USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 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= -2.88! C(o=-2.9!,f=-3.6!) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -140:sc= -0.122 USER MOD Single : A 352 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-2.8!) USER MOD Single : A 354 LYS NZ :NH3+ 149:sc= -0.179 (180deg=-1.15) USER MOD Single : A 356 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 357 GLN : amide:sc=-0.00385 X(o=-0.0038,f=0) USER MOD Single : A 359 GLN : amide:sc= -3.13! C(o=-3.1!,f=-2.8!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 180:sc= 0 USER MOD Single : A 366 MET CE :methyl -158:sc= 0 (180deg=-0.178) USER MOD Single : A 368 SER OG : rot -125:sc= 1.42 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 374 LYS NZ :NH3+ -136:sc= -4.77! (180deg=-6.3!) USER MOD Single : A 379 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.56) USER MOD Single : A 381 LYS NZ :NH3+ 151:sc= -0.146 (180deg=-1.46) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 157:sc= -3.79 (180deg=-6.19!) USER MOD Single : A 394 THR OG1 : rot 124:sc= 0.267 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= -3.09! C(o=-3.1!,f=-3.9!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.041) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 45:sc= 0.233 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 0.452 22.756 -5.220 1.00 64.44 N ATOM 2 CA GLY A 345 1.810 22.859 -5.728 1.00 22.43 C ATOM 3 C GLY A 345 2.481 21.485 -5.781 1.00 24.44 C ATOM 4 O GLY A 345 2.938 21.053 -6.838 1.00 74.11 O ATOM 0 HA2 GLY A 345 1.797 23.300 -6.725 1.00 22.43 H new ATOM 0 HA3 GLY A 345 2.391 23.527 -5.092 1.00 22.43 H new ATOM 8 N PRO A 346 2.522 20.819 -4.596 1.00 35.45 N ATOM 9 CA PRO A 346 3.129 19.503 -4.497 1.00 23.51 C ATOM 10 C PRO A 346 2.222 18.432 -5.107 1.00 40.42 C ATOM 11 O PRO A 346 1.125 18.736 -5.574 1.00 62.11 O ATOM 12 CB PRO A 346 3.378 19.294 -3.012 1.00 12.31 C ATOM 13 CG PRO A 346 2.483 20.292 -2.295 1.00 53.35 C ATOM 14 CD PRO A 346 1.991 21.299 -3.323 1.00 23.12 C ATOM 0 HA PRO A 346 4.060 19.428 -5.058 1.00 23.51 H new ATOM 0 HB2 PRO A 346 3.140 18.272 -2.716 1.00 12.31 H new ATOM 0 HB3 PRO A 346 4.426 19.461 -2.764 1.00 12.31 H new ATOM 0 HG2 PRO A 346 1.641 19.782 -1.827 1.00 53.35 H new ATOM 0 HG3 PRO A 346 3.033 20.796 -1.500 1.00 53.35 H new ATOM 0 HD2 PRO A 346 0.902 21.347 -3.341 1.00 23.12 H new ATOM 0 HD3 PRO A 346 2.350 22.303 -3.097 1.00 23.12 H new ATOM 22 N HIS A 347 2.713 17.202 -5.084 1.00 1.14 N ATOM 23 CA HIS A 347 1.960 16.085 -5.629 1.00 3.13 C ATOM 24 C HIS A 347 2.525 14.771 -5.084 1.00 52.43 C ATOM 25 O HIS A 347 3.715 14.497 -5.226 1.00 63.23 O ATOM 26 CB HIS A 347 1.944 16.135 -7.158 1.00 4.33 C ATOM 27 CG HIS A 347 1.091 17.244 -7.727 1.00 22.40 C ATOM 28 ND1 HIS A 347 1.625 18.413 -8.239 1.00 2.44 N ATOM 29 CD2 HIS A 347 -0.262 17.347 -7.861 1.00 13.44 C ATOM 30 CE1 HIS A 347 0.629 19.180 -8.657 1.00 70.25 C ATOM 31 NE2 HIS A 347 -0.540 18.518 -8.422 1.00 20.41 N ATOM 0 H HIS A 347 3.623 16.954 -4.696 1.00 1.14 H new ATOM 0 HA HIS A 347 0.920 16.153 -5.311 1.00 3.13 H new ATOM 0 HB2 HIS A 347 2.966 16.255 -7.518 1.00 4.33 H new ATOM 0 HB3 HIS A 347 1.582 15.180 -7.539 1.00 4.33 H new ATOM 0 HD2 HIS A 347 -0.985 16.603 -7.562 1.00 13.44 H new ATOM 0 HE1 HIS A 347 0.726 20.158 -9.105 1.00 70.25 H new ATOM 0 HE2 HIS A 347 -1.474 18.865 -8.641 1.00 20.41 H new ATOM 39 N MET A 348 1.643 13.994 -4.472 1.00 42.35 N ATOM 40 CA MET A 348 2.038 12.716 -3.906 1.00 65.10 C ATOM 41 C MET A 348 0.911 11.689 -4.030 1.00 11.11 C ATOM 42 O MET A 348 -0.231 12.047 -4.316 1.00 24.11 O ATOM 