.731 9.664 -6.396 1.00 20.14 C ATOM 44 CG MET A 348 3.415 10.959 -6.838 1.00 65.12 C ATOM 45 SD MET A 348 2.682 12.354 -6.001 1.00 0.14 S ATOM 46 CE MET A 348 4.094 13.444 -5.919 1.00 34.41 C ATOM 0 H MET A 348 4.917 8.850 -5.660 1.00 31.11 H new ATOM 0 HA MET A 348 2.924 10.275 -4.333 1.00 24.40 H new ATOM 0 HB2 MET A 348 3.077 8.836 -7.015 1.00 20.14 H new ATOM 0 HB3 MET A 348 1.655 9.747 -6.548 1.00 20.14 H new ATOM 0 HG2 MET A 348 4.481 10.911 -6.616 1.00 65.12 H new ATOM 0 HG3 MET A 348 3.319 11.081 -7.917 1.00 65.12 H new ATOM 0 HE1 MET A 348 3.941 14.178 -5.128 1.00 34.41 H new ATOM 0 HE2 MET A 348 4.991 12.862 -5.706 1.00 34.41 H new ATOM 0 HE3 MET A 348 4.213 13.958 -6.873 1.00 34.41 H new ATOM 56 N GLY A 349 1.129 8.810 -3.541 1.00 12.42 N ATOM 57 CA GLY A 349 0.113 7.947 -2.963 1.00 54.21 C ATOM 58 C GLY A 349 -0.519 8.594 -1.729 1.00 12.11 C ATOM 59 O GLY A 349 -0.732 7.930 -0.716 1.00 32.32 O ATOM 0 H GLY A 349 1.092 9.780 -3.229 1.00 12.42 H new ATOM 0 HA2 GLY A 349 -0.658 7.740 -3.705 1.00 54.21 H new ATOM 0 HA3 GLY A 349 0.557 6.990 -2.689 1.00 54.21 H new ATOM 63 N SER A 350 -0.801 9.882 -1.854 1.00 53.54 N ATOM 64 CA SER A 350 -1.405 10.626 -0.762 1.00 4.53 C ATOM 65 C SER A 350 -2.771 11.167 -1.188 1.00 61.12 C ATOM 66 O SER A 350 -2.904 11.751 -2.263 1.00 22.42 O ATOM 67 CB SER A 350 -0.498 11.773 -0.309 1.00 60.14 C ATOM 68 OG SER A 350 0.160 12.399 -1.408 1.00 32.41 O ATOM 0 H SER A 350 -0.622 10.430 -2.696 1.00 53.54 H new ATOM 0 HA SER A 350 -1.537 9.948 0.081 1.00 4.53 H new ATOM 0 HB2 SER A 350 -1.091 12.513 0.228 1.00 60.14 H new ATOM 0 HB3 SER A 350 0.246 11.392 0.390 1.00 60.14 H new ATOM 0 HG SER A 350 0.728 13.126 -1.078 1.00 32.41 H new ATOM 74 N ASP A 351 -3.752 10.953 -0.324 1.00 11.21 N ATOM 75 CA ASP A 351 -5.104 11.412 -0.598 1.00 24.45 C ATOM 76 C ASP A 351 -5.331 12.757 0.094 1.00 42.41 C ATOM 77 O ASP A 351 -4.437 13.275 0.761 1.00 3.31 O ATOM 78 CB ASP A 351 -6.140 10.423 -0.060 1.00 21.11 C ATOM 79 CG ASP A 351 -6.545 9.316 -1.035 1.00 64.14 C ATOM 80 OD1 ASP A 351 -7.553 8.624 -0.833 1.00 73.32 O ATOM 81 OD2 ASP A 351 -5.765 9.174 -2.053 1.00 42.53 O ATOM 0 H ASP A 351 -3.638 10.468 0.566 1.00 11.21 H new ATOM 0 HA ASP A 351 -5.218 11.502 -1.678 1.00 24.45 H new ATOM 0 HB2 ASP A 351 -5.744 9.962 0.845 1.00 21.11 H new ATOM 0 HB3 ASP A 351 -7.033 10.977 0.229 1.00 21.11 H new ATOM 87 N HIS A 352 -6.532 13.285 -0.089 1.00 51.34 N ATOM 88 CA HIS A 352 -6.888 14.561 0.508 1.00 32.14 C ATOM 89 C HIS A 352 -8.273 14.458 1.151 1.00 23.44 C ATOM 90 O HIS A 352 -9.198 13.906 0.557 1.00 25.43 O ATOM 91 CB HIS A 352 -6.795 15.688 -0.522 1.00 14.34 C ATOM 92 CG HIS A 352 -5.405 16.253 -0.690 1.00 51.13 C ATOM 93 ND1 HIS A 352 -4.660 16.741 0.369 1.00 34.14 N ATOM 94 CD2 HIS A 352 -4.632 16.401 -1.804 1.00 54.45 C ATOM 95 CE1 HIS A 352 -3.494 17.162 -0.098 1.00 14.23 C ATOM 96 NE2 HIS A 352 -3.479 16.951 -1.445 1.00 52.42 N ATOM 0 H HIS A 352 -7.271 12.852 -0.643 1.00 51.34 H new ATOM 0 HA HIS A 352 -6.177 14.809 1.296 1.00 32.14 H new ATOM 0 HB2 HIS A 352 -7.144 15.316 -1.485 1.00 14.34 H new ATOM 0 HB3 HIS A 352 -7.470 16.492 -0.228 1.00 14.34 H new ATOM 0 HD1 HIS A 352 -4.958 16.771 1.344 1.00 34.14 H new ATOM 0 HD2 HIS A 352 -4.911 16.118 -2.808 1.00 54.45 H new ATOM 0 HE1 HIS A 352 -2.696 17.596 0.486 1.00 14.23 H new ATOM 104 N ILE A 353 -8.372 14.998 2.357 1.00 25.52 N ATOM 105 CA ILE A 353 -9.628 14.973 3.087 1.00 5.25 C ATOM 106 C ILE A 353 -10.122 16.407 3.291 1.00 73.44 C ATOM 107 O ILE A 353 -9.321 17.334 3.401 1.00 75.24 O ATOM 108 CB ILE A 353 -9.475 14.185 4.390 1.00 61.11 C ATOM 109 CG1 ILE A 353 -9.550 12.679 4.131 1.00 22.23 C ATOM 110 CG2 ILE A 353 -10.501 14.640 5.430 1.00 72.25 C ATOM 111 CD1 ILE A 353 -9.454 11.892 5.440 1.00 4.31 C ATOM 0 H ILE A 353 -7.603 15.455 2.847 1.00 25.52 H new ATOM 0 HA ILE A 353 -10.392 14.450 2.513 1.00 5.25 H new ATOM 0 HB ILE A 353 -8.487 14.392 4.801 1.00 61.11 H new ATOM 0 HG12 ILE A 353 -10.486 12.439 3.626 1.00 22.23 H new ATOM 0 HG13 ILE A 353 -8.742 12.381 3.463 1.00 22.23 H new ATOM 0 HG21 ILE A 353 -10.370 14.064 6.346 1.00 72.25 H new ATOM 0 HG22 ILE A 353 -10.357 15.699 5.644 1.00 72.25 H new ATOM 0 HG23 ILE A 353 -11.507 14.481 5.042 1.00 72.25 H new ATOM 0 HD11 ILE A 353 -9.510 10.824 5.228 1.00 4.31 H new ATOM 0 HD12 ILE A 353 -8.506 12.115 5.930 1.00 4.31 H new ATOM 0 HD13 ILE A 353 -10.277 12.175 6.096 1.00 4.31 H new ATOM 123 N LYS A 354 -11.439 16.544 3.334 1.00 34.51 N ATOM 124 CA LYS A 354 -12.050 17.848 3.522 1.00 54.40 C ATOM 125 C LYS A 354 -12.850 17.849 4.826 1.00 13.12 C ATOM 126 O LYS A 354 -13.555 16.887 5.127 1.00 71.22 O ATOM 127 CB LYS A 354 -12.876 18.235 2.294 1.00 55.14 C ATOM 128 CG LYS A 354 -12.925 19.755 2.121 1.00 24.34 C ATOM 129 CD LYS A 354 -13.999 20.374 3.018 1.00 45.31 C ATOM 130 CE LYS A 354 -14.567 21.649 2.391 1.00 33.12 C ATOM 131 NZ LYS A 354 -15.643 21.318 1.429 1.00 5.44 N ATOM 0 H LYS A 354 -12.100 15.773 3.242 1.00 34.51 H new ATOM 0 HA LYS A 354 -11.283 18.617 3.617 1.00 54.40 H new ATOM 0 HB2 LYS A 354 -12.445 17.778 1.403 1.00 55.14 H new ATOM 0 HB3 LYS A 354 -13.889 17.844 2.395 1.00 55.14 H new ATOM 0 HG2 LYS A 354 -11.953 20.184 2.363 1.00 24.34 H new ATOM 0 HG3 LYS A 354 -13.131 20.000 1.079 1.00 24.34 H new ATOM 0 HD2 LYS A 354 -14.802 19.655 3.180 1.00 45.31 H new ATOM 0 HD3 LYS A 354 -13.574 20.603 3.995 1.00 45.31 H new ATOM 0 HE2 LYS A 354 -14.957 22.303 3.171 1.00 33.12 H new ATOM 0 HE3 LYS A 354 -13.773 22.197 1.884 1.00 33.12 H new ATOM 0 HZ1 LYS A 354 -16.018 22.194 1.012 1.00 5.44 H new ATOM 0 HZ2 LYS A 354 -15.260 20.712 0.675 1.00 5.44 H new ATOM 0 HZ3 LYS A 354 -16.408 20.815 1.923 1.00 5.44 H new ATOM 144 N VAL A 355 -12.714 18.940 5.566 1.00 75.12 N ATOM 145 CA VAL A 355 -13.416 19.079 6.831 1.00 62.42 C ATOM 146 C VAL A 355 -14.787 19.710 6.582 1.00 11.12 C ATOM 147 O VAL A 355 -14.921 20.603 5.747 1.00 70.23 O ATOM 148 CB VAL A 355 -12.561 19.875 7.819 1.00 40.25 C ATOM 149 CG1 VAL A 355 -13.426 20.492 8.919 1.00 13.21 C ATOM 150 CG2 VAL A 355 -11.455 19.002 8.415 1.00 52.00 C ATOM 0 H VAL A 355 -12.128 19.736 5.314 1.00 75.12 H new ATOM 0 HA VAL A 355 -13.586 18.102 7.283 1.00 62.42 H new ATOM 0 HB VAL A 355 -12.086 20.689 7.271 1.00 40.25 H new ATOM 0 HG11 VAL A 355 -12.794 21.052 9.608 1.00 13.21 H new ATOM 0 HG12 VAL A 355 -14.159 21.163 8.472 1.00 13.21 H new ATOM 0 HG13 VAL A 355 -13.942 19.701 9.463 1.00 13.21 H new ATOM 0 HG21 VAL A 355 -10.862 19.592 9.114 1.00 52.00 H new ATOM 0 HG22 VAL A 355 -11.901 18.158 8.941 1.00 52.00 H new ATOM 0 HG23 VAL A 355 -10.812 18.633 7.616 1.00 52.00 H new ATOM 160 N THR A 356 -15.771 19.222 7.323 1.00 70.31 N ATOM 161 CA THR A 356 -17.127 19.727 7.193 1.00 11.24 C ATOM 162 C THR A 356 -17.366 20.872 8.180 1.00 41.25 C ATOM 163 O THR A 356 -16.977 20.785 9.343 1.00 11.32 O ATOM 164 CB THR A 356 -18.089 18.553 7.381 1.00 34.34 C ATOM 165 OG1 THR A 356 -17.597 17.882 8.538 1.00 1.13 O ATOM 166 CG2 THR A 356 -17.967 17.511 6.267 1.00 13.40 C ATOM 0 H THR A 356 -15.656 18.482 8.016 1.00 70.31 H new ATOM 0 HA THR A 356 -17.298 20.151 6.203 1.00 11.24 H new ATOM 0 HB THR A 356 -19.112 18.926 7.419 1.00 34.34 H new ATOM 0 HG1 THR A 356 -18.165 17.107 8.733 1.00 1.13 H new ATOM 0 HG21 THR A 356 -18.672 16.700 6.449 1.00 13.40 H new ATOM 0 HG22 THR A 356 -18.190 17.977 5.307 1.00 13.40 H new ATOM 0 HG23 THR A 356 -16.952 17.113 6.250 1.00 13.40 H new ATOM 174 N GLN A 357 -18.004 21.919 7.678 1.00 53.22 N ATOM 175 CA GLN A 357 -18.300 23.080 8.500 1.00 3.20 C ATOM 176 C GLN A 357 -18.759 22.642 9.892 1.00 75.11 C ATOM 177 O GLN A 357 -18.492 23.323 10.881 1.00 74.12 O ATOM 178 CB GLN A 357 -19.348 23.973 7.832 1.00 24.23 C ATOM 179 CG GLN A 357 -18.701 24.903 6.804 1.00 62.54 C ATOM 180 CD GLN A 357 -19.479 26.214 6.684 1.00 55.10 C ATOM 181 OE1 GLN A 357 -19.966 26.583 5.628 1.00 41.23 O ATOM 182 NE2 GLN A 357 -19.570 26.895 7.823 1.00 52.22 N ATOM 0 H GLN A 357 -18.324 21.988 6.712 1.00 53.22 H new ATOM 0 HA GLN A 357 -17.387 23.666 8.608 1.00 3.20 H new ATOM 0 HB2 GLN A 357 -20.101 23.354 7.344 1.00 24.23 H new ATOM 0 HB3 GLN A 357 -19.863 24.564 8.589 1.00 24.23 H new ATOM 0 HG2 GLN A 357 -17.672 25.112 7.095 1.00 62.54 H new ATOM 0 HG3 GLN A 357 -18.664 24.408 5.834 1.00 62.54 H new ATOM 0 HE21 GLN A 357 -19.139 26.529 8.672 1.00 52.22 H new ATOM 0 HE22 GLN A 357 -20.071 27.783 7.848 1.00 52.22 H new ATOM 191 N GLU A 358 -19.443 21.507 9.924 1.00 