43 CB MET A 348 2.401 12.901 -2.431 1.00 52.01 C ATOM 44 CG MET A 348 3.421 14.027 -2.255 1.00 4.25 C ATOM 45 SD MET A 348 3.894 14.159 -0.538 1.00 42.04 S ATOM 46 CE MET A 348 5.305 13.066 -0.521 1.00 22.13 C ATOM 0 H MET A 348 0.656 14.225 -4.356 1.00 42.35 H new ATOM 0 HA MET A 348 2.902 12.347 -4.458 1.00 65.10 H new ATOM 0 HB2 MET A 348 1.502 13.127 -1.857 1.00 52.01 H new ATOM 0 HB3 MET A 348 2.808 11.971 -2.034 1.00 52.01 H new ATOM 0 HG2 MET A 348 4.300 13.832 -2.869 1.00 4.25 H new ATOM 0 HG3 MET A 348 2.996 14.971 -2.597 1.00 4.25 H new ATOM 0 HE1 MET A 348 5.726 13.031 0.484 1.00 22.13 H new ATOM 0 HE2 MET A 348 4.993 12.065 -0.819 1.00 22.13 H new ATOM 0 HE3 MET A 348 6.059 13.434 -1.217 1.00 22.13 H new ATOM 56 N GLY A 349 1.270 10.433 -3.809 1.00 4.35 N ATOM 57 CA GLY A 349 0.303 9.352 -3.892 1.00 2.12 C ATOM 58 C GLY A 349 -0.690 9.414 -2.729 1.00 63.13 C ATOM 59 O GLY A 349 -1.844 9.015 -2.873 1.00 14.14 O ATOM 0 H GLY A 349 2.218 10.140 -3.572 1.00 4.35 H new ATOM 0 HA2 GLY A 349 -0.235 9.413 -4.838 1.00 2.12 H new ATOM 0 HA3 GLY A 349 0.822 8.393 -3.881 1.00 2.12 H new ATOM 63 N SER A 350 -0.204 9.917 -1.604 1.00 42.01 N ATOM 64 CA SER A 350 -1.034 10.036 -0.418 1.00 11.24 C ATOM 65 C SER A 350 -2.436 10.512 -0.805 1.00 64.23 C ATOM 66 O SER A 350 -2.604 11.211 -1.803 1.00 61.44 O ATOM 67 CB SER A 350 -0.410 10.996 0.597 1.00 22.24 C ATOM 68 OG SER A 350 -0.078 12.252 0.011 1.00 74.41 O ATOM 0 H SER A 350 0.754 10.247 -1.489 1.00 42.01 H new ATOM 0 HA SER A 350 -1.106 9.053 0.048 1.00 11.24 H new ATOM 0 HB2 SER A 350 -1.105 11.153 1.422 1.00 22.24 H new ATOM 0 HB3 SER A 350 0.488 10.544 1.019 1.00 22.24 H new ATOM 0 HG SER A 350 0.782 12.561 0.365 1.00 74.41 H new ATOM 74 N ASP A 351 -3.406 10.114 0.004 1.00 22.15 N ATOM 75 CA ASP A 351 -4.787 10.491 -0.241 1.00 75.22 C ATOM 76 C ASP A 351 -5.020 11.917 0.262 1.00 20.35 C ATOM 77 O ASP A 351 -4.131 12.520 0.861 1.00 42.11 O ATOM 78 CB ASP A 351 -5.752 9.564 0.502 1.00 64.14 C ATOM 79 CG ASP A 351 -6.186 8.322 -0.280 1.00 2.05 C ATOM 80 OD1 ASP A 351 -5.890 7.184 0.114 1.00 10.03 O ATOM 81 OD2 ASP A 351 -6.865 8.561 -1.350 1.00 11.12 O ATOM 0 H ASP A 351 -3.263 9.534 0.831 1.00 22.15 H new ATOM 0 HA ASP A 351 -4.970 10.418 -1.313 1.00 75.22 H new ATOM 0 HB2 ASP A 351 -5.281 9.244 1.431 1.00 64.14 H new ATOM 0 HB3 ASP A 351 -6.641 10.133 0.774 1.00 64.14 H new ATOM 87 N HIS A 352 -6.220 12.414 0.002 1.00 70.13 N ATOM 88 CA HIS A 352 -6.581 13.758 0.421 1.00 23.51 C ATOM 89 C HIS A 352 -7.994 13.750 1.008 1.00 44.10 C ATOM 90 O HIS A 352 -8.886 13.089 0.479 1.00 21.33 O ATOM 91 CB HIS A 352 -6.424 14.748 -0.735 1.00 22.25 C ATOM 92 CG HIS A 352 -5.007 15.228 -0.944 1.00 15.23 C ATOM 93 ND1 HIS A 352 -4.244 15.776 0.072 1.00 0.22 N ATOM 94 CD2 HIS A 352 -4.225 15.236 -2.061 1.00 21.12 C ATOM 95 CE1 HIS A 352 -3.058 16.097 -0.423 1.00 24.23 C ATOM 96 NE2 HIS A 352 -3.048 15.762 -1.745 1.00 22.42 N ATOM 0 H HIS A 352 -6.955 11.910 -0.494 1.00 70.13 H new ATOM 0 HA HIS A 352 -5.902 14.094 1.204 1.00 23.51 H new ATOM 0 HB2 HIS A 352 -6.777 14.278 -1.653 1.00 22.25 H new ATOM 0 HB3 HIS A 352 -7.065 15.610 -0.551 1.00 22.25 H new ATOM 0 HD1 HIS A 352 -4.544 15.910 1.038 1.00 0.22 H new ATOM 0 HD2 HIS A 352 -4.514 14.876 -3.037 1.00 21.12 H new ATOM 0 HE1 HIS A 352 -2.242 16.545 0.124 1.00 24.23 H new ATOM 104 N ILE A 353 -8.153 14.493 2.093 1.00 1.31 N ATOM 105 CA ILE A 353 -9.442 14.581 2.758 1.00 72.33 C ATOM 106 C ILE A 353 -9.889 16.043 2.804 1.00 51.22 C ATOM 107 O ILE A 353 -9.067 16.951 2.692 1.00 41.21 O ATOM 108 CB ILE A 353 -9.383 13.912 4.133 1.00 44.24 C ATOM 109 CG1 ILE A 353 -9.198 12.399 3.999 1.00 1.21 C ATOM 110 CG2 ILE A 353 -10.614 14.268 4.969 1.00 65.21 C ATOM 111 CD1 ILE A 353 -9.183 11.725 5.373 1.00 55.34 C ATOM 0 H ILE A 353 -7.410 15.040 2.529 1.00 1.31 H new ATOM 0 HA ILE A 353 -10.198 14.034 2.195 1.00 72.33 H new ATOM 0 HB ILE A 353 -8.512 14.297 4.663 1.00 44.24 H new ATOM 0 HG12 ILE A 353 -10.004 11.983 3.394 1.00 1.21 H new ATOM 0 HG13 ILE A 353 -8.265 12.188 3.476 1.00 1.21 H new ATOM 0 HG21 ILE A 353 -10.547 13.780 5.941 1.00 65.21 H new ATOM 0 HG22 ILE A 353 -10.660 15.348 5.108 1.00 65.21 H new ATOM 0 HG23 ILE A 353 -11.513 13.930 4.454 1.00 65.21 H new ATOM 0 HD11 ILE A 353 -9.050 10.650 5.250 1.00 55.34 H new ATOM 0 HD12 ILE A 353 -8.361 12.126 5.966 1.00 55.34 H new ATOM 0 HD13 ILE A 353 -10.127 11.918 5.883 1.00 55.34 H new ATOM 123 N LYS A 354 -11.191 16.226 2.969 1.00 61.11 N ATOM 124 CA LYS A 354 -11.757 17.563 3.031 1.00 31.33 C ATOM 125 C LYS A 354 -12.522 17.727 4.346 1.00 3.23 C ATOM 126 O LYS A 354 -13.214 16.810 4.785 1.00 62.20 O ATOM 127 CB LYS A 354 -12.604 17.845 1.788 1.00 25.53 C ATOM 128 CG LYS A 354 -13.257 19.226 1.872 1.00 60.55 C ATOM 129 CD LYS A 354 -12.200 20.332 1.888 1.00 34.01 C ATOM 130 CE LYS A 354 -12.583 21.469 0.939 1.00 3.51 C ATOM 131 NZ LYS A 354 -14.016 21.807 1.085 1.00 34.33 N ATOM 0 H LYS A 354 -11.870 15.471 3.062 1.00 61.11 H new ATOM 0 HA LYS A 354 -10.965 18.312 3.026 1.00 31.33 H new ATOM 0 HB2 LYS A 354 -11.979 17.788 0.897 1.00 25.53 H new ATOM 0 HB3 LYS A 354 -13.374 17.080 1.687 1.00 25.53 H new ATOM 0 HG2 LYS A 354 -13.925 19.369 1.023 1.00 60.55 H new ATOM 0 HG3 LYS A 354 -13.868 19.289 2.772 1.00 60.55 H new ATOM 0 HD2 LYS A 354 -12.090 20.720 2.901 1.00 34.01 H new ATOM 0 HD3 LYS A 354 -11.233 19.921 1.597 1.00 34.01 H new ATOM 0 HE2 LYS A 354 -11.973 22.347 1.150 1.00 3.51 H new ATOM 0 HE3 LYS A 354 -12.376 21.177 -0.090 1.00 3.51 H new ATOM 0 HZ1 LYS A 354 -14.156 22.819 0.889 1.00 34.33 H new ATOM 0 HZ2 LYS A 354 -14.576 21.244 0.414 1.00 34.33 H new ATOM 0 HZ3 LYS A 354 -14.325 21.597 2.055 1.00 34.33 H new ATOM 144 N VAL A 355 -12.371 18.903 4.938 1.00 21.24 N ATOM 145 CA VAL A 355 -13.039 19.199 6.194 1.00 4.34 C ATOM 146 C VAL A 355 -14.297 20.024 5.916 1.00 44.51 C ATOM 147 O VAL A 355 -14.308 20.860 5.013 1.00 71.42 O ATOM 148 CB VAL A 355 -12.068 19.894 7.152 1.00 70.41 C ATOM 149 CG1 VAL A 355 -12.820 20.567 8.302 1.00 42.14 C ATOM 150 CG2 VAL A 355 -11.023 18.910 7.682 1.00 62.13 C ATOM 0 H VAL A 355 -11.796 19.662 4.571 1.00 21.24 H new ATOM 0 HA VAL A 355 -13.356 18.278 6.684 1.00 4.34 H new ATOM 0 HB VAL A 355 -11.545 20.671 6.594 1.00 70.41 H new ATOM 0 HG11 VAL A 355 -12.107 21.053 8.968 1.00 42.14 H new ATOM 0 HG12 VAL A 355 -13.508 21.311 7.901 1.00 42.14 H new ATOM 0 HG13 VAL A 355 -13.382 19.816 8.858 1.00 42.14 H new ATOM 0 HG21 VAL A 355 -10.346 19.429 8.360 1.00 62.13 H new ATOM 0 HG22 VAL A 355 -11.522 18.102 8.216 1.00 62.13 H new ATOM 0 HG23 VAL A 355 -10.456 18.497 6.848 1.00 62.13 H new ATOM 160 N THR A 356 -15.325 19.762 6.708 1.00 33.24 N ATOM 161 CA THR A 356 -16.585 20.470 6.558 1.00 34.25 C ATOM 162 C THR A 356 -16.812 21.411 7.743 1.00 51.53 C ATOM 163 O THR A 356 -16.309 21.169 8.839 1.00 63.05 O ATOM 164 CB THR A 356 -17.695 19.430 6.388 1.00 64.10 C ATOM 165 OG1 THR A 356 -17.358 18.407 7.322 1.00 52.34 O ATOM 166 CG2 THR A 356 -17.636 18.728 5.030 1.00 44.24 C ATOM 0 H THR A 356 -15.312 19.069 7.456 1.00 33.24 H new ATOM 0 HA THR A 356 -16.578 21.107 5.673 1.00 34.25 H new ATOM 0 HB THR A 356 -18.665 19.912 6.506 1.00 64.10 H new ATOM 0 HG1 THR A 356 -18.027 17.692 7.280 1.00 52.34 H new ATOM 0 HG21 