1.34 N ATOM 192 CA GLU A 358 -19.942 20.970 11.179 1.00 53.13 C ATOM 193 C GLU A 358 -18.778 20.615 12.105 1.00 23.41 C ATOM 194 O GLU A 358 -18.760 21.015 13.268 1.00 55.10 O ATOM 195 CB GLU A 358 -20.840 19.755 10.936 1.00 13.40 C ATOM 196 CG GLU A 358 -20.031 18.575 10.395 1.00 33.31 C ATOM 197 CD GLU A 358 -20.954 17.461 9.896 1.00 62.14 C ATOM 198 OE1 GLU A 358 -21.932 17.738 9.186 1.00 72.10 O ATOM 199 OE2 GLU A 358 -20.624 16.271 10.269 1.00 44.11 O ATOM 0 H GLU A 358 -19.663 20.945 9.102 1.00 1.34 H new ATOM 0 HA GLU A 358 -20.546 21.736 11.665 1.00 53.13 H new ATOM 0 HB2 GLU A 358 -21.330 19.468 11.867 1.00 13.40 H new ATOM 0 HB3 GLU A 358 -21.627 20.016 10.229 1.00 13.40 H new ATOM 0 HG2 GLU A 358 -19.389 18.912 9.581 1.00 33.31 H new ATOM 0 HG3 GLU A 358 -19.378 18.188 11.177 1.00 33.31 H new ATOM 207 N GLN A 359 -17.833 19.867 11.555 1.00 63.41 N ATOM 208 CA GLN A 359 -16.667 19.453 12.317 1.00 31.34 C ATOM 209 C GLN A 359 -15.938 20.675 12.879 1.00 55.43 C ATOM 210 O GLN A 359 -15.901 20.877 14.092 1.00 43.35 O ATOM 211 CB GLN A 359 -15.728 18.599 11.463 1.00 2.12 C ATOM 212 CG GLN A 359 -16.453 17.370 10.912 1.00 71.21 C ATOM 213 CD GLN A 359 -16.304 16.176 11.857 1.00 72.21 C ATOM 214 OE1 GLN A 359 -16.899 16.115 12.921 1.00 43.14 O ATOM 215 NE2 GLN A 359 -15.480 15.232 11.411 1.00 43.31 N ATOM 0 H GLN A 359 -17.851 19.537 10.590 1.00 63.41 H new ATOM 0 HA GLN A 359 -17.003 18.839 13.153 1.00 31.34 H new ATOM 0 HB2 GLN A 359 -15.338 19.195 10.638 1.00 2.12 H new ATOM 0 HB3 GLN A 359 -14.873 18.283 12.061 1.00 2.12 H new ATOM 0 HG2 GLN A 359 -17.510 17.599 10.773 1.00 71.21 H new ATOM 0 HG3 GLN A 359 -16.050 17.115 9.932 1.00 71.21 H new ATOM 0 HE21 GLN A 359 -15.014 15.346 10.511 1.00 43.31 H new ATOM 0 HE22 GLN A 359 -15.315 14.394 11.969 1.00 43.31 H new ATOM 224 N TYR A 360 -15.378 21.459 11.970 1.00 43.33 N ATOM 225 CA TYR A 360 -14.652 22.657 12.359 1.00 73.41 C ATOM 226 C TYR A 360 -15.344 23.361 13.528 1.00 62.00 C ATOM 227 O TYR A 360 -14.711 23.660 14.539 1.00 3.22 O ATOM 228 CB TYR A 360 -14.675 23.579 11.138 1.00 22.32 C ATOM 229 CG TYR A 360 -13.739 24.784 11.252 1.00 53.04 C ATOM 230 CD1 TYR A 360 -12.460 24.621 11.744 1.00 53.03 C ATOM 231 CD2 TYR A 360 -14.174 26.034 10.862 1.00 55.54 C ATOM 232 CE1 TYR A 360 -11.580 25.755 11.850 1.00 1.54 C ATOM 233 CE2 TYR A 360 -13.294 27.169 10.968 1.00 30.14 C ATOM 234 CZ TYR A 360 -12.040 26.973 11.458 1.00 52.45 C ATOM 235 OH TYR A 360 -11.209 28.045 11.558 1.00 24.13 O ATOM 0 H TYR A 360 -15.412 21.289 10.965 1.00 43.33 H new ATOM 0 HA TYR A 360 -13.639 22.407 12.675 1.00 73.41 H new ATOM 0 HB2 TYR A 360 -14.402 23.002 10.254 1.00 22.32 H new ATOM 0 HB3 TYR A 360 -15.693 23.936 10.984 1.00 22.32 H new ATOM 0 HD1 TYR A 360 -12.119 23.643 12.049 1.00 53.03 H new ATOM 0 HD2 TYR A 360 -15.175 26.161 10.477 1.00 55.54 H new ATOM 0 HE1 TYR A 360 -10.576 25.641 12.232 1.00 1.54 H new ATOM 0 HE2 TYR A 360 -13.622 28.153 10.666 1.00 30.14 H new ATOM 0 HH TYR A 360 -11.672 28.848 11.241 1.00 24.13 H new ATOM 245 N GLU A 361 -16.634 23.605 13.351 1.00 41.24 N ATOM 246 CA GLU A 361 -17.418 24.269 14.378 1.00 32.22 C ATOM 247 C GLU A 361 -17.364 23.473 15.684 1.00 43.20 C ATOM 248 O GLU A 361 -16.895 23.978 16.703 1.00 34.23 O ATOM 249 CB GLU A 361 -18.864 24.471 13.919 1.00 4.35 C ATOM 250 CG GLU A 361 -19.044 25.842 13.264 1.00 62.25 C ATOM 251 CD GLU A 361 -19.329 26.919 14.313 1.00 65.44 C ATOM 252 OE1 GLU A 361 -19.682 26.592 15.456 1.00 42.54 O ATOM 253 OE2 GLU A 361 -19.170 28.132 13.905 1.00 2.22 O ATOM 0 H GLU A 361 -17.156 23.355 12.511 1.00 41.24 H new ATOM 0 HA GLU A 361 -16.987 25.254 14.557 1.00 32.22 H new ATOM 0 HB2 GLU A 361 -19.138 23.688 13.212 1.00 4.35 H new ATOM 0 HB3 GLU A 361 -19.536 24.380 14.772 1.00 4.35 H new ATOM 0 HG2 GLU A 361 -18.145 26.103 12.705 1.00 62.25 H new ATOM 0 HG3 GLU A 361 -19.864 25.802 12.547 1.00 62.25 H new ATOM 261 N LEU A 362 -17.849 22.243 15.611 1.00 72.34 N ATOM 262 CA LEU A 362 -17.862 21.372 16.774 1.00 3.53 C ATOM 263 C LEU A 362 -16.505 21.449 17.478 1.00 52.33 C ATOM 264 O LEU A 362 -16.387 21.892 18.621 1.00 71.41 O ATOM 265 CB LEU A 362 -18.269 19.952 16.377 1.00 42.22 C ATOM 266 CG LEU A 362 -19.733 19.762 15.976 1.00 32.53 C ATOM 267 CD1 LEU A 362 -19.866 18.718 14.865 1.00 13.23 C ATOM 268 CD2 LEU A 362 -20.594 19.416 17.193 1.00 1.11 C ATOM 0 H LEU A 362 -18.236 21.828 14.764 1.00 72.34 H new ATOM 0 HA LEU A 362 -18.613 21.705 17.490 1.00 3.53 H new ATOM 0 HB2 LEU A 362 -17.641 19.634 15.545 1.00 42.22 H new ATOM 0 HB3 LEU A 362 -18.052 19.286 17.212 1.00 42.22 H new ATOM 0 HG LEU A 362 -20.103 20.706 15.577 1.00 32.53 H new ATOM 0 HD11 LEU A 362 -20.917 18.602 14.599 1.00 13.23 H new ATOM 0 HD12 LEU A 362 -19.304 19.044 13.990 1.00 13.23 H new ATOM 0 HD13 LEU A 362 -19.473 17.763 15.214 1.00 13.23 H new ATOM 0 HD21 LEU A 362 -21.630 19.286 16.881 1.00 1.11 H new ATOM 0 HD22 LEU A 362 -20.232 18.492 17.644 1.00 1.11 H new ATOM 0 HD23 LEU A 362 -20.534 20.223 17.923 1.00 1.11 H new HETATM 280 N PTR A 363 -15.476 21.005 16.763 1.00 31.14 N HETATM 281 CA PTR A 363 -14.118 21.011 17.295 1.00 74.13 C HETATM 282 C PTR A 363 -13.695 22.422 17.688 1.00 41.11 C HETATM 283 O PTR A 363 -12.853 22.574 18.572 1.00 72.10 O HETATM 284 CB PTR A 363 -13.143 20.442 16.262 1.00 3.23 C HETATM 285 CG PTR A 363 -13.163 18.933 16.177 1.00 63.44 C HETATM 286 CD1 PTR A 363 -12.099 18.236 15.617 1.00 30.41 C HETATM 287 CD2 PTR A 363 -14.245 18.205 16.656 1.00 41.42 C HETATM 288 CE1 PTR A 363 -12.114 16.857 15.537 1.00 33.40 C HETATM 289 CE2 PTR A 363 -14.267 16.826 16.580 1.00 41.13 C HETATM 290 CZ PTR A 363 -13.199 16.157 16.020 1.00 75.25 C HETATM 291 OH PTR A 363 -13.219 14.719 15.938 1.00 34.12 O HETATM 292 P PTR A 363 -11.833 13.870 16.046 1.00 35.43 P HETATM 293 O1P PTR A 363 -12.250 12.419 16.230 1.00 41.23 O HETATM 294 O2P PTR A 363 -11.097 14.431 17.252 1.00 23.41 O HETATM 295 O3P PTR A 363 -11.096 14.111 14.739 1.00 24.33 O HETATM 0 HE2 PTR A 363 -15.124 16.270 16.960 1.00 41.13 H new HETATM 0 HE1 PTR A 363 -11.272 16.325 15.094 1.00 33.40 H new HETATM 0 HD2 PTR A 363 -15.091 18.731 17.099 1.00 41.42 H new HETATM 0 HD1 PTR A 363 -11.239 18.786 15.235 1.00 30.41 H new HETATM 0 HB3 PTR A 363 -13.382 20.856 15.282 1.00 3.23 H new HETATM 0 HB2 PTR A 363 -12.133 20.770 16.509 1.00 3.23 H new HETATM 0 HA PTR A 363 -14.099 20.384 18.187 1.00 74.13 H new ATOM 304 N CYS A 364 -14.280 23.413 17.031 1.00 61.33 N ATOM 305 CA CYS A 364 -13.954 24.799 17.321 1.00 72.31 C ATOM 306 C CYS A 364 -14.494 25.138 18.712 1.00 61.14 C ATOM 307 O CYS A 364 -14.008 26.062 19.362 1.00 64.13 O ATOM 308 CB CYS A 364 -14.501 25.744 16.250 1.00 53.51 C ATOM 309 SG CYS A 364 -13.238 26.022 14.956 1.00 43.43 S ATOM 0 H CYS A 364 -14.978 23.283 16.299 1.00 61.33 H new ATOM 0 HA CYS A 364 -12.872 24.931 17.310 1.00 72.31 H new ATOM 0 HB2 CYS A 364 -15.402 25.321 15.806 1.00 53.51 H new ATOM 0 HB3 CYS A 364 -14.785 26.694 16.702 1.00 53.51 H new ATOM 0 HG CYS A 364 -13.251 25.029 14.117 1.00 43.43 H new ATOM 315 N GLU A 365 -15.492 24.372 19.127 1.00 10.11 N ATOM 316 CA GLU A 365 -16.103 24.580 20.429 1.00 71.11 C ATOM 317 C GLU A 365 -15.168 24.093 21.538 1.00 74.11 C ATOM 318 O GLU A 365 -15.472 24.243 22.721 1.00 64.25 O ATOM 319 CB GLU A 365 -17.463 23.884 20.513 1.00 12.45 C ATOM 320 CG GLU A 365 -18.395 24.364 19.398 1.00 24.12 C ATOM 321 CD GLU A 365 -19.861 24.171 19.788 1.00 15.12 C ATOM 322 OE1 GLU A 365 -20.481 25.090 20.344 1.00 51.31 O ATOM 323 OE2 GLU A 365 -20.357 23.017 19.493 1.00 0.22 O ATOM 0 H GLU A 365 -15.893 23.607 18.585 1.00 10.11 H new ATOM 0 HA GLU A 365 -16.269 25.649 20.565 1.00 71.11 H new ATOM 0 HB2 GLU A 365 -17.328 22.805 20.440 1.00 12.45 H new ATOM 0 HB3 GLU A 365 -17.918 24.083 21.483 1.00 12.45 H new ATOM 0 HG2 GLU A 365 -18.206 25.417 19.189 1.00 24.12 H new ATOM 0 HG3 GLU A 365 -18.184 23.814 18.481 1.00 24.12 H new ATOM 331 N MET A 366 -14.051 23.520 21.117 1.00 63.33 N ATOM 332 CA MET A 366 -13.070 23.010 22.060 1.00 63.35 C ATOM 333 C MET A 366 -11.763 23.801 21.973 1.00 11.23 C ATOM 334 O MET A 366 -11.079 23.988 22.978 1.00 0.12 O ATOM 335 CB MET A 366 -12.794 21.535 21.762 1.00 62.44 C ATOM 336 CG MET A 366 -14.063 20.825 21.284 1.00 45.22 C ATOM 337 SD MET A 366 -15.348 20.981 22.512 1.00 33.20 S ATOM 338 CE MET A 366 -16.735 20.334 21.593 1.00 51.34 C ATOM 0 H MET A 366 -13.803 23.397 20.135 1.00 63.33 H new ATOM 0 HA MET A 366 -13.472 23.118 23.067 1.00 63.35 H new ATOM 0 HB2 MET A 366 -12.018 21.453 21.000 1.00 62.44 H new ATOM 0 HB3 MET A 366 -12.414 21.044 22.658 1.00 62.44 H new ATOM 0 HG2 MET A 366 -14.397 21.255 20.340 1.00 45.22 H new ATOM 0 HG3 MET A 366 -13.852 19.772 21.098 1.00 45.22 H new ATOM 0 HE1 MET A 366 -17.605 20.971 21.751 1.00 51.34 H new ATOM 0 HE2 MET A 366 -16.489 20.312 20.531 1.00 51.34 H new ATOM 0 HE3 MET A 366 -16.959 19.323 21.935 1.00 51.34 H new ATOM 348 N GLY A 367 -11.456 24.245 20.763 1.00 31.02 N ATOM 349 CA GLY A 367 -10.244 25.012 20.533 1.00 62.03 C ATOM 350 C GLY A 367 -9.182 24.162 19.831 1.00 54.21 C ATOM 351 O GLY A 367 -7.990 24.307 20.097 1.00 53.51 O ATOM 0 H GLY A 367 -12.026 24.088 19.932 1.00 31.02 H new ATOM 0 HA2 GLY A 367 -10.473 25.888 19.926 1.00 62.03 H new ATOM 0 HA3 GLY A 367 -9.854 25.376 21.483 1.00 62.03 H new ATOM 355 N SER A 368 -9.654 23.294 18.948 1.00 30.24 N ATOM 356 CA SER A 368 -8.760 22.421 18.206 1.00 34.34 C ATOM 357 C SER A 368 -9.346 22.126 16.824 1.00 64.21 C ATOM 358 O SER A 368 -10.542 22.303 16.602 1.00 74.42 O ATOM 359 CB SER A 368 -8.509 21.116 18.966 1.00 41.54 C ATOM 360 OG SER A 368 -7.629 21.303 20.071 1.00 41.22 O ATOM 0 H SER A 368 -10.643 23.177 18.730 1.00 30.24 H new ATOM 0 HA SER A 368 -7.804 22.931 18.087 1.00 34.34 H new ATOM 0 HB2 SER A 368 -9.458 20.715 19.322 1.00 41.54 H new ATOM 0 HB3 SER A 368 -8.086 20.376 18.286 1.00 41.54 H new ATOM 0 HG SER A 368 -7.459 22.260 20.196 1.00 41.22 H new ATOM 366 N THR A 369 -8.474 21.681 15.930 1.00 13.14 N ATOM 367 CA THR A 369 -8.890 21.360 14.575 1.00 24.15 C ATOM 368 C THR A 369 -9.163 19.860 14.443 1.00 44.42 C ATOM 369 O THR A 369 -9.002 19.109 15.403 1.00 3.13 O ATOM 370 CB THR A 369 -7.811 21.868 13.617 1.00 3.32 C ATOM 371 OG1 THR A 369 -6.766 20.906 13.728 1.00 31.43 O ATOM 372 CG2 THR A 369 -7.169 23.172 14.097 1.00 64.24 C ATOM 0 H THR A 369 -7.482 21.535 16.118 1.00 13.14 H new ATOM 0 HA THR A 369 -9.828 21.853 14.321 1.00 24.15 H new ATOM 0 HB THR A 369 -8.246 22.019 12.629 1.00 3.32 H new ATOM 0 HG1 THR A 369 -6.099 21.065 13.028 1.00 31.43 H new ATOM 0 HG21 THR A 369 -6.410 23.489 13.381 1.00 64.24 H new ATOM 0 HG22 THR A 369 -7.933 23.944 14.181 1.00 64.24 H new ATOM 0 HG23 THR A 369 -6.705 23.012 15.070 1.00 64.24 H new ATOM 380 N PHE A 370 -9.571 19.470 13.245 1.00 60.45 N ATOM 381 CA PHE A 370 -9.868 18.073 12.974 1.00 41.34 C ATOM 382 C PHE A 370 -8.599 17.306 12.597 1.00 22.24 C ATOM 383 O PHE A 370 -8.236 16.336 13.261 1.00 21.12 O ATOM 384 CB PHE A 370 -10.837 18.044 11.790 1.00 32.53 C ATOM 385 CG PHE A 370 -11.158 16.636 11.284 1.00 65.25 C ATOM 386 CD1 PHE A 370 -11.784 15.746 12.099 1.00 23.41 C ATOM 387 CD2 PHE A 370 -10.816 16.275 10.018 1.00 70.34 C ATOM 388 CE1 PHE A 370 -12.081 14.439 11.629 1.00 41.22 C ATOM 389 CE2 PHE A 370 -11.113 14.968 9.547 1.00 12.23 C ATOM 390 CZ PHE A 370 -11.739 14.078 10.363 1.00 54.01 C ATOM 0 H PHE A 370 -9.703 20.096 12.451 1.00 60.45 H new ATOM 0 HA PHE A 370 -10.294 17.604 13.861 1.00 41.34 H new ATOM 0 HB2 PHE A 370 -11.766 18.535 12.081 1.00 32.53 H new ATOM 0 HB3 PHE A 370 -10.412 18.625 10.972 1.00 32.53 H new ATOM 0 HD1 PHE A 370 -12.056 16.033 13.104 1.00 23.41 H new ATOM 0 HD2 PHE A 370 -10.319 16.982 9.371 1.00 70.34 H new ATOM 0 HE1 PHE A 370 -12.578 13.732 12.277 1.00 41.22 H new ATOM 0 HE2 PHE A 370 -10.842 14.681 8.542 1.00 12.23 H new ATOM 0 HZ PHE A 370 -11.965 13.084 10.006 1.00 54.01 H new ATOM 400 N GLN A 371 -7.959 17.769 11.534 1.00 41.02 N ATOM 401 CA GLN A 371 -6.738 17.138 11.061 1.00 11.34 C ATOM 402 C GLN A 371 -5.710 17.059 12.192 1.00 70.33 C ATOM 403 O GLN A 371 -4.770 16.268 12.126 1.00 10.10 O ATOM 404 CB GLN A 371 -6.168 17.884 9.853 1.00 21.12 C ATOM 405 CG GLN A 371 -5.809 19.326 10.218 1.00 24.31 C ATOM 406 CD GLN A 371 -6.933 20.287 9.826 1.00 22.24 C ATOM 407 OE1 GLN A 371 -7.047 20.719 8.691 1.00 13.44 O ATOM 408 NE2 GLN A 371 -7.754 20.595 10.826 1.00 4.43 N ATOM 0 H GLN A 371 -8.263 18.574 10.986 1.00 41.02 H new ATOM 0 HA GLN A 371 -6.976 16.124 10.741 1.00 11.34 H new ATOM 0 HB2 GLN A 371 -5.281 17.366 9.487 1.00 21.12 H new ATOM 0 HB3 GLN A 371 -6.897 17.881 9.042 1.00 21.12 H new ATOM 0 HG2 GLN A 371 -5.622 19.398 11.289 1.00 24.31 H new ATOM 0 HG3 GLN A 371 -4.887 19.614 9.713 1.00 24.31 H new ATOM 0 HE21 GLN A 371 -7.601 20.197 11.753 1.00 4.43 H new ATOM 0 HE22 GLN A 371 -8.537 21.229 10.666 1.00 4.43 H new ATOM 417 N LEU A 372 -5.923 17.888 13.202 1.00 15.53 N ATOM 418 CA LEU A 372 -5.027 17.922 14.345 1.00 31.14 C ATOM 419 C LEU A 372 -5.247 16.670 15.198 1.00 54.44 C ATOM 420 O LEU A 372 -6.373 16.258 15.474 1.00 14.12 O ATOM 421 CB LEU A 372 -5.195 19.231 15.120 1.00 61.32 C ATOM 422 CG LEU A 372 -4.486 19.304 16.474 1.00 52.52 C ATOM 423 CD1 LEU A 372 -5.333 18.657 17.572 1.00 44.23 C ATOM 424 CD2 LEU A 372 -3.086 18.693 16.394 1.00 71.21 C ATOM 0 H LEU A 372 -6.704 18.542 13.253 1.00 15.53 H new ATOM 0 HA LEU A 372 -3.988 17.905 14.015 1.00 31.14 H new ATOM 0 HB2 LEU A 372 -4.831 20.048 14.497 1.00 61.32 H new ATOM 0 HB3 LEU A 372 -6.260 19.402 15.280 1.00 61.32 H new ATOM 0 HG LEU A 372 -4.363 20.354 16.739 1.00 52.52 H new ATOM 0 HD11 LEU A 372 -4.806 18.722 18.524 1.00 44.23 H new ATOM 0 HD12 LEU A 372 -6.288 19.177 17.649 1.00 44.23 H new ATOM 0 HD13 LEU A 372 -5.509 17.610 17.326 1.00 44.23 H new ATOM 0 HD21 LEU A 372 -2.604 18.758 17.370 1.00 71.21 H new ATOM 0 HD22 LEU A 372 -3.162 17.647 16.096 1.00 71.21 H new ATOM 0 HD23 LEU A 372 -2.493 19.238 15.660 1.00 71.21 H new ATOM 436 N CYS A 373 -4.136 16.070 15.611 1.00 20.35 N ATOM 437 CA CYS A 373 -4.177 14.865 16.432 1.00 53.24 C ATOM 438 C CYS A 373 -4.632 15.189 17.852 1.00 71.51 C ATOM 439 O CYS A 373 -4.118 16.134 18.448 1.00 54.13 O ATOM 440 CB CYS A 373 -2.801 14.198 16.465 1.00 72.22 C ATOM 441 SG CYS A 373 -2.834 12.453 16.987 1.00 72.51 S ATOM 0 H CYS A 373 -3.196 16.398 15.391 1.00 20.35 H new ATOM 0 HA CYS A 373 -4.896 14.177 15.987 1.00 53.24 H new ATOM 0 HB2 CYS A 373 -2.354 14.261 15.473 1.00 72.22 H new ATOM 0 HB3 CYS A 373 -2.154 14.757 17.142 1.00 72.22 H new ATOM 446 N LYS A 374 -5.575 14.406 18.357 1.00 50.54 N ATOM 447 CA LYS A 374 -6.086 14.621 19.700 1.00 44.21 C ATOM 448 C LYS A 374 -5.252 13.810 20.694 1.00 43.14 C ATOM 449 O LYS A 374 -5.676 13.583 21.826 1.00 43.52 O ATOM 450 CB LYS A 374 -7.583 14.314 19.759 1.00 13.13 C ATOM 451 CG LYS A 374 -8.318 14.934 18.569 1.00 42.41 C ATOM 452 CD LYS A 374 -7.852 16.371 18.326 1.00 51.43 C ATOM 453 CE LYS A 374 -8.497 16.951 17.065 1.00 31.21 C ATOM 454 NZ LYS A 374 -8.774 15.877 16.085 1.00 52.45 N ATOM 0 H LYS A 374 -5.998 13.622 17.860 1.00 50.54 H new ATOM 0 HA LYS A 374 -5.988 15.669 19.982 1.00 44.21 H new ATOM 0 HB2 LYS A 374 -7.736 13.235 19.763 1.00 13.13 H new ATOM 0 HB3 LYS A 374 -8.000 14.699 20.689 1.00 13.13 H new ATOM 0 HG2 LYS A 374 -8.142 14.335 17.676 1.00 42.41 H new ATOM 0 HG3 LYS A 374 -9.392 14.922 18.754 1.00 42.41 H new ATOM 0 HD2 LYS A 374 -8.106 16.990 19.186 1.00 51.43 H new ATOM 0 HD3 LYS A 374 -6.767 16.393 18.227 1.00 51.43 H new ATOM 0 HE2 LYS A 374 -9.424 17.462 17.325 1.00 31.21 H new ATOM 0 HE3 LYS A 374 -7.836 17.696 16.621 1.00 31.21 H new ATOM 0 HZ1 LYS A 374 -9.196 16.289 15.228 1.00 52.45 H new ATOM 0 HZ2 LYS A 374 -7.886 15.396 15.837 1.00 52.45 H new ATOM 0 HZ3 LYS A 374 -9.435 15.190 16.500 1.00 52.45 H new ATOM 467 N ILE A 375 -4.081 13.395 20.234 1.00 65.11 N ATOM 468 CA ILE A 375 -3.183 12.614 21.068 1.00 32.22 C ATOM 469 C ILE A 375 -2.062 13.516 21.588 1.00 52.00 C ATOM 470 O ILE A 375 -1.678 13.426 22.753 1.00 11.20 O ATOM 471 CB ILE A 375 -2.681 11.384 20.310 1.00 61.25 C ATOM 472 CG1 ILE A 375 -3.846 10.483 19.892 1.00 5.43 C ATOM 473 CG2 ILE A 375 -1.634 10.625 21.128 1.00 71.25 C ATOM 474 CD1 ILE A 375 -3.387 9.424 18.888 1.00 52.43 C ATOM 0 H ILE A 375 -3.733 13.585 19.294 1.00 65.11 H new ATOM 0 HA ILE A 375 -3.712 12.228 21.939 1.00 32.22 H new ATOM 0 HB ILE A 375 -2.192 11.722 19.396 1.00 61.25 H new ATOM 0 HG12 ILE A 375 -4.268 9.997 20.771 1.00 5.43 H new ATOM 0 HG13 ILE A 375 -4.638 11.088 19.451 1.00 5.43 H new ATOM 0 HG21 ILE A 375 -1.294 9.755 20.566 1.00 71.25 H new ATOM 0 HG22 ILE A 375 -0.787 11.280 21.331 1.00 71.25 H new ATOM 0 HG23 ILE A 375 -2.075 10.299 22.070 1.00 71.25 H new ATOM 0 HD11 ILE A 375 -4.234 8.797 18.608 1.00 52.43 H new ATOM 0 HD12 ILE A 375 -2.988 9.914 18.000 1.00 52.43 H new ATOM 0 HD13 ILE A 375 -2.612 8.805 19.340 1.00 52.43 H new ATOM 486 N CYS A 376 -1.569 14.365 20.698 1.00 1.05 N ATOM 487 CA CYS A 376 -0.500 15.283 21.053 1.00 64.22 C ATOM 488 C CYS A 376 -1.038 16.711 20.948 1.00 0.10 C ATOM 489 O CYS A 376 -0.796 17.536 21.828 1.00 64.31 O ATOM 490 CB CYS A 376 0.738 15.074 20.178 1.00 22.21 C ATOM 491 SG CYS A 376 0.815 13.453 19.331 1.00 13.42 S ATOM 0 H CYS A 376 -1.890 14.436 19.732 1.00 1.05 H new ATOM 0 HA CYS A 376 -0.178 15.092 22.077 1.00 64.22 H new ATOM 0 HB2 CYS A 376 0.772 15.863 19.426 1.00 22.21 H new ATOM 0 HB3 CYS A 376 1.627 15.187 20.798 1.00 22.21 H new ATOM 496 N ALA A 377 -1.758 16.960 19.864 1.00 35.23 N ATOM 497 CA ALA A 377 -2.333 18.274 19.633 1.00 12.21 C ATOM 498 C ALA A 377 -1.214 19.266 19.311 1.00 63.03 C ATOM 499 O ALA A 377 -1.261 20.420 19.734 1.00 22.23 O ATOM 500 CB ALA A 377 -3.152 18.696 20.855 1.00 23.31 C ATOM 0 H ALA A 377 -1.956 16.274 19.136 1.00 35.23 H new ATOM 0 HA ALA A 377 -3.010 18.251 18.779 1.00 12.21 H new ATOM 0 HB1 ALA A 377 -3.583 19.682 20.681 1.00 23.31 H new ATOM 0 HB2 ALA A 377 -3.952 17.975 21.024 1.00 23.31 H new ATOM 0 HB3 ALA A 377 -2.505 18.732 21.732 1.00 23.31 H new ATOM 506 N GLU A 378 -0.233 18.780 18.564 1.00 52.21 N ATOM 507 CA GLU A 378 0.896 19.610 18.180 1.00 64.42 C ATOM 508 C GLU A 378 1.163 19.482 16.679 1.00 72.44 C ATOM 509 O GLU A 378 1.388 20.481 15.997 1.00 32.41 O ATOM 510 CB GLU A 378 2.143 19.248 18.990 1.00 14.35 C ATOM 511 CG GLU A 378 3.141 20.407 19.007 1.00 43.33 C ATOM 512 CD GLU A 378 4.321 20.102 19.932 1.00 60.42 C ATOM 513 OE1 GLU A 378 4.192 19.277 20.849 1.00 1.42 O ATOM 514 OE2 GLU A 378 5.403 20.754 19.670 1.00 15.31 O ATOM 0 H GLU A 378 -0.197 17.822 18.215 1.00 52.21 H new ATOM 0 HA GLU A 378 0.649 20.649 18.399 1.00 64.42 H new ATOM 0 HB2 GLU A 378 1.857 18.995 20.011 1.00 14.35 H new ATOM 0 HB3 GLU A 378 2.615 18.363 18.562 1.00 14.35 H new ATOM 0 HG2 GLU A 378 3.505 20.593 17.997 1.00 43.33 H new ATOM 0 HG3 GLU A 378 2.641 21.317 19.338 1.00 43.33 H new ATOM 522 N ASN A 379 1.129 18.244 16.207 1.00 35.13 N ATOM 523 CA ASN A 379 1.363 17.972 14.799 1.00 4.43 C ATOM 524 C ASN A 379 0.042 17.588 14.131 1.00 12.10 C ATOM 525 O ASN A 379 -0.973 17.419 14.806 1.00 42.25 O ATOM 526 CB ASN A 379 2.341 16.809 14.618 1.00 15.22 C ATOM 527 CG ASN A 379 2.085 15.712 15.653 1.00 34.12 C ATOM 528 OD1 ASN A 379 1.051 15.661 16.299 1.00 32.22 O ATOM 529 ND2 ASN A 379 3.081 14.839 15.774 1.00 11.31 N ATOM 0 H ASN A 379 0.943 17.418 16.775 1.00 35.13 H new ATOM 0 HA ASN A 379 1.784 18.871 14.348 1.00 4.43 H new ATOM 0 HB2 ASN A 379 2.240 16.397 13.614 1.00 15.22 H new ATOM 0 HB3 ASN A 379 3.365 17.172 14.713 1.00 15.22 H new ATOM 0 HD21 ASN A 379 3.006 14.069 16.439 1.00 11.31 H new ATOM 0 HD22 ASN A 379 3.920 14.940 15.202 1.00 11.31 H new ATOM 536 N ASP A 380 0.097 17.461 12.813 1.00 12.24 N ATOM 537 CA ASP A 380 -1.083 17.100 12.046 1.00 34.14 C ATOM 538 C ASP A 380 -1.089 15.588 11.810 1.00 53.45 C ATOM 539 O ASP A 380 -0.032 14.972 11.682 1.00 54.32 O ATOM 540 CB ASP A 380 -1.087 17.792 10.682 1.00 2.32 C ATOM 541 CG ASP A 380 0.281 17.890 10.003 1.00 73.31 C ATOM 542 OD1 ASP A 380 1.159 17.039 10.210 1.00 12.14 O ATOM 543 OD2 ASP A 380 0.430 18.905 9.221 1.00 71.31 O ATOM 0 H ASP A 380 0.940 17.602 12.257 1.00 12.24 H new ATOM 0 HA ASP A 380 -1.961 17.413 12.611 1.00 34.14 H new ATOM 0 HB2 ASP A 380 -1.767 17.255 10.021 1.00 2.32 H new ATOM 0 HB3 ASP A 380 -1.489 18.798 10.803 1.00 2.32 H new ATOM 549 N LYS A 381 -2.292 15.034 11.758 1.00 3.50 N ATOM 550 CA LYS A 381 -2.449 13.607 11.539 1.00 72.33 C ATOM 551 C LYS A 381 -1.723 13.210 10.252 1.00 25.52 C ATOM 552 O LYS A 381 -0.779 12.421 10.286 1.00 10.12 O ATOM 553 CB LYS A 381 -3.930 13.223 11.552 1.00 32.31 C ATOM 554 CG LYS A 381 -4.571 13.558 12.900 1.00 33.33 C ATOM 555 CD LYS A 381 -6.086 13.725 12.761 1.00 62.51 C ATOM 556 CE LYS A 381 -6.810 13.225 14.013 1.00 60.45 C ATOM 557 NZ LYS A 381 -8.272 13.190 13.786 1.00 32.22 N ATOM 0 H LYS A 381 -3.167 15.548 11.864 1.00 3.50 H new ATOM 0 HA LYS A 381 -1.990 13.044 12.352 1.00 72.33 H new ATOM 0 HB2 LYS A 381 -4.453 13.751 10.755 1.00 32.31 H new ATOM 0 HB3 LYS A 381 -4.035 12.157 11.350 1.00 32.31 H new ATOM 0 HG2 LYS A 381 -4.353 12.766 13.617 1.00 33.33 H new ATOM 0 HG3 LYS A 381 -4.135 14.475 13.296 1.00 33.33 H new ATOM 0 HD2 LYS A 381 -6.326 14.775 12.593 1.00 62.51 H new ATOM 0 HD3 LYS A 381 -6.438 13.174 11.889 1.00 62.51 H new ATOM 0 HE2 LYS A 381 -6.452 12.229 14.274 1.00 60.45 H new ATOM 0 HE3 LYS A 381 -6.582 13.876 14.857 1.00 60.45 H new ATOM 0 HZ1 LYS A 381 -8.724 13.966 14.311 1.00 32.22 H new ATOM 0 HZ2 LYS A 381 -8.468 13.299 12.771 1.00 32.22 H new ATOM 0 HZ3 LYS A 381 -8.653 12.280 14.117 1.00 32.22 H new ATOM 570 N ASP A 382 -2.190 13.774 9.148 1.00 24.13 N ATOM 571 CA ASP A 382 -1.596 13.489 7.853 1.00 21.51 C ATOM 572 C ASP A 382 -1.660 11.983 7.588 1.00 53.01 C ATOM 573 O ASP A 382 -0.821 11.439 6.873 1.00 63.43 O ATOM 574 CB ASP A 382 -0.127 13.913 7.815 1.00 25.22 C ATOM 575 CG ASP A 382 0.112 15.423 7.868 1.00 40.22 C ATOM 576 OD1 ASP A 382 -0.837 16.217 7.948 1.00 50.24 O ATOM 577 OD2 ASP A 382 1.350 15.781 7.823 1.00 45.42 O ATOM 0 H ASP A 382 -2.973 14.427 9.124 1.00 24.13 H new ATOM 0 HA ASP A 382 -2.151 14.045 7.098 1.00 21.51 H new ATOM 0 HB2 ASP A 382 0.391 13.449 8.654 1.00 25.22 H new ATOM 0 HB3 ASP A 382 0.325 13.521 6.904 1.00 25.22 H new ATOM 583 N VAL A 383 -2.665 11.353 8.179 1.00 61.12 N ATOM 584 CA VAL A 383 -2.850 9.921 8.015 1.00 22.04 C ATOM 585 C VAL A 383 -4.305 9.561 8.321 1.00 30.24 C ATOM 586 O VAL A 383 -5.090 10.420 8.721 1.00 61.50 O ATOM 587 CB VAL A 383 -1.849 9.161 8.889 1.00 55.11 C ATOM 588 CG1 VAL A 383 -2.428 8.895 10.280 1.00 2.11 C ATOM 589 CG2 VAL A 383 -1.415 7.857 8.217 1.00 21.00 C ATOM 0 H VAL A 383 -3.359 11.808 8.772 1.00 61.12 H new ATOM 0 HA VAL A 383 -2.652 9.625 6.985 1.00 22.04 H new ATOM 0 HB VAL A 383 -0.965 9.787 9.008 1.00 55.11 H new ATOM 0 HG11 VAL A 383 -1.697 8.354 10.881 1.00 2.11 H new ATOM 0 HG12 VAL A 383 -2.664 9.843 10.763 1.00 2.11 H new ATOM 0 HG13 VAL A 383 -3.336 8.298 10.188 1.00 2.11 H new ATOM 0 HG21 VAL A 383 -0.704 7.336 8.858 1.00 21.00 H new ATOM 0 HG22 VAL A 383 -2.287 7.224 8.053 1.00 21.00 H new ATOM 0 HG23 VAL A 383 -0.944 8.080 7.260 1.00 21.00 H new ATOM 599 N LYS A 384 -4.621 8.290 8.122 1.00 30.32 N ATOM 600 CA LYS A 384 -5.968 7.805 8.372 1.00 50.41 C ATOM 601 C LYS A 384 -5.927 6.293 8.601 1.00 54.14 C ATOM 602 O LYS A 384 -5.076 5.600 8.045 1.00 12.42 O ATOM 603 CB LYS A 384 -6.909 8.232 7.243 1.00 65.41 C ATOM 604 CG LYS A 384 -8.278 7.565 7.389 1.00 62.33 C ATOM 605 CD LYS A 384 -9.297 8.190 6.434 1.00 64.35 C ATOM 606 CE LYS A 384 -10.724 7.797 6.821 1.00 42.41 C ATOM 607 NZ LYS A 384 -11.693 8.337 5.841 1.00 34.43 N ATOM 0 H LYS A 384 -3.967 7.581 7.790 1.00 30.32 H new ATOM 0 HA LYS A 384 -6.373 8.254 9.279 1.00 50.41 H new ATOM 0 HB2 LYS A 384 -7.026 9.316 7.252 1.00 65.41 H new ATOM 0 HB3 LYS A 384 -6.472 7.967 6.280 1.00 65.41 H new ATOM 0 HG2 LYS A 384 -8.190 6.498 7.185 1.00 62.33 H new ATOM 0 HG3 LYS A 384 -8.628 7.666 8.416 1.00 62.33 H new ATOM 0 HD2 LYS A 384 -9.198 9.275 6.450 1.00 64.35 H new ATOM 0 HD3 LYS A 384 -9.091 7.866 5.414 1.00 64.35 H new ATOM 0 HE2 LYS A 384 -10.809 6.711 6.866 1.00 42.41 H new ATOM 0 HE3 LYS A 384 -10.955 8.176 7.817 1.00 42.41 H new ATOM 0 HZ1 LYS A 384 -12.657 8.061 6.118 1.00 34.43 H new ATOM 0 HZ2 LYS A 384 -11.622 9.374 5.818 1.00 34.43 H new ATOM 0 HZ3 LYS A 384 -11.481 7.955 4.897 1.00 34.43 H new ATOM 620 N ILE A 385 -6.858 5.825 9.419 1.00 12.53 N ATOM 621 CA ILE A 385 -6.940 4.408 9.728 1.00 25.03 C ATOM 622 C ILE A 385 -8.243 3.841 9.162 1.00 64.25 C ATOM 623 O ILE A 385 -9.292 4.475 9.256 1.00 75.34 O ATOM 624 CB ILE A 385 -6.770 4.177 11.231 1.00 35.33 C ATOM 625 CG1 ILE A 385 -5.547 4.923 11.767 1.00 41.23 C ATOM 626 CG2 ILE A 385 -6.716 2.682 11.553 1.00 33.12 C ATOM 627 CD1 ILE A 385 -4.289 4.058 11.666 1.00 72.30 C ATOM 0 H ILE A 385 -7.563 6.403 9.878 1.00 12.53 H new ATOM 0 HA ILE A 385 -6.123 3.866 9.251 1.00 25.03 H new ATOM 0 HB ILE A 385 -7.643 4.585 11.740 1.00 35.33 H new ATOM 0 HG12 ILE A 385 -5.404 5.846 11.205 1.00 41.23 H new ATOM 0 HG13 ILE A 385 -5.716 5.206 12.806 1.00 41.23 H new ATOM 0 HG21 ILE A 385 -6.595 2.545 12.628 1.00 33.12 H new ATOM 0 HG22 ILE A 385 -7.642 2.206 11.229 1.00 33.12 H new ATOM 0 HG23 ILE A 385 -5.873 2.228 11.032 1.00 33.12 H new ATOM 0 HD11 