THR A 356 -18.445 18.001 4.961 1.00 44.24 H new ATOM 0 HG22 THR A 356 -17.742 19.465 4.234 1.00 44.24 H new ATOM 0 HG23 THR A 356 -16.679 18.217 4.926 1.00 44.24 H new ATOM 174 N GLN A 357 -17.570 22.466 7.482 1.00 13.31 N ATOM 175 CA GLN A 357 -17.870 23.446 8.513 1.00 61.41 C ATOM 176 C GLN A 357 -18.214 22.744 9.828 1.00 22.42 C ATOM 177 O GLN A 357 -17.637 23.052 10.870 1.00 50.22 O ATOM 178 CB GLN A 357 -19.004 24.374 8.074 1.00 31.11 C ATOM 179 CG GLN A 357 -18.475 25.506 7.191 1.00 14.11 C ATOM 180 CD GLN A 357 -19.510 26.625 7.056 1.00 74.21 C ATOM 181 OE1 GLN A 357 -20.137 26.805 6.024 1.00 5.13 O ATOM 182 NE2 GLN A 357 -19.655 27.364 8.152 1.00 22.33 N ATOM 0 H GLN A 357 -17.985 22.664 6.572 1.00 13.31 H new ATOM 0 HA GLN A 357 -16.984 24.060 8.672 1.00 61.41 H new ATOM 0 HB2 GLN A 357 -19.755 23.803 7.528 1.00 31.11 H new ATOM 0 HB3 GLN A 357 -19.497 24.792 8.952 1.00 31.11 H new ATOM 0 HG2 GLN A 357 -17.555 25.906 7.618 1.00 14.11 H new ATOM 0 HG3 GLN A 357 -18.225 25.116 6.204 1.00 14.11 H new ATOM 0 HE21 GLN A 357 -19.099 27.160 8.982 1.00 22.33 H new ATOM 0 HE22 GLN A 357 -20.323 28.135 8.162 1.00 22.33 H new ATOM 191 N GLU A 358 -19.152 21.813 9.737 1.00 31.34 N ATOM 192 CA GLU A 358 -19.580 21.064 10.907 1.00 4.43 C ATOM 193 C GLU A 358 -18.367 20.634 11.735 1.00 43.42 C ATOM 194 O GLU A 358 -18.332 20.843 12.946 1.00 2.45 O ATOM 195 CB GLU A 358 -20.426 19.855 10.505 1.00 22.24 C ATOM 196 CG GLU A 358 -19.685 18.980 9.492 1.00 72.10 C ATOM 197 CD GLU A 358 -20.659 18.076 8.733 1.00 22.11 C ATOM 198 OE1 GLU A 358 -20.489 16.848 8.729 1.00 35.52 O ATOM 199 OE2 GLU A 358 -21.620 18.692 8.133 1.00 12.22 O ATOM 0 H GLU A 358 -19.628 21.560 8.871 1.00 31.34 H new ATOM 0 HA GLU A 358 -20.203 21.713 11.522 1.00 4.43 H new ATOM 0 HB2 GLU A 358 -20.670 19.267 11.390 1.00 22.24 H new ATOM 0 HB3 GLU A 358 -21.370 20.193 10.077 1.00 22.24 H new ATOM 0 HG2 GLU A 358 -19.145 19.612 8.787 1.00 72.10 H new ATOM 0 HG3 GLU A 358 -18.943 18.370 10.007 1.00 72.10 H new ATOM 207 N GLN A 359 -17.402 20.042 11.048 1.00 65.45 N ATOM 208 CA GLN A 359 -16.190 19.580 11.704 1.00 40.41 C ATOM 209 C GLN A 359 -15.471 20.752 12.376 1.00 53.22 C ATOM 210 O GLN A 359 -14.838 20.582 13.416 1.00 1.13 O ATOM 211 CB GLN A 359 -15.268 18.867 10.714 1.00 64.33 C ATOM 212 CG GLN A 359 -15.926 17.597 10.169 1.00 45.45 C ATOM 213 CD GLN A 359 -14.884 16.506 9.915 1.00 71.40 C ATOM 214 OE1 GLN A 359 -13.802 16.750 9.406 1.00 74.40 O ATOM 215 NE2 GLN A 359 -15.269 15.291 10.297 1.00 12.34 N ATOM 0 H GLN A 359 -17.434 19.871 10.043 1.00 65.45 H new ATOM 0 HA GLN A 359 -16.469 18.860 12.473 1.00 40.41 H new ATOM 0 HB2 GLN A 359 -15.025 19.538 9.890 1.00 64.33 H new ATOM 0 HB3 GLN A 359 -14.329 18.612 11.205 1.00 64.33 H new ATOM 0 HG2 GLN A 359 -16.671 17.236 10.878 1.00 45.45 H new ATOM 0 HG3 GLN A 359 -16.453 17.825 9.242 1.00 45.45 H new ATOM 0 HE21 GLN A 359 -16.189 15.156 10.717 1.00 12.34 H new ATOM 0 HE22 GLN A 359 -14.644 14.495 10.170 1.00 12.34 H new ATOM 224 N TYR A 360 -15.594 21.915 11.753 1.00 2.44 N ATOM 225 CA TYR A 360 -14.964 23.115 12.278 1.00 22.01 C ATOM 226 C TYR A 360 -15.666 23.591 13.552 1.00 61.34 C ATOM 227 O TYR A 360 -15.058 23.636 14.620 1.00 43.41 O ATOM 228 CB TYR A 360 -15.121 24.183 11.194 1.00 74.21 C ATOM 229 CG TYR A 360 -14.099 25.317 11.285 1.00 41.25 C ATOM 230 CD1 TYR A 360 -12.758 25.027 11.438 1.00 52.31 C ATOM 231 CD2 TYR A 360 -14.517 26.630 11.213 1.00 50.51 C ATOM 232 CE1 TYR A 360 -11.796 26.095 11.523 1.00 2.02 C ATOM 233 CE2 TYR A 360 -13.555 27.698 11.298 1.00 4.22 C ATOM 234 CZ TYR A 360 -12.242 27.378 11.449 1.00 25.21 