ILE A 385 -3.434 4.612 12.054 1.00 72.30 H new ATOM 0 HD12 ILE A 385 -4.426 3.147 12.249 1.00 72.30 H new ATOM 0 HD13 ILE A 385 -4.109 3.797 10.623 1.00 72.30 H new ATOM 639 N GLU A 386 -8.132 2.653 8.585 1.00 33.25 N ATOM 640 CA GLU A 386 -9.289 1.993 8.003 1.00 22.05 C ATOM 641 C GLU A 386 -9.278 0.502 8.346 1.00 25.12 C ATOM 642 O GLU A 386 -8.238 -0.048 8.708 1.00 53.30 O ATOM 643 CB GLU A 386 -9.338 2.207 6.489 1.00 1.24 C ATOM 644 CG GLU A 386 -10.244 3.387 6.132 1.00 74.34 C ATOM 645 CD GLU A 386 -11.463 2.919 5.334 1.00 74.00 C ATOM 646 OE1 GLU A 386 -11.321 2.126 4.392 1.00 63.42 O ATOM 647 OE2 GLU A 386 -12.591 3.409 5.724 1.00 31.14 O ATOM 0 H GLU A 386 -7.259 2.131 8.508 1.00 33.25 H new ATOM 0 HA GLU A 386 -10.189 2.437 8.429 1.00 22.05 H new ATOM 0 HB2 GLU A 386 -8.332 2.389 6.111 1.00 1.24 H new ATOM 0 HB3 GLU A 386 -9.703 1.303 6.002 1.00 1.24 H new ATOM 0 HG2 GLU A 386 -10.571 3.888 7.043 1.00 74.34 H new ATOM 0 HG3 GLU A 386 -9.683 4.118 5.550 1.00 74.34 H new ATOM 655 N PRO A 387 -10.477 -0.127 8.217 1.00 44.31 N ATOM 656 CA PRO A 387 -11.659 0.598 7.783 1.00 44.23 C ATOM 657 C PRO A 387 -12.204 1.482 8.907 1.00 62.43 C ATOM 658 O PRO A 387 -13.100 2.303 8.716 1.00 72.11 O ATOM 659 CB PRO A 387 -12.640 -0.476 7.343 1.00 65.32 C ATOM 660 CG PRO A 387 -12.154 -1.769 7.978 1.00 60.22 C ATOM 661 CD PRO A 387 -10.738 -1.539 8.480 1.00 41.14 C ATOM 0 HA PRO A 387 -11.452 1.289 6.965 1.00 44.23 H new ATOM 0 HB2 PRO A 387 -13.652 -0.237 7.669 1.00 65.32 H new ATOM 0 HB3 PRO A 387 -12.666 -0.560 6.257 1.00 65.32 H new ATOM 0 HG2 PRO A 387 -12.808 -2.060 8.800 1.00 60.22 H new ATOM 0 HG3 PRO A 387 -12.174 -2.582 7.252 1.00 60.22 H new ATOM 0 HD2 PRO A 387 -10.653 -1.766 9.543 1.00 41.14 H new ATOM 0 HD3 PRO A 387 -10.024 -2.177 7.959 1.00 41.14 H new ATOM 669 N CYS A 388 -11.637 1.293 10.094 1.00 11.25 N ATOM 670 CA CYS A 388 -12.046 2.057 11.267 1.00 62.11 C ATOM 671 C CYS A 388 -12.383 3.497 10.889 1.00 25.51 C ATOM 672 O CYS A 388 -13.561 3.846 10.840 1.00 1.04 O ATOM 673 CB CYS A 388 -10.940 2.041 12.323 1.00 5.03 C ATOM 674 SG CYS A 388 -11.228 3.177 13.718 1.00 3.22 S ATOM 0 H CYS A 388 -10.893 0.617 10.269 1.00 11.25 H new ATOM 0 HA CYS A 388 -12.940 1.590 11.680 1.00 62.11 H new ATOM 0 HB2 CYS A 388 -10.836 1.027 12.709 1.00 5.03 H new ATOM 0 HB3 CYS A 388 -9.994 2.299 11.847 1.00 5.03 H new ATOM 679 N GLY A 389 -11.353 4.291 10.634 1.00 71.52 N ATOM 680 CA GLY A 389 -11.554 5.681 10.265 1.00 52.52 C ATOM 681 C GLY A 389 -10.864 6.618 11.259 1.00 72.21 C ATOM 682 O GLY A 389 -11.034 7.834 11.192 1.00 12.22 O ATOM 0 H GLY A 389 -10.377 3.998 10.676 1.00 71.52 H new ATOM 0 HA2 GLY A 389 -11.162 5.855 9.263 1.00 52.52 H new ATOM 0 HA3 GLY A 389 -12.621 5.902 10.232 1.00 52.52 H new ATOM 686 N HIS A 390 -10.100 6.015 12.158 1.00 41.12 N ATOM 687 CA HIS A 390 -9.383 6.780 13.164 1.00 34.24 C ATOM 688 C HIS A 390 -8.151 7.430 12.533 1.00 2.55 C ATOM 689 O HIS A 390 -7.385 6.770 11.833 1.00 32.33 O ATOM 690 CB HIS A 390 -9.039 5.903 14.370 1.00 74.21 C ATOM 691 CG HIS A 390 -10.226 5.561 15.239 1.00 70.50 C ATOM 692 ND1 HIS A 390 -10.231 4.487 16.112 1.00 21.30 N ATOM 693 CD2 HIS A 390 -11.444 6.161 15.361 1.00 54.44 C ATOM 694 CE1 HIS A 390 -11.405 4.452 16.725 1.00 23.24 C ATOM 695 NE2 HIS A 390 -12.156 5.490 16.258 1.00 4.20 N ATOM 0 H HIS A 390 -9.962 5.006 12.211 1.00 41.12 H new ATOM 0 HA HIS A 390 -10.020 7.580 13.540 1.00 34.24 H new ATOM 0 HB2 HIS A 390 -8.583 4.979 14.016 1.00 74.21 H new ATOM 0 HB3 HIS A 390 -8.292 6.415 14.977 1.00 74.21 H new ATOM 0 HD2 HIS A 390 -11.774 7.035 14.819 1.00 54.44 H new ATOM 0 HE1 HIS A 390 -11.713 3.728 17.465 1.00 23.24 H new ATOM 0 HE2 HIS A 390 -13.107 5.714 16.550 1.00 4.20 H new ATOM 703 N LEU A 391 -7.997 8.718 12.804 1.00 13.32 N ATOM 704 CA LEU A 391 -6.871 9.466 12.272 1.00 63.12 C ATOM 705 C LEU A 391 -5.823 9.653 13.371 1.00 13.42 C ATOM 706 O LEU A 391 -6.095 9.396 14.543 1.00 72.11 O ATOM 707 CB LEU A 391 -7.347 10.778 11.646 1.00 44.35 C ATOM 708 CG LEU A 391 -8.680 10.720 10.897 1.00 63.40 C ATOM 709 CD1 LEU A 391 -8.716 9.531 9.935 1.00 72.15 C ATOM 710 CD2 LEU A 391 -9.857 10.702 11.874 1.00 1.31 C ATOM 0 H LEU A 391 -8.634 9.263 13.385 1.00 13.32 H new ATOM 0 HA LEU A 391 -6.392 8.911 11.466 1.00 63.12 H new ATOM 0 HB2 LEU A 391 -7.429 11.525 12.435 1.00 44.35 H new ATOM 0 HB3 LEU A 391 -6.580 11.127 10.955 1.00 44.35 H new ATOM 0 HG LEU A 391 -8.774 11.624 10.296 1.00 63.40 H new ATOM 0 HD11 LEU A 391 -9.674 9.512 9.415 1.00 72.15 H new ATOM 0 HD12 LEU A 391 -7.910 9.627 9.207 1.00 72.15 H new ATOM 0 HD13 LEU A 391 -8.590 8.605 10.496 1.00 72.15 H new ATOM 0 HD21 LEU A 391 -10.792 10.661 11.316 1.00 1.31 H new ATOM 0 HD22 LEU A 391 -9.781 9.827 12.520 1.00 1.31 H new ATOM 0 HD23 LEU A 391 -9.838 11.605 12.484 1.00 1.31 H new ATOM 722 N MET A 392 -4.648 10.100 12.954 1.00 2.33 N ATOM 723 CA MET A 392 -3.558 10.325 13.889 1.00 13.31 C ATOM 724 C MET A 392 -2.318 10.857 13.168 1.00 52.40 C ATOM 725 O MET A 392 -2.295 10.934 11.941 1.00 43.34 O ATOM 726 CB MET A 392 -3.214 9.013 14.597 1.00 42.40 C ATOM 727 CG MET A 392 -2.671 7.982 13.606 1.00 74.42 C ATOM 728 SD MET A 392 -2.683 6.358 14.347 1.00 3.03 S ATOM 729 CE MET A 392 -4.435 6.153 14.618 1.00 11.11 C ATOM 0 H MET A 392 -4.426 10.313 11.981 1.00 2.33 H new ATOM 0 HA MET A 392 -3.878 11.069 14.619 1.00 13.31 H new ATOM 0 HB2 MET A 392 -2.474 9.199 15.376 1.00 42.40 H new ATOM 0 HB3 MET A 392 -4.102 8.617 15.089 1.00 42.40 H new ATOM 0 HG2 MET A 392 -3.277 7.982 12.700 1.00 74.42 H new ATOM 0 HG3 MET A 392 -1.656 8.249 13.311 1.00 74.42 H new ATOM 0 HE1 MET A 392 -4.634 6.103 15.688 1.00 11.11 H new ATOM 0 HE2 MET A 392 -4.971 6.999 14.188 1.00 11.11 H new ATOM 0 HE3 MET A 392 -4.771 5.231 14.143 1.00 11.11 H new ATOM 739 N CYS A 393 -1.318 11.211 13.961 1.00 2.14 N ATOM 740 CA CYS A 393 -0.077 11.734 13.414 1.00 34.21 C ATOM 741 C CYS A 393 0.972 10.622 13.456 1.00 63.45 C ATOM 742 O CYS A 393 1.330 10.141 14.530 1.00 62.24 O ATOM 743 CB CYS A 393 0.387 12.986 14.161 1.00 23.52 C ATOM 744 SG CYS A 393 0.160 12.925 15.976 1.00 22.40 S ATOM 0 H CYS A 393 -1.341 11.146 14.979 1.00 2.14 H new ATOM 0 HA CYS A 393 -0.234 12.045 12.381 1.00 34.21 H new ATOM 0 HB2 CYS A 393 1.443 13.150 13.946 1.00 23.52 H new ATOM 0 HB3 CYS A 393 -0.155 13.847 13.770 1.00 23.52 H new ATOM 749 N THR A 394 1.436 10.245 12.273 1.00 3.20 N ATOM 750 CA THR A 394 2.438 9.199 12.161 1.00 70.53 C ATOM 751 C THR A 394 3.462 9.317 13.291 1.00 45.43 C ATOM 752 O THR A 394 3.622 8.395 14.088 1.00 25.50 O ATOM 753 CB THR A 394 3.059 9.287 10.765 1.00 23.44 C ATOM 754 OG1 THR A 394 1.960 9.601 9.915 1.00 1.41 O ATOM 755 CG2 THR A 394 3.548 7.929 10.255 1.00 2.44 C ATOM 0 H THR A 394 1.136 10.645 11.384 1.00 3.20 H new ATOM 0 HA THR A 394 1.992 8.211 12.272 1.00 70.53 H new ATOM 0 HB THR A 394 3.892 9.990 10.782 1.00 23.44 H new ATOM 0 HG1 THR A 394 2.274 9.678 8.990 1.00 1.41 H new ATOM 0 HG21 THR A 394 3.980 8.048 9.261 1.00 2.44 H new ATOM 0 HG22 THR A 394 4.304 7.536 10.934 1.00 2.44 H new ATOM 0 HG23 THR A 394 2.709 7.235 10.206 1.00 2.44 H new ATOM 763 N SER A 395 4.130 10.462 13.323 1.00 33.54 N ATOM 764 CA SER A 395 5.134 10.713 14.343 1.00 44.15 C ATOM 765 C SER A 395 4.665 10.157 15.688 1.00 24.34 C ATOM 766 O SER A 395 5.450 9.563 16.426 1.00 3.45 O ATOM 767 CB SER A 395 5.435 12.208 14.462 1.00 1.51 C ATOM 768 OG SER A 395 6.325 12.657 13.443 1.00 11.24 O ATOM 0 H SER A 395 3.995 11.225 12.660 1.00 33.54 H new ATOM 0 HA SER A 395 6.054 10.207 14.050 1.00 44.15 H new ATOM 0 HB2 SER A 395 4.503 12.771 14.403 1.00 1.51 H new ATOM 0 HB3 SER A 395 5.871 12.413 15.440 1.00 1.51 H new ATOM 0 HG SER A 395 6.491 13.617 13.553 1.00 11.24 H new ATOM 774 N CYS A 396 3.387 10.368 15.967 1.00 44.12 N ATOM 775 CA CYS A 396 2.804 9.895 17.211 1.00 43.12 C ATOM 776 C CYS A 396 2.634 8.378 17.115 1.00 31.31 C ATOM 777 O CYS A 396 3.042 7.646 18.015 1.00 21.44 O ATOM 778 CB CYS A 396 1.482 10.600 17.519 1.00 33.44 C ATOM 779 SG CYS A 396 0.600 9.966 18.992 1.00 20.34 S ATOM 0 H CYS A 396 2.739 10.860 15.352 1.00 44.12 H new ATOM 0 HA CYS A 396 3.469 10.133 18.042 1.00 43.12 H new ATOM 0 HB2 CYS A 396 1.677 11.663 17.659 1.00 33.44 H new ATOM 0 HB3 CYS A 396 0.827 10.508 16.653 1.00 33.44 H new ATOM 784 N LEU A 397 2.030 7.950 16.016 1.00 44.21 N ATOM 785 CA LEU A 397 1.801 6.533 15.791 1.00 50.11 C ATOM 786 C LEU A 397 3.051 5.748 16.193 1.00 44.41 C ATOM 787 O LEU A 397 2.966 4.785 16.952 1.00 22.45 O ATOM 788 CB LEU A 397 1.357 6.285 14.348 1.00 35.21 C ATOM 789 CG LEU A 397 1.255 4.819 13.920 1.00 14.24 C ATOM 790 CD1 LEU A 397 2.617 4.281 13.480 1.00 23.55 C ATOM 791 CD2 LEU A 397 0.632 3.967 15.028 1.00 73.01 C ATOM 0 H LEU A 397 1.692 8.560 15.272 1.00 44.21 H new ATOM 0 HA LEU A 397 0.984 6.175 16.418 1.00 50.11 H new ATOM 0 HB2 LEU A 397 0.384 6.754 14.203 1.00 35.21 H new ATOM 0 HB3 LEU A 397 2.057 6.790 13.682 1.00 35.21 H new ATOM 0 HG LEU A 397 0.592 4.760 13.057 1.00 14.24 H new ATOM 0 HD11 LEU A 397 2.517 3.238 13.181 1.00 23.55 H new ATOM 0 HD12 LEU A 397 2.984 4.866 12.637 1.00 23.55 H new ATOM 0 HD13 LEU A 397 3.322 4.355 14.308 1.00 23.55 H new ATOM 0 HD21 LEU A 397 0.571 2.930 14.699 1.00 73.01 H new ATOM 0 HD22 LEU A 397 1.250 4.027 15.924 1.00 73.01 H new ATOM 0 HD23 LEU A 397 -0.369 4.336 15.252 1.00 73.01 H new ATOM 803 N THR A 398 4.183 6.190 15.665 1.00 5.33 N ATOM 804 CA THR A 398 5.450 5.541 15.960 1.00 52.43 C ATOM 805 C THR A 398 5.664 5.451 17.472 1.00 41.42 C ATOM 806 O THR A 398 6.118 4.426 17.978 1.00 15.33 O ATOM 807 CB THR A 398 6.555 6.311 15.234 1.00 23.10 C ATOM 808 OG1 THR A 398 6.604 5.712 13.942 1.00 43.21 O ATOM 809 CG2 THR A 398 7.941 6.040 15.823 1.00 21.21 C ATOM 0 H THR A 398 4.250 6.989 15.035 1.00 5.33 H new ATOM 0 HA THR A 398 5.461 4.512 15.601 1.00 52.43 H new ATOM 0 HB THR A 398 6.343 7.379 15.280 1.00 23.10 H new ATOM 0 HG1 THR A 398 7.294 6.152 13.403 1.00 43.21 H new ATOM 0 HG21 THR A 398 8.689 6.610 15.272 1.00 21.21 H new ATOM 0 HG22 THR A 398 7.956 6.340 16.871 1.00 21.21 H new ATOM 0 HG23 THR A 398 8.167 4.976 15.747 1.00 21.21 H new ATOM 817 N ALA A 399 5.328 6.538 18.151 1.00 52.44 N ATOM 818 CA ALA A 399 5.478 6.595 19.595 1.00 53.22 C ATOM 819 C ALA A 399 4.668 5.464 20.232 1.00 11.20 C ATOM 820 O ALA A 399 4.994 5.002 21.324 1.00 31.42 O ATOM 821 CB ALA A 399 5.049 7.975 20.099 1.00 63.22 C ATOM 0 H ALA A 399 4.952 7.386 17.728 1.00 52.44 H new ATOM 0 HA ALA A 399 6.521 6.454 19.879 1.00 53.22 H new ATOM 0 HB1 ALA A 399 5.161 8.018 21.182 1.00 63.22 H new ATOM 0 HB2 ALA A 399 5.673 8.741 19.639 1.00 63.22 H new ATOM 0 HB3 ALA A 399 4.006 8.151 19.835 1.00 63.22 H new ATOM 827 N TRP A 400 3.628 5.052 19.523 1.00 72.35 N ATOM 828 CA TRP A 400 2.769 3.984 20.005 1.00 32.32 C ATOM 829 C TRP A 400 3.395 2.650 19.592 1.00 2.24 C ATOM 830 O TRP A 400 3.765 1.844 20.444 1.00 23.14 O ATOM 831 CB TRP A 400 1.338 4.157 19.492 1.00 61.53 C ATOM 832 CG TRP A 400 0.551 2.848 19.389 1.00 4.20 C ATOM 833 CD1 TRP A 400 0.152 2.211 18.280 1.00 30.42 C ATOM 834 CD2 TRP A 400 0.082 2.038 20.488 1.00 44.52 C ATOM 835 NE1 TRP A 400 -0.538 1.054 18.582 1.00 25.15 N ATOM 836 CE2 TRP A 400 -0.581 0.946 19.968 1.00 61.14 C ATOM 837 CE3 TRP A 400 0.215 2.223 21.875 1.00 14.03 C ATOM 838 CZ2 TRP A 400 -1.165 -0.047 20.764 1.00 45.04 C ATOM 839 CZ3 TRP A 400 -0.374 1.222 22.657 1.00 32.11 C ATOM 840 CH2 TRP A 400 -1.046 0.116 22.149 1.00 44.01 C ATOM 0 H TRP A 400 3.360 5.439 18.618 1.00 72.35 H new ATOM 0 HA TRP A 400 2.694 4.011 21.092 1.00 32.32 H new ATOM 0 HB2 TRP A 400 0.805 4.838 20.155 1.00 61.53 H new ATOM 0 HB3 TRP A 400 1.370 4.628 18.510 1.00 61.53 H new ATOM 0 HD1 TRP A 400 0.346 2.559 17.276 1.00 30.42 H new ATOM 0 HE1 TRP A 400 -0.942 0.399 17.912 1.00 25.15 H new ATOM 0 HE3 TRP A 400 0.730 3.070 22.303 1.00 14.03 H new ATOM 0 HZ2 TRP A 400 -1.679 -0.893 20.333 1.00 45.04 H new ATOM 0 HZ3 TRP A 400 -0.301 1.316 23.730 1.00 32.11 H new ATOM 0 HH2 TRP A 400 -1.474 -0.614 22.820 1.00 44.01 H new ATOM 851 N GLN A 401 3.495 2.459 18.285 1.00 15.11 N ATOM 852 CA GLN A 401 4.070 1.237 17.749 1.00 53.21 C ATOM 853 C GLN A 401 5.477 1.023 18.309 1.00 65.05 C ATOM 854 O GLN A 401 6.035 -0.067 18.195 1.00 21.50 O ATOM 855 CB GLN A 401 4.086 1.264 16.219 1.00 10.13 C ATOM 856 CG GLN A 401 2.692 1.557 15.661 1.00 12.12 C ATOM 857 CD GLN A 401 2.025 0.278 15.153 1.00 72.54 C ATOM 858 OE1 GLN A 401 2.668 -0.636 14.663 1.00 61.21 O ATOM 859 NE2 GLN A 401 0.703 0.263 15.296 1.00 54.14 N ATOM 0 H GLN A 401 3.187 3.130 17.581 1.00 15.11 H new ATOM 0 HA GLN A 401 3.446 0.398 18.058 1.00 53.21 H new ATOM 0 HB2 GLN A 401 4.787 2.023 15.872 1.00 10.13 H new ATOM 0 HB3 GLN A 401 4.440 0.306 15.839 1.00 10.13 H new ATOM 0 HG2 GLN A 401 2.074 2.010 16.436 1.00 12.12 H new ATOM 0 HG3 GLN A 401 2.766 2.280 14.849 1.00 12.12 H new ATOM 0 HE21 GLN A 401 0.226 1.062 15.715 1.00 54.14 H new ATOM 0 HE22 GLN A 401 0.166 -0.547 14.987 1.00 54.14 H new ATOM 868 N GLU A 402 6.012 2.081 18.901 1.00 54.04 N ATOM 869 CA GLU A 402 7.344 2.022 19.478 1.00 13.52 C ATOM 870 C GLU A 402 7.584 0.655 20.122 1.00 54.24 C ATOM 871 O GLU A 402 8.459 -0.093 19.690 1.00 43.12 O ATOM 872 CB GLU A 402 7.552 3.149 20.492 1.00 51.53 C ATOM 873 CG GLU A 402 8.382 4.284 19.887 1.00 32.03 C ATOM 874 CD GLU A 402 9.879 4.024 20.067 1.00 71.13 C ATOM 875 OE1 GLU A 402 10.337 3.794 21.196 1.00 43.42 O ATOM 876 OE2 GLU A 402 10.573 4.065 18.980 1.00 4.14 O ATOM 0 H GLU A 402 5.547 2.984 18.993 1.00 54.04 H new ATOM 0 HA GLU A 402 8.072 2.158 18.678 1.00 13.52 H new ATOM 0 HB2 GLU A 402 6.585 3.534 20.817 1.00 51.53 H new ATOM 0 HB3 GLU A 402 8.054 2.759 21.377 1.00 51.53 H new ATOM 0 HG2 GLU A 402 8.151 4.383 18.826 1.00 32.03 H new ATOM 0 HG3 GLU A 402 8.114 5.228 20.361 1.00 32.03 H new ATOM 884 N SER A 403 6.790 0.370 21.144 1.00 42.42 N ATOM 885 CA SER A 403 6.905 -0.894 21.851 1.00 4.30 C ATOM 886 C SER A 403 5.577 -1.650 21.790 1.00 30.30 C ATOM 887 O SER A 403 5.550 -2.875 21.905 1.00 11.44 O ATOM 888 CB SER A 403 7.325 -0.675 23.306 1.00 41.51 C ATOM 889 OG SER A 403 7.590 -1.904 23.976 1.00 1.10 O ATOM 0 H SER A 403 6.065 0.993 21.499 1.00 42.42 H new ATOM 0 HA SER A 403 7.677 -1.489 21.364 1.00 4.30 H new ATOM 0 HB2 SER A 403 8.215 -0.047 23.336 1.00 41.51 H new ATOM 0 HB3 SER A 403 6.537 -0.137 23.834 1.00 41.51 H new ATOM 0 HG SER A 403 7.856 -1.721 24.901 1.00 1.10 H new ATOM 895 N ASP A 404 4.507 -0.890 21.609 1.00 43.22 N ATOM 896 CA ASP A 404 3.179 -1.473 21.531 1.00 32.11 C ATOM 897 C ASP A 404 2.933 -1.984 20.110 1.00 41.21 C ATOM 898 O ASP A 404 3.299 -3.111 19.779 1.00 4.43 O ATOM 899 CB ASP A 404 2.102 -0.435 21.853 1.00 31.32 C ATOM 900 CG ASP A 404 1.903 -0.151 23.343 1.00 32.14 C ATOM 901 OD1 ASP A 404 1.264 -0.933 24.063 1.00 24.50 O ATOM 902 OD2 ASP A 404 2.443 0.941 23.767 1.00 53.31 O ATOM 0 H ASP A 404 4.533 0.125 21.514 1.00 43.22 H new ATOM 0 HA ASP A 404 3.125 -2.286 22.255 1.00 32.11 H new ATOM 0 HB2 ASP A 404 2.357 0.499 21.351 1.00 31.32 H new ATOM 0 HB3 ASP A 404 1.155 -0.774 21.433 1.00 31.32 H new ATOM 908 N GLY A 405 2.315 -1.130 19.307 1.00 34.23 N ATOM 909 CA GLY A 405 2.016 -1.481 17.929 1.00 14.12 C ATOM 910 C GLY A 405 0.881 -2.505 17.858 1.00 50.22 C ATOM 911 O GLY A 405 0.841 -3.330 16.946 1.00 22.04 O ATOM 0 H GLY A 405 2.013 -0.196 19.584 1.00 34.23 H new ATOM 0 HA2 GLY A 405 1.738 -0.585 17.374 1.00 14.12 H new ATOM 0 HA3 GLY A 405 2.908 -1.887 17.452 1.00 14.12 H new ATOM 915 N GLN A 406 -0.014 -2.418 18.831 1.00 23.01 N ATOM 916 CA GLN A 406 -1.146 -3.327 18.890 1.00 10.31 C ATOM 917 C GLN A 406 -2.322 -2.762 18.090 1.00 21.14 C ATOM 918 O GLN A 406 -3.427 -2.629 18.615 1.00 43.05 O ATOM 919 CB GLN A 406 -1.551 -3.604 20.339 1.00 74.40 C ATOM 920 CG GLN A 406 -0.929 -4.909 20.842 1.00 54.40 C ATOM 921 CD GLN A 406 -1.552 -5.335 22.173 1.00 71.41 C ATOM 922 OE1 GLN A 406 -2.529 -4.773 22.639 1.00 32.12 O ATOM 923 NE2 GLN A 406 -0.934 -6.358 22.756 1.00 22.41 N ATOM 0 H GLN A 406 0.022 -1.732 19.585 1.00 23.01 H new ATOM 0 HA GLN A 406 -0.850 -4.276 18.442 1.00 10.31 H new ATOM 0 HB2 GLN A 406 -1.233 -2.777 20.974 1.00 74.40 H new ATOM 0 HB3 GLN A 406 -2.637 -3.663 20.412 1.00 74.40 H new ATOM 0 HG2 GLN A 406 -1.074 -5.695 20.100 1.00 54.40 H new ATOM 0 HG3 GLN A 406 0.146 -4.780 20.964 1.00 54.40 H new ATOM 0 HE21 GLN A 406 -0.120 -6.783 22.311 1.00 22.41 H new ATOM 0 HE22 GLN A 406 -1.274 -6.718 23.648 1.00 22.41 H new ATOM 932 N GLY A 407 -2.044 -2.445 16.834 1.00 32.33 N ATOM 933 CA GLY A 407 -3.065 -1.898 15.957 1.00 33.11 C ATOM 934 C GLY A 407 -3.408 -0.458 16.345 1.00 25.34 C ATOM 935 O GLY A 407 -2.659 0.185 17.079 1.00 11.15 O ATOM 0 H GLY A 407 -1.126 -2.557 16.403 1.00 32.33 H new ATOM 0 HA2 GLY A 407 -2.716 -1.927 14.925 1.00 33.11 H new ATOM 0 HA3 GLY A 407 -3.962 -2.515 16.008 1.00 33.11 H new ATOM 939 N CYS A 408 -4.539 0.005 15.835 1.00 10.33 N ATOM 940 