C ATOM 235 OH TYR A 360 -11.333 28.386 11.530 1.00 45.24 O ATOM 0 H TYR A 360 -16.120 22.052 10.890 1.00 2.44 H new ATOM 0 HA TYR A 360 -13.920 22.922 12.527 1.00 22.01 H new ATOM 0 HB2 TYR A 360 -15.036 23.709 10.216 1.00 74.21 H new ATOM 0 HB3 TYR A 360 -16.124 24.606 11.257 1.00 74.21 H new ATOM 0 HD1 TYR A 360 -12.431 23.999 11.494 1.00 52.31 H new ATOM 0 HD2 TYR A 360 -15.566 26.857 11.093 1.00 50.51 H new ATOM 0 HE1 TYR A 360 -10.744 25.882 11.643 1.00 2.02 H new ATOM 0 HE2 TYR A 360 -13.869 28.730 11.243 1.00 4.22 H new ATOM 0 HH TYR A 360 -11.794 29.248 11.461 1.00 45.24 H new ATOM 245 N GLU A 361 -16.936 23.933 13.396 1.00 13.01 N ATOM 246 CA GLU A 361 -17.728 24.404 14.520 1.00 24.33 C ATOM 247 C GLU A 361 -17.665 23.398 15.672 1.00 61.14 C ATOM 248 O GLU A 361 -17.329 23.759 16.798 1.00 25.13 O ATOM 249 CB GLU A 361 -19.175 24.667 14.100 1.00 30.51 C ATOM 250 CG GLU A 361 -19.238 25.682 12.957 1.00 34.22 C ATOM 251 CD GLU A 361 -19.291 24.977 11.600 1.00 14.12 C ATOM 252 OE1 GLU A 361 -20.172 24.134 11.373 1.00 11.32 O ATOM 253 OE2 GLU A 361 -18.375 25.334 10.765 1.00 74.43 O ATOM 0 H GLU A 361 -17.437 23.893 12.508 1.00 13.01 H new ATOM 0 HA GLU A 361 -17.308 25.349 14.865 1.00 24.33 H new ATOM 0 HB2 GLU A 361 -19.642 23.733 13.788 1.00 30.51 H new ATOM 0 HB3 GLU A 361 -19.743 25.038 14.953 1.00 30.51 H new ATOM 0 HG2 GLU A 361 -20.117 26.315 13.076 1.00 34.22 H new ATOM 0 HG3 GLU A 361 -18.366 26.335 12.998 1.00 34.22 H new ATOM 261 N LEU A 362 -17.994 22.156 15.349 1.00 72.14 N ATOM 262 CA LEU A 362 -17.980 21.095 16.342 1.00 44.42 C ATOM 263 C LEU A 362 -16.628 21.093 17.059 1.00 31.11 C ATOM 264 O LEU A 362 -16.524 20.810 18.253 1.00 4.31 O ATOM 265 CB LEU A 362 -18.337 19.754 15.699 1.00 61.13 C ATOM 266 CG LEU A 362 -19.820 19.530 15.394 1.00 25.34 C ATOM 267 CD1 LEU A 362 -20.522 20.853 15.084 1.00 44.12 C ATOM 268 CD2 LEU A 362 -20.000 18.508 14.270 1.00 31.54 C ATOM 0 H LEU A 362 -18.272 21.860 14.413 1.00 72.14 H new ATOM 0 HA LEU A 362 -18.744 21.272 17.099 1.00 44.42 H new ATOM 0 HB2 LEU A 362 -17.777 19.659 14.769 1.00 61.13 H new ATOM 0 HB3 LEU A 362 -17.997 18.955 16.359 1.00 61.13 H new ATOM 0 HG LEU A 362 -20.293 19.116 16.284 1.00 25.34 H new ATOM 0 HD11 LEU A 362 -21.574 20.665 14.871 1.00 44.12 H new ATOM 0 HD12 LEU A 362 -20.439 21.519 15.943 1.00 44.12 H new ATOM 0 HD13 LEU A 362 -20.054 21.319 14.217 1.00 44.12 H new ATOM 0 HD21 LEU A 362 -21.063 18.367 14.073 1.00 31.54 H new ATOM 0 HD22 LEU A 362 -19.508 18.870 13.367 1.00 31.54 H new ATOM 0 HD23 LEU A 362 -19.557 17.558 14.568 1.00 31.54 H new HETATM 280 N PTR A 363 -15.588 21.417 16.298 1.00 23.20 N HETATM 281 CA PTR A 363 -14.233 21.458 16.834 1.00 4.44 C HETATM 282 C PTR A 363 -13.941 22.814 17.468 1.00 4.35 C HETATM 283 O PTR A 363 -13.020 22.915 18.279 1.00 75.54 O HETATM 284 CB PTR A 363 -13.216 21.170 15.728 1.00 5.12 C HETATM 285 CG PTR A 363 -13.054 19.698 15.422 1.00 2.12 C HETATM 286 CD1 PTR A 363 -14.162 18.890 15.200 1.00 24.43 C HETATM 287 CD2 PTR A 363 -11.793 19.118 15.355 1.00 74.04 C HETATM 288 CE1 PTR A 363 -14.017 17.544 14.921 1.00 54.53 C HETATM 289 CE2 PTR A 363 -11.641 17.774 15.075 1.00 73.32 C HETATM 290 CZ PTR A 363 -12.756 16.992 14.859 1.00 72.52 C HETATM 291 OH PTR A 363 -12.601 15.590 14.567 1.00 33.44 O HETATM 292 P PTR A 363 -12.419 14.513 15.777 1.00 53.24 P HETATM 293 O1P PTR A 363 -13.637 13.605 15.709 1.00 4.24 O HETATM 294 O2P PTR A 363 -12.362 15.333 17.056 1.00 74.21 O HETATM 295 O3P PTR A 363 -11.120 13.780 15.488 1.00 64.35 O HETATM 0 HE2 PTR A 363 -10.645 17.334 15.025 1.00 73.32 H new HETATM 0 HE1 PTR A 363 -14.896 16.922 14.751 1.00 54.53 H new HETATM 0 HD2 PTR A 363 -10.910 19.733 15.526 1.00 74.04 H new HETATM 0 HD1 PTR A 363 -15.161 19.324 15.247 1.00 24.43 H new HETATM 0 HB3 PTR A 363 -13.522 21.690 14.820 1.00 5.12 H new HETATM 0 HB2 PTR A 363 -12.249 21.580 16.019 1.00 5.12 H new HETATM 0 HA PTR A 363 -14.149 20.691 17.604 1.00 4.44 H new ATOM 304 N CYS A 364 -14.720 23.817 17.091 1.00 75.52 N ATOM 305 CA CYS A 364 -14.534 25.153 17.629 1.00 54.41 C ATOM 306 C CYS A 364 -14.836 25.114 19.128 1.00 24.13 C ATOM 307 O CYS A 364 -14.384 25.977 19.879 1.00 44.32 O ATOM 308 CB CYS A 364 -15.401 26.182 16.900 1.00 43.35 C ATOM 309 SG CYS A 364 -14.482 26.878 15.478 1.00 53.31 S ATOM 0 H CYS A 364 -15.482 23.731 16.419 1.00 75.52 H new ATOM 0 HA CYS A 364 -13.502 25.469 17.475 1.00 54.41 H new ATOM 0 HB2 CYS A 364 -16.323 25.714 16.554 1.00 43.35 H new ATOM 0 HB3 CYS A 364 -15.687 26.980 17.585 1.00 43.35 H new ATOM 0 HG CYS A 364 -15.227 27.749 14.864 1.00 53.31 H new ATOM 315 N GLU A 365 -15.597 24.103 19.520 1.00 13.11 N ATOM 316 CA GLU A 365 -15.964 23.940 20.917 1.00 72.25 C ATOM 317 C GLU A 365 -14.766 23.439 21.725 1.00 21.41 C ATOM 318 O GLU A 365 -14.785 23.472 22.955 1.00 64.55 O ATOM 319 CB GLU A 365 -17.158 22.995 21.063 1.00 73.42 C ATOM 320 CG GLU A 365 -18.380 23.535 20.317 1.00 40.11 C ATOM 321 CD GLU A 365 -19.536 22.534 20.361 1.00 53.02 C ATOM 322 OE1 GLU A 365 -20.002 22.078 19.306 1.00 50.21 O ATOM 323 OE2 GLU A 365 -19.951 22.231 21.544 1.00 5.14 O ATOM 0 H GLU A 365 -15.970 23.388 18.895 1.00 13.11 H new ATOM 0 HA GLU A 365 -16.262 24.912 21.310 1.00 72.25 H new ATOM 0 HB2 GLU A 365 -16.897 22.011 20.675 1.00 73.42 H new ATOM 0 HB3 GLU A 365 -17.399 22.868 22.118 1.00 73.42 H new ATOM 0 HG2 GLU A 365 -18.694 24.479 20.762 1.00 40.11 H new ATOM 0 HG3 GLU A 365 -18.115 23.744 19.281 1.00 40.11 H new ATOM 331 N MET A 366 -13.752 22.986 21.002 1.00 52.01 N ATOM 332 CA MET A 366 -12.548 22.479 21.637 1.00 63.53 C ATOM 333 C MET A 366 -11.316 23.264 21.183 1.00 41.52 C ATOM 334 O MET A 366 -10.202 22.992 21.628 1.00 33.25 O ATOM 335 CB MET A 366 -12.369 21.000 21.284 1.00 2.44 C ATOM 336 CG MET A 366 -12.519 20.774 19.779 1.00 70.33 C ATOM 337 SD MET A 366 -12.302 19.044 19.397 1.00 20.53 S ATOM 338 CE MET A 366 -13.979 18.468 19.604 1.00 61.22 C ATOM 0 H MET A 366 -13.740 22.960 19.982 1.00 52.01 H new ATOM 0 HA MET A 366 -12.652 22.595 22.716 1.00 63.53 H new ATOM 0 HB2 MET A 366 -11.386 20.661 21.610 1.00 2.44 H new ATOM 0 HB3 MET A 366 -13.106 20.403 21.820 1.00 2.44 H new ATOM 0 HG2 MET A 366 -13.503 21.107 19.449 1.00 70.33 H new ATOM 0 HG3 MET A 366 -11.783 21.369 19.238 1.00 70.33 H new ATOM 0 HE1 MET A 366 -13.974 17.394 19.791 1.00 61.22 H new ATOM 0 HE2 MET A 366 -14.438 18.981 20.449 1.00 61.22 H new ATOM 0 HE3 MET A 366 -14.550 18.676 18.699 1.00 61.22 H new ATOM 348 N GLY A 367 -11.557 24.224 20.302 1.00 14.30 N ATOM 349 CA GLY A 367 -10.482 25.052 19.783 1.00 65.41 C ATOM 350 C GLY A 367 -9.397 24.194 19.129 1.00 25.51 C ATOM 351 O GLY A 367 -8.207 24.425 19.338 1.00 2.25 O ATOM 0 H GLY A 367 -12.482 24.447 19.934 1.00 14.30 H new ATOM 0 HA2 GLY A 367 -10.881 25.758 19.055 1.00 65.41 H new ATOM 0 HA3 GLY A 367 -10.048 25.640 20.592 1.00 65.41 H new ATOM 355 N SER A 368 -9.846 23.220 18.350 1.00 2.35 N ATOM 356 CA SER A 368 -8.928 22.326 17.665 1.00 51.53 C ATOM 357 C SER A 368 -9.337 22.181 16.198 1.00 51.45 C ATOM 358 O SER A 368 -10.380 22.689 15.787 1.00 44.01 O ATOM 359 CB SER A 368 -8.886 20.955 18.342 1.00 44.21 C ATOM 360 OG SER A 368 -9.856 20.063 17.802 1.00 74.22 O ATOM 0 H SER A 368 -10.833 23.031 18.178 1.00 