CA CYS A 408 -4.990 1.357 16.120 1.00 44.25 C ATOM 941 C CYS A 408 -5.082 1.523 17.638 1.00 53.54 C ATOM 942 O CYS A 408 -5.812 0.790 18.303 1.00 63.44 O ATOM 943 CB CYS A 408 -6.319 1.667 15.429 1.00 13.12 C ATOM 944 SG CYS A 408 -6.616 3.442 15.096 1.00 21.05 S ATOM 0 H CYS A 408 -5.157 -0.531 15.226 1.00 10.33 H new ATOM 0 HA CYS A 408 -4.273 2.074 15.721 1.00 44.25 H new ATOM 0 HB2 CYS A 408 -6.357 1.123 14.485 1.00 13.12 H new ATOM 0 HB3 CYS A 408 -7.132 1.287 16.048 1.00 13.12 H new ATOM 949 N PRO A 409 -4.313 2.518 18.155 1.00 43.31 N ATOM 950 CA PRO A 409 -4.301 2.790 19.582 1.00 11.32 C ATOM 951 C PRO A 409 -5.581 3.509 20.014 1.00 71.31 C ATOM 952 O PRO A 409 -5.748 3.834 21.188 1.00 15.42 O ATOM 953 CB PRO A 409 -3.048 3.618 19.815 1.00 42.23 C ATOM 954 CG PRO A 409 -2.655 4.171 18.454 1.00 20.13 C ATOM 955 CD PRO A 409 -3.436 3.407 17.398 1.00 55.33 C ATOM 0 HA PRO A 409 -4.279 1.881 20.183 1.00 11.32 H new ATOM 0 HB2 PRO A 409 -3.239 4.424 20.524 1.00 42.23 H new ATOM 0 HB3 PRO A 409 -2.248 3.007 20.234 1.00 42.23 H new ATOM 0 HG2 PRO A 409 -2.877 5.237 18.396 1.00 20.13 H new ATOM 0 HG3 PRO A 409 -1.583 4.059 18.291 1.00 20.13 H new ATOM 0 HD2 PRO A 409 -4.010 4.083 16.764 1.00 55.33 H new ATOM 0 HD3 PRO A 409 -2.771 2.844 16.744 1.00 55.33 H new ATOM 963 N PHE A 410 -6.452 3.735 19.041 1.00 23.31 N ATOM 964 CA PHE A 410 -7.712 4.408 19.306 1.00 44.42 C ATOM 965 C PHE A 410 -8.808 3.402 19.661 1.00 62.33 C ATOM 966 O PHE A 410 -9.660 3.678 20.503 1.00 11.14 O ATOM 967 CB PHE A 410 -8.105 5.141 18.022 1.00 51.51 C ATOM 968 CG PHE A 410 -7.442 6.511 17.859 1.00 72.20 C ATOM 969 CD1 PHE A 410 -6.133 6.594 17.499 1.00 53.13 C ATOM 970 CD2 PHE A 410 -8.162 7.645 18.075 1.00 64.45 C ATOM 971 CE1 PHE A 410 -5.518 7.865 17.348 1.00 71.13 C ATOM 972 CE2 PHE A 410 -7.546 8.915 17.923 1.00 13.45 C ATOM 973 CZ PHE A 410 -6.237 8.999 17.563 1.00 35.32 C ATOM 0 H PHE A 410 -6.310 3.464 18.068 1.00 23.31 H new ATOM 0 HA PHE A 410 -7.599 5.092 20.147 1.00 44.42 H new ATOM 0 HB2 PHE A 410 -7.844 4.518 17.166 1.00 51.51 H new ATOM 0 HB3 PHE A 410 -9.187 5.268 18.005 1.00 51.51 H new ATOM 0 HD1 PHE A 410 -5.562 5.694 17.328 1.00 53.13 H new ATOM 0 HD2 PHE A 410 -9.201 7.579 18.362 1.00 64.45 H new ATOM 0 HE1 PHE A 410 -4.479 7.931 17.062 1.00 71.13 H new ATOM 0 HE2 PHE A 410 -8.117 9.815 18.093 1.00 13.45 H new ATOM 0 HZ PHE A 410 -5.769 9.966 17.448 1.00 35.32 H new ATOM 983 N CYS A 411 -8.750 2.255 19.000 1.00 60.12 N ATOM 984 CA CYS A 411 -9.727 1.206 19.235 1.00 73.40 C ATOM 985 C CYS A 411 -8.975 -0.096 19.522 1.00 14.53 C ATOM 986 O CYS A 411 -9.566 -1.174 19.507 1.00 70.43 O ATOM 987 CB CYS A 411 -10.693 1.058 18.058 1.00 55.42 C ATOM 988 SG CYS A 411 -9.980 1.468 16.423 1.00 24.43 S ATOM 0 H CYS A 411 -8.041 2.029 18.302 1.00 60.12 H new ATOM 0 HA CYS A 411 -10.343 1.467 20.096 1.00 73.40 H new ATOM 0 HB2 CYS A 411 -11.058 0.031 18.032 1.00 55.42 H new ATOM 0 HB3 CYS A 411 -11.557 1.699 18.233 1.00 55.42 H new ATOM 993 N ARG A 412 -7.683 0.049 19.778 1.00 54.11 N ATOM 994 CA ARG A 412 -6.845 -1.101 20.068 1.00 24.43 C ATOM 995 C ARG A 412 -7.242 -2.285 19.184 1.00 13.01 C ATOM 996 O ARG A 412 -7.430 -3.397 19.676 1.00 5.41 O ATOM 997 CB ARG A 412 -6.960 -1.510 21.538 1.00 32.21 C ATOM 998 CG ARG A 412 -5.746 -2.333 21.975 1.00 13.55 C ATOM 999 CD ARG A 412 -4.500 -1.452 22.091 1.00 73.02 C ATOM 1000 NE ARG A 412 -4.695 -0.435 23.148 1.00 54.22 N ATOM 1001 CZ ARG A 412 -4.501 -0.664 24.464 1.00 44.11 C ATOM 1002 NH1 ARG A 412 -4.103 -1.879 24.896 1.00 22.43 N ATOM 1003 NH2 ARG A 412 -4.705 0.318 25.322 1.00 41.43 N ATOM 0 H ARG A 412 -7.197 0.945 19.790 1.00 54.11 H new ATOM 0 HA ARG A 412 -5.813 -0.819 19.861 1.00 24.43 H new ATOM 0 HB2 ARG A 412 -7.044 -0.620 22.161 1.00 32.21 H new ATOM 0 HB3 ARG A 412 -7.870 -2.091 21.687 1.00 32.21 H new ATOM 0 HG2 ARG A 412 -5.950 -2.808 22.934 1.00 13.55 H new ATOM 0 HG3 ARG A 412 -5.565 -3.132 21.256 1.00 13.55 H new ATOM 0 HD2 ARG A 412 -3.630 -2.067 22.323 1.00 73.02 H new ATOM 0 HD3 ARG A 412 -4.300 -0.963 21.137 1.00 73.02 H new ATOM 0 HE ARG A 412 -4.995 0.498 22.864 1.00 54.22 H new ATOM 0 HH11 ARG A 412 -3.947 -2.632 24.226 1.00 22.43 H new ATOM 0 HH12 ARG A 412 -3.959 -2.044 25.892 1.00 22.43 H new ATOM 0 HH21 ARG A 412 -5.005 1.234 24.987 1.00 41.43 H new ATOM 0 HH22 ARG A 412 -4.563 0.161 26.320 1.00 41.43 H new ATOM 1016 N CYS A 413 -7.360 -2.006 17.894 1.00 4.22 N ATOM 1017 CA CYS A 413 -7.732 -3.034 16.937 1.00 44.31 C ATOM 1018 C CYS A 413 -6.676 -3.064 15.830 1.00 51.43 C ATOM 1019 O CYS A 413 -6.055 -2.044 15.531 1.00 35.42 O ATOM 1020 CB CYS A 413 -9.138 -2.805 16.379 1.00 43.31 C ATOM 1021 SG CYS A 413 -10.347 -3.835 17.287 1.00 21.20 S ATOM 0 H CYS A 413 -7.205 -1.083 17.489 1.00 4.22 H new ATOM 0 HA CYS A 413 -7.763 -4.004 17.434 1.00 44.31 H new ATOM 0 HB2 CYS A 413 -9.406 -1.752 16.467 1.00 43.31 H new ATOM 0 HB3 CYS A 413 -9.162 -3.052 15.318 1.00 43.31 H new ATOM 0 HG CYS A 413 -11.538 -3.631 16.807 1.00 21.20 H new ATOM 1027 N GLU A 414 -6.505 -4.243 15.251 1.00 71.01 N ATOM 1028 CA GLU A 414 -5.535 -4.419 14.183 1.00 33.12 C ATOM 1029 C GLU A 414 -5.863 -3.492 13.011 1.00 64.13 C ATOM 1030 O GLU A 414 -7.029 -3.203 12.751 1.00 54.24 O ATOM 1031 CB GLU A 414 -5.479 -5.879 13.729 1.00 51.12 C ATOM 1032 CG GLU A 414 -4.828 -5.999 12.350 1.00 62.25 C ATOM 1033 CD GLU A 414 -4.190 -7.377 12.163 1.00 63.22 C ATOM 1034 OE1 GLU A 414 -4.815 -8.276 11.581 1.00 31.22 O ATOM 1035 OE2 GLU A 414 -3.000 -7.497 12.646 1.00 23.11 O ATOM 0 H GLU A 414 -7.022 -5.086 15.501 1.00 71.01 H new ATOM 0 HA GLU A 414 -4.549 -4.154 14.566 1.00 33.12 H new ATOM 0 HB2 GLU A 414 -4.916 -6.468 14.453 1.00 51.12 H new ATOM 0 HB3 GLU A 414 -6.487 -6.293 13.697 1.00 51.12 H new ATOM 0 HG2 GLU A 414 -5.576 -5.832 11.575 1.00 62.25 H new ATOM 0 HG3 GLU A 414 -4.070 -5.224 12.233 1.00 62.25 H new ATOM 1043 N ILE A 415 -4.812 -3.052 12.334 1.00 24.25 N ATOM 1044 CA ILE A 415 -4.973 -2.164 11.196 1.00 43.02 C ATOM 1045 C ILE A 415 -5.141 -2.998 9.924 1.00 40.40 C ATOM 1046 O ILE A 415 -4.599 -4.097 9.822 1.00 43.12 O ATOM 1047 CB ILE A 415 -3.816 -1.165 11.128 1.00 62.02 C ATOM 1048 CG1 ILE A 415 -3.348 -0.772 12.530 1.00 1.44 C ATOM 1049 CG2 ILE A 415 -4.194 0.056 10.286 1.00 31.53 C ATOM 1050 CD1 ILE A 415 -2.523 0.516 12.492 1.00 40.40 C ATOM 0 H ILE A 415 -3.846 -3.294 12.552 1.00 24.25 H new ATOM 0 HA ILE A 415 -5.876 -1.564 11.306 1.00 43.02 H new ATOM 0 HB ILE A 415 -2.975 -1.650 10.632 1.00 62.02 H new ATOM 0 HG12 ILE A 415 -4.212 -0.636 13.181 1.00 1.44 H new ATOM 0 HG13 ILE A 415 -2.751 -1.578 12.957 1.00 1.44 H new ATOM 0 HG21 ILE A 415 -3.354 0.750 10.254 1.00 31.53 H new ATOM 0 HG22 ILE A 415 -4.440 -0.263 9.273 1.00 31.53 H new ATOM 0 HG23 ILE A 415 -5.057 0.551 10.730 1.00 31.53 H new ATOM 0 HD11 ILE A 415 -2.203 0.773 13.502 1.00 40.40 H new ATOM 0 HD12 ILE A 415 -1.647 0.369 11.860 1.00 40.40 H new ATOM 0 HD13 ILE A 415 -3.130 1.325 12.087 1.00 40.40 H new ATOM 1062 N LYS A 416 -5.895 -2.443 8.986 1.00 2.44 N ATOM 1063 CA LYS A 416 -6.141 -3.121 7.725 1.00 33.24 C ATOM 1064 C LYS A 416 -5.548 -2.295 6.582 1.00 31.22 C ATOM 1065 O LYS A 416 -4.820 -2.823 5.743 1.00 74.22 O ATOM 1066 CB LYS A 416 -7.633 -3.418 7.560 1.00 60.44 C ATOM 1067 CG LYS A 416 -8.211 -4.046 8.830 1.00 54.14 C ATOM 1068 CD LYS A 416 -8.222 -5.573 8.731 1.00 53.32 C ATOM 1069 CE LYS A 416 -9.629 -6.093 8.429 1.00 53.50 C ATOM 1070 NZ LYS A 416 -10.617 -5.475 9.342 1.00 41.21 N ATOM 0 H LYS A 416 -6.344 -1.531 9.074 1.00 2.44 H new ATOM 0 HA LYS A 416 -5.642 -4.090 7.709 1.00 33.24 H new ATOM 0 HB2 LYS A 416 -8.168 -2.496 7.330 1.00 60.44 H new ATOM 0 HB3 LYS A 416 -7.782 -4.092 6.716 1.00 60.44 H new ATOM 0 HG2 LYS A 416 -7.621 -3.738 9.693 1.00 54.14 H new ATOM 0 HG3 LYS A 416 -9.225 -3.681 8.991 1.00 54.14 H new ATOM 0 HD2 LYS A 416 -7.536 -5.895 7.948 1.00 53.32 H new ATOM 0 HD3 LYS A 416 -7.864 -6.004 9.666 1.00 53.32 H new ATOM 0 HE2 LYS A 416 -9.891 -5.870 7.395 1.00 53.50 H new ATOM 0 HE3 LYS A 416 -9.653 -7.177 8.537 1.00 53.50 H new ATOM 0 HZ1 LYS A 416 -11.360 -6.166 9.568 1.00 41.21 H new ATOM 0 HZ2 LYS A 416 -10.142 -5.178 10.218 1.00 41.21 H new ATOM 0 HZ3 LYS A 416 -11.044 -4.646 8.882 1.00 41.21 H new ATOM 1083 N GLY A 417 -5.881 -1.013 6.586 1.00 13.15 N ATOM 1084 CA GLY A 417 -5.391 -0.109 5.560 1.00 4.32 C ATOM 1085 C GLY A 417 -5.028 1.253 6.157 1.00 74.13 C ATOM 1086 O GLY A 417 -5.809 1.831 6.911 1.00 4.35 