2.35 H new ATOM 0 HA SER A 368 -7.928 22.757 17.716 1.00 51.53 H new ATOM 0 HB2 SER A 368 -7.892 20.523 18.225 1.00 44.21 H new ATOM 0 HB3 SER A 368 -9.058 21.074 19.412 1.00 44.21 H new ATOM 0 HG SER A 368 -10.416 19.711 18.526 1.00 74.22 H new ATOM 366 N THR A 369 -8.495 21.486 15.448 1.00 42.14 N ATOM 367 CA THR A 369 -8.756 21.268 14.035 1.00 64.21 C ATOM 368 C THR A 369 -8.934 19.775 13.750 1.00 14.41 C ATOM 369 O THR A 369 -8.529 18.934 14.551 1.00 74.03 O ATOM 370 CB THR A 369 -7.615 21.906 13.240 1.00 61.15 C ATOM 371 OG1 THR A 369 -7.316 23.099 13.958 1.00 1.51 O ATOM 372 CG2 THR A 369 -8.066 22.402 11.864 1.00 10.02 C ATOM 0 H THR A 369 -7.631 21.066 15.792 1.00 42.14 H new ATOM 0 HA THR A 369 -9.689 21.739 13.728 1.00 64.21 H new ATOM 0 HB THR A 369 -6.809 21.183 13.119 1.00 61.15 H new ATOM 0 HG1 THR A 369 -6.585 23.575 13.512 1.00 1.51 H new ATOM 0 HG21 THR A 369 -7.219 22.846 11.341 1.00 10.02 H new ATOM 0 HG22 THR A 369 -8.452 21.564 11.284 1.00 10.02 H new ATOM 0 HG23 THR A 369 -8.849 23.150 11.986 1.00 10.02 H new ATOM 380 N PHE A 370 -9.541 19.492 12.607 1.00 55.41 N ATOM 381 CA PHE A 370 -9.779 18.116 12.206 1.00 20.03 C ATOM 382 C PHE A 370 -8.459 17.374 11.983 1.00 14.42 C ATOM 383 O PHE A 370 -8.112 16.475 12.747 1.00 60.22 O ATOM 384 CB PHE A 370 -10.554 18.161 10.888 1.00 11.31 C ATOM 385 CG PHE A 370 -10.862 16.783 10.300 1.00 72.23 C ATOM 386 CD1 PHE A 370 -11.762 15.968 10.912 1.00 31.33 C ATOM 387 CD2 PHE A 370 -10.236 16.373 9.164 1.00 31.21 C ATOM 388 CE1 PHE A 370 -12.048 14.688 10.366 1.00 11.52 C ATOM 389 CE2 PHE A 370 -10.522 15.094 8.618 1.00 31.41 C ATOM 390 CZ PHE A 370 -11.422 14.278 9.231 1.00 50.44 C ATOM 0 H PHE A 370 -9.875 20.193 11.945 1.00 55.41 H new ATOM 0 HA PHE A 370 -10.333 17.592 12.985 1.00 20.03 H new ATOM 0 HB2 PHE A 370 -11.491 18.694 11.047 1.00 11.31 H new ATOM 0 HB3 PHE A 370 -9.980 18.735 10.160 1.00 11.31 H new ATOM 0 HD1 PHE A 370 -12.260 16.294 11.813 1.00 31.33 H new ATOM 0 HD2 PHE A 370 -9.521 17.020 8.677 1.00 31.21 H new ATOM 0 HE1 PHE A 370 -12.763 14.041 10.853 1.00 11.52 H new ATOM 0 HE2 PHE A 370 -10.025 14.769 7.716 1.00 31.41 H new ATOM 0 HZ PHE A 370 -11.639 13.305 8.816 1.00 50.44 H new ATOM 400 N GLN A 371 -7.760 17.779 10.933 1.00 11.43 N ATOM 401 CA GLN A 371 -6.486 17.165 10.600 1.00 34.51 C ATOM 402 C GLN A 371 -5.638 16.985 11.860 1.00 4.24 C ATOM 403 O GLN A 371 -4.912 16.000 11.989 1.00 0.54 O ATOM 404 CB GLN A 371 -5.739 17.987 9.548 1.00 32.33 C ATOM 405 CG GLN A 371 -5.813 19.481 9.867 1.00 41.43 C ATOM 406 CD GLN A 371 -6.872 20.174 9.006 1.00 22.32 C ATOM 407 OE1 GLN A 371 -6.718 20.349 7.809 1.00 73.34 O ATOM 408 NE2 GLN A 371 -7.952 20.557 9.681 1.00 21.54 N ATOM 0 H GLN A 371 -8.052 18.525 10.302 1.00 11.43 H new ATOM 0 HA GLN A 371 -6.680 16.181 10.173 1.00 34.51 H new ATOM 0 HB2 GLN A 371 -4.697 17.671 9.507 1.00 32.33 H new ATOM 0 HB3 GLN A 371 -6.167 17.800 8.563 1.00 32.33 H new ATOM 0 HG2 GLN A 371 -6.049 19.620 10.922 1.00 41.43 H new ATOM 0 HG3 GLN A 371 -4.840 19.942 9.695 1.00 41.43 H new ATOM 0 HE21 GLN A 371 -8.017 20.379 10.683 1.00 21.54 H new ATOM 0 HE22 GLN A 371 -8.716 21.028 9.196 1.00 21.54 H new ATOM 417 N LEU A 372 -5.757 17.952 12.758 1.00 2.40 N ATOM 418 CA LEU A 372 -5.009 17.914 14.004 1.00 75.34 C ATOM 419 C LEU A 372 -5.214 16.554 14.674 1.00 62.42 C ATOM 420 O LEU A 372 -6.303 15.981 14.671 1.00 62.43 O ATOM 421 CB LEU A 372 -5.388 19.100 14.892 1.00 4.34 C ATOM 422 CG LEU A 372 -4.392 19.454 15.999 1.00 65.14 C ATOM 423 CD1 LEU A 372 -4.373 18.376 17.084 1.00 5.13 C ATOM 424 CD2 LEU A 372 -2.998 19.710 15.421 1.00 73.14 C ATOM 0 