O ATOM 0 H GLY A 417 -6.485 -0.579 7.284 1.00 13.15 H new ATOM 0 HA2 GLY A 417 -4.516 -0.543 5.076 1.00 4.32 H new ATOM 0 HA3 GLY A 417 -6.151 0.019 4.789 1.00 4.32 H new ATOM 1090 N THR A 418 -3.845 1.725 5.795 1.00 5.45 N ATOM 1091 CA THR A 418 -3.369 3.008 6.285 1.00 14.15 C ATOM 1092 C THR A 418 -2.496 3.691 5.232 1.00 42.25 C ATOM 1093 O THR A 418 -1.449 3.167 4.853 1.00 11.54 O ATOM 1094 CB THR A 418 -2.646 2.769 7.612 1.00 21.12 C ATOM 1095 OG1 THR A 418 -1.981 1.522 7.425 1.00 15.34 O ATOM 1096 CG2 THR A 418 -3.614 2.506 8.768 1.00 64.12 C ATOM 0 H THR A 418 -3.201 1.242 5.168 1.00 5.45 H new ATOM 0 HA THR A 418 -4.197 3.693 6.468 1.00 14.15 H new ATOM 0 HB THR A 418 -2.026 3.634 7.848 1.00 21.12 H new ATOM 0 HG1 THR A 418 -1.485 1.291 8.238 1.00 15.34 H new ATOM 0 HG21 THR A 418 -3.049 2.343 9.686 1.00 64.12 H new ATOM 0 HG22 THR A 418 -4.272 3.366 8.895 1.00 64.12 H new ATOM 0 HG23 THR A 418 -4.212 1.621 8.548 1.00 64.12 H new ATOM 1104 N GLU A 419 -2.958 4.850 4.787 1.00 52.51 N ATOM 1105 CA GLU A 419 -2.232 5.611 3.784 1.00 70.21 C ATOM 1106 C GLU A 419 -2.029 7.052 4.255 1.00 43.31 C ATOM 1107 O GLU A 419 -2.840 7.582 5.012 1.00 31.15 O ATOM 1108 CB GLU A 419 -2.955 5.571 2.436 1.00 0.22 C ATOM 1109 CG GLU A 419 -4.405 6.038 2.578 1.00 51.11 C ATOM 1110 CD GLU A 419 -5.108 6.063 1.219 1.00 33.12 C ATOM 1111 OE1 GLU A 419 -4.727 5.311 0.310 1.00 70.10 O ATOM 1112 OE2 GLU A 419 -6.085 6.901 1.126 1.00 20.40 O ATOM 0 H GLU A 419 -3.827 5.281 5.103 1.00 52.51 H new ATOM 0 HA GLU A 419 -1.252 5.153 3.647 1.00 70.21 H new ATOM 0 HB2 GLU A 419 -2.433 6.206 1.720 1.00 0.22 H new ATOM 0 HB3 GLU A 419 -2.933 4.557 2.037 1.00 0.22 H new ATOM 0 HG2 GLU A 419 -4.940 5.373 3.256 1.00 51.11 H new ATOM 0 HG3 GLU A 419 -4.429 7.033 3.022 1.00 51.11 H new ATOM 1120 N PRO A 420 -0.912 7.662 3.774 1.00 31.11 N ATOM 1121 CA PRO A 420 -0.592 9.032 4.138 1.00 62.32 C ATOM 1122 C PRO A 420 -1.493 10.021 3.396 1.00 32.03 C ATOM 1123 O PRO A 420 -1.238 10.352 2.239 1.00 34.43 O ATOM 1124 CB PRO A 420 0.880 9.196 3.794 1.00 14.22 C ATOM 1125 CG PRO A 420 1.210 8.071 2.827 1.00 40.44 C ATOM 1126 CD PRO A 420 0.071 7.066 2.875 1.00 65.41 C ATOM 0 HA PRO A 420 -0.766 9.239 5.194 1.00 62.32 H new ATOM 0 HB2 PRO A 420 1.069 10.169 3.340 1.00 14.22 H new ATOM 0 HB3 PRO A 420 1.499 9.136 4.689 1.00 14.22 H new ATOM 0 HG2 PRO A 420 1.333 8.460 1.816 1.00 40.44 H new ATOM 0 HG3 PRO A 420 2.151 7.595 3.102 1.00 40.44 H new ATOM 0 HD2 PRO A 420 -0.350 6.897 1.884 1.00 65.41 H new ATOM 0 HD3 PRO A 420 0.411 6.099 3.246 1.00 65.41 H new ATOM 1134 N ILE A 421 -2.528 10.466 4.093 1.00 35.12 N ATOM 1135 CA ILE A 421 -3.469 11.411 3.515 1.00 30.15 C ATOM 1136 C ILE A 421 -3.258 12.787 4.150 1.00 22.24 C ATOM 1137 O ILE A 421 -2.766 12.887 5.273 1.00 3.42 O ATOM 1138 CB ILE A 421 -4.901 10.888 3.644 1.00 71.23 C ATOM 1139 CG1 ILE A 421 -5.533 11.337 4.963 1.00 50.34 C ATOM 1140 CG2 ILE A 421 -4.947 9.368 3.475 1.00 63.21 C ATOM 1141 CD1 ILE A 421 -6.262 12.672 4.795 1.00 43.14 C ATOM 0 H ILE A 421 -2.736 10.190 5.053 1.00 35.12 H new ATOM 0 HA ILE A 421 -3.289 11.522 2.446 1.00 30.15 H new ATOM 0 HB ILE A 421 -5.495 11.320 2.839 1.00 71.23 H new ATOM 0 HG12 ILE A 421 -6.233 10.578 5.312 1.00 50.34 H new ATOM 0 HG13 ILE A 421 -4.761 11.434 5.726 1.00 50.34 H new ATOM 0 HG21 ILE A 421 -5.976 9.022 3.571 1.00 63.21 H new ATOM 0 HG22 ILE A 421 -4.565 9.100 2.490 1.00 63.21 H new ATOM 0 HG23 ILE A 421 -4.333 8.898 4.243 1.00 63.21 H new ATOM 0 HD11 ILE A 421 -6.702 12.969 5.747 1.00 43.14 H new ATOM 0 HD12 ILE A 421 -5.554 13.434 4.469 1.00 43.14 H new ATOM 0 HD13 ILE A 421 -7.049 12.565 4.049 1.00 43.14 H new ATOM 1153 N ILE A 422 -3.640 13.813 3.404 1.00 33.51 N ATOM 1154 CA ILE A 422 -3.499 15.178 3.880 1.00 40.21 C ATOM 1155 C ILE A 422 -4.885 15.763 4.156 1.00 14.51 C ATOM 1156 O ILE A 422 -5.617 16.100 3.227 1.00 52.44 O ATOM 1157 CB ILE A 422 -2.667 16.005 2.897 1.00 31.41 C ATOM 1158 CG1 ILE A 422 -1.212 15.533 2.879 1.00 5.53 C ATOM 1159 CG2 ILE A 422 -2.782 17.499 3.203 1.00 12.31 C ATOM 1160 CD1 ILE A 422 -1.032 14.342 1.937 1.00 74.33 C ATOM 0 H ILE A 422 -4.047 13.726 2.473 1.00 33.51 H new ATOM 0 HA ILE A 422 -2.951 15.198 4.822 1.00 40.21 H new ATOM 0 HB ILE A 422 -3.068 15.851 1.895 1.00 31.41 H new ATOM 0 HG12 ILE A 422 -0.565 16.351 2.564 1.00 5.53 H new ATOM 0 HG13 ILE A 422 -0.904 15.254 3.887 1.00 5.53 H new ATOM 0 HG21 ILE A 422 -2.181 18.064 2.490 1.00 12.31 H new ATOM 0 HG22 ILE A 422 -3.824 17.807 3.124 1.00 12.31 H new ATOM 0 HG23 ILE A 422 -2.422 17.692 4.214 1.00 12.31 H new ATOM 0 HD11 ILE A 422 0.012 14.027 1.944 1.00 74.33 H new ATOM 0 HD12 ILE A 422 -1.662 13.517 2.269 1.00 74.33 H new ATOM 0 HD13 ILE A 422 -1.317 14.632 0.926 1.00 74.33 H new ATOM 1172 N VAL A 423 -5.204 15.866 5.438 1.00 55.52 N ATOM 1173 CA VAL A 423 -6.490 16.405 5.848 1.00 11.21 C ATOM 1174 C VAL A 423 -6.465 17.929 5.715 1.00 13.34 C ATOM 1175 O VAL A 423 -5.432 18.558 5.937 1.00 42.41 O ATOM 1176 CB VAL A 423 -6.827 15.934 7.264 1.00 33.21 C ATOM 1177 CG1 VAL A 423 -8.233 16.380 7.670 1.00 74.50 C ATOM 1178 CG2 VAL A 423 -6.676 14.416 7.387 1.00 11.22 C ATOM 0 H VAL A 423 -4.594 15.585 6.206 1.00 55.52 H new ATOM 0 HA VAL A 423 -7.284 16.035 5.199 1.00 11.21 H new ATOM 0 HB VAL A 423 -6.118 16.398 7.949 1.00 33.21 H new ATOM 0 HG11 VAL A 423 -8.447 16.032 8.681 1.00 74.50 H new ATOM 0 HG12 VAL A 423 -8.292 17.468 7.640 1.00 74.50 H new ATOM 0 HG13 VAL A 423 -8.962 15.958 6.979 1.00 74.50 H new ATOM 0 HG21 VAL A 423 -6.921 14.107 8.403 1.00 11.22 H new ATOM 0 HG22 VAL A 423 -7.351 13.925 6.686 1.00 11.22 H new ATOM 0 HG23 VAL A 423 -5.648 14.133 7.160 1.00 11.22 H new ATOM 1188 N ASP A 424 -7.616 18.479 5.355 1.00 64.34 N ATOM 1189 CA ASP A 424 -7.739 19.917 5.190 1.00 41.12 C ATOM 1190 C ASP A 424 -8.969 20.410 5.955 1.00 44.20 C ATOM 1191 O ASP A 424 -9.988 19.725 6.006 1.00 35.52 O ATOM 1192 CB ASP A 424 -7.918 20.289 3.717 1.00 50.32 C ATOM 1193 CG ASP A 424 -6.621 20.380 2.910 1.00 20.33 C ATOM 1194 OD1 ASP A 424 -6.287 19.472 2.134 1.00 51.31 O ATOM 1195 OD2 ASP A 424 -5.930 21.452 3.107 1.00 75.53 O ATOM 0 H ASP A 424 -8.471 17.954 5.173 1.00 64.34 H new ATOM 0 HA ASP A 424 -6.828 20.379 5.570 1.00 41.12 H new ATOM 0 HB2 ASP A 424 -8.569 19.551 3.248 1.00 50.32 H new ATOM 0 HB3 ASP A 424 -8.432 21.249 3.660 1.00 50.32 H new ATOM 1201 N PRO A 425 -8.828 21.627 6.546 1.00 31.11 N ATOM 1202 CA PRO A 425 -9.915 22.220 7.306 1.00 32.21 C ATOM 1203 C PRO A 425 -11.004 22.759 6.376 1.00 33.24 C ATOM 1204 O PRO A 425 -10.763 22.971 5.189 1.00 62.40 O ATOM 1205 CB PRO A 425 -9.262 23.304 8.147 1.00 43.41 C ATOM 1206 CG PRO A 425 -7.922 23.591 7.489 1.00 43.10 C ATOM 1207 CD PRO A 425 -7.635 22.467 6.507 1.00 41.44 C ATOM 0 HA PRO A 425 -10.428 21.497 7.941 1.00 32.21 H new ATOM 0 HB2 PRO A 425 -9.882 24.200 8.179 1.00 43.41 H new ATOM 0 HB3 PRO A 425 -9.129 22.972 9.177 1.00 43.41 H new ATOM 0 HG2 PRO A 425 -7.948 24.551 6.973 1.00 43.10 H new ATOM 0 HG3 PRO A 425 -7.134 23.653 8.239 1.00 43.10 H new ATOM 0 HD2 PRO A 425 -7.456 22.854 5.504 1.00 41.44 H new ATOM 0 HD3 PRO A 425 -6.746 21.906 6.796 1.00 41.44 H new ATOM 1215 N PHE A 426 -12.180 22.965 6.952 1.00 42.34 N ATOM 1216 CA PHE A 426 -13.307 23.476 6.189 1.00 24.43 C ATOM 1217 C PHE A 426 -12.855 24.546 5.193 1.00 33.14 C ATOM 1218 O PHE A 426 -12.465 25.643 5.590 1.00 23.32 O ATOM 1219 CB PHE A 426 -14.276 24.105 7.192 1.00 73.14 C ATOM 1220 CG PHE A 426 -15.281 25.072 6.562 1.00 3.42 C ATOM 1221 CD1 PHE A 426 -15.958 24.714 5.439 1.00 72.42 C ATOM 1222 CD2 PHE A 426 -15.496 26.291 7.126 1.00 11.10 C ATOM 1223 CE1 PHE A 426 -16.890 25.611 4.855 1.00 53.54 C ATOM 1224 CE2 PHE A 426 -16.428 27.189 6.542 1.00 52.02 C ATOM 1225 CZ PHE A 426 -17.106 26.830 5.418 1.00 3.24 C ATOM 0 H PHE A 426 -12.377 22.788 7.937 1.00 42.34 H new ATOM 0 HA PHE A 426 -13.773 22.668 5.625 1.00 24.43 H new ATOM 0 HB2 PHE A 426 -14.822 23.311 7.702 1.00 73.14 H new ATOM 0 HB3 PHE A 426 -13.703 24.636 7.952 1.00 73.14 H new ATOM 0 HD1 PHE A 426 -15.787 23.746 4.991 1.00 72.42 H new ATOM 0 HD2 PHE A 426 -14.958 26.576 8.018 1.00 11.10 H new ATOM 0 HE1 PHE A 426 -17.428 25.325 3.963 1.00 53.54 H new ATOM 0 HE2 PHE A 426 -16.599 28.157 6.990 1.00 52.02 H new ATOM 0 HZ PHE A 426 -17.815 27.513 4.973 1.00 3.24 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.369 11.892 18.024 1.00 71.21 ZN HETATM 1237 ZN ZN A1388 -8.942 3.185 15.216 1.00 70.24 ZN