H LEU A 372 -6.360 18.767 12.648 1.00 2.40 H new ATOM 0 HA LEU A 372 -3.941 18.018 13.812 1.00 75.34 H new ATOM 0 HB2 LEU A 372 -5.522 19.976 14.257 1.00 4.34 H new ATOM 0 HB3 LEU A 372 -6.353 18.890 15.353 1.00 4.34 H new ATOM 0 HG LEU A 372 -4.720 20.380 16.471 1.00 65.14 H new ATOM 0 HD11 LEU A 372 -3.657 18.652 17.858 1.00 5.13 H new ATOM 0 HD12 LEU A 372 -5.366 18.285 17.524 1.00 5.13 H new ATOM 0 HD13 LEU A 372 -4.082 17.422 16.644 1.00 5.13 H new ATOM 0 HD21 LEU A 372 -2.310 19.959 16.228 1.00 73.14 H new ATOM 0 HD22 LEU A 372 -2.647 18.815 14.908 1.00 73.14 H new ATOM 0 HD23 LEU A 372 -3.044 20.539 14.714 1.00 73.14 H new ATOM 436 N CYS A 373 -4.131 16.045 15.254 1.00 13.04 N ATOM 437 CA CYS A 373 -4.162 14.756 15.935 1.00 51.30 C ATOM 438 C CYS A 373 -4.629 14.914 17.379 1.00 20.02 C ATOM 439 O CYS A 373 -4.346 15.941 17.994 1.00 33.03 O ATOM 440 CB CYS A 373 -2.778 14.106 15.903 1.00 20.34 C ATOM 441 SG CYS A 373 -1.543 14.936 16.955 1.00 63.44 S ATOM 0 H CYS A 373 -3.221 16.506 15.266 1.00 13.04 H new ATOM 0 HA CYS A 373 -4.870 14.114 15.412 1.00 51.30 H new ATOM 0 HB2 CYS A 373 -2.869 13.067 16.219 1.00 20.34 H new ATOM 0 HB3 CYS A 373 -2.416 14.096 14.875 1.00 20.34 H new ATOM 446 N LYS A 374 -5.326 13.906 17.882 1.00 21.32 N ATOM 447 CA LYS A 374 -5.823 13.947 19.247 1.00 25.42 C ATOM 448 C LYS A 374 -4.888 13.139 20.150 1.00 63.12 C ATOM 449 O LYS A 374 -5.261 12.765 21.261 1.00 52.25 O ATOM 450 CB LYS A 374 -7.280 13.485 19.301 1.00 31.31 C ATOM 451 CG LYS A 374 -8.220 14.575 18.783 1.00 33.00 C ATOM 452 CD LYS A 374 -7.589 15.332 17.613 1.00 55.41 C ATOM 453 CE LYS A 374 -8.595 16.295 16.977 1.00 23.30 C ATOM 454 NZ LYS A 374 -9.884 15.610 16.732 1.00 43.04 N ATOM 0 H LYS A 374 -5.558 13.056 17.369 1.00 21.32 H new ATOM 0 HA LYS A 374 -5.823 14.971 19.622 1.00 25.42 H new ATOM 0 HB2 LYS A 374 -7.401 12.581 18.704 1.00 31.31 H new ATOM 0 HB3 LYS A 374 -7.546 13.227 20.326 1.00 31.31 H new ATOM 0 HG2 LYS A 374 -9.162 14.127 18.466 1.00 33.00 H new ATOM 0 HG3 LYS A 374 -8.453 15.272 19.588 1.00 33.00 H new ATOM 0 HD2 LYS A 374 -6.719 15.888 17.962 1.00 55.41 H new ATOM 0 HD3 LYS A 374 -7.236 14.623 16.864 1.00 55.41 H new ATOM 0 HE2 LYS A 374 -8.751 17.152 17.632 1.00 23.30 H new ATOM 0 HE3 LYS A 374 -8.196 16.679 16.038 1.00 23.30 H new ATOM 0 HZ1 LYS A 374 -10.236 15.861 15.786 1.00 43.04 H new ATOM 0 HZ2 LYS A 374 -9.746 14.581 16.789 1.00 43.04 H new ATOM 0 HZ3 LYS A 374 -10.577 15.907 17.449 1.00 43.04 H new ATOM 467 N ILE A 375 -3.690 12.893 19.639 1.00 52.32 N ATOM 468 CA ILE A 375 -2.699 12.137 20.385 1.00 60.22 C ATOM 469 C ILE A 375 -1.784 13.106 21.136 1.00 21.44 C ATOM 470 O ILE A 375 -1.727 13.084 22.365 1.00 43.50 O ATOM 471 CB ILE A 375 -1.950 11.176 19.459 1.00 1.21 C ATOM 472 CG1 ILE A 375 -2.907 10.160 18.833 1.00 70.02 C ATOM 473 CG2 ILE A 375 -0.793 10.496 20.194 1.00 10.53 C ATOM 474 CD1 ILE A 375 -2.144 8.949 18.292 1.00 31.14 C ATOM 0 H ILE A 375 -3.384 13.204 18.717 1.00 52.32 H new ATOM 0 HA ILE A 375 -3.183 11.510 21.134 1.00 60.22 H new ATOM 0 HB ILE A 375 -1.517 11.756 18.644 1.00 1.21 H new ATOM 0 HG12 ILE A 375 -3.634 9.834 19.577 1.00 70.02 H new ATOM 0 HG13 ILE A 375 -3.467 10.632 18.026 1.00 70.02 H new ATOM 0 HG21 ILE A 375 -0.278 9.818 19.513 1.00 10.53 H new ATOM 0 HG22 ILE A 375 -0.094 11.252 20.551 1.00 10.53 H new ATOM 0 HG23 ILE A 375 -1.182 9.932 21.042 1.00 10.53 H new ATOM 0 HD11 ILE A 375 -2.848 8.242 17.852 1.00 31.14 H new ATOM 0 HD12 ILE A 375 -1.435 9.276 17.531 1.00 31.14 H new ATOM 0 HD13 ILE A 375 -1.605 8.465 19.106 1.00 31.14 H new ATOM 486 N CYS A 376 -1.091 13.932 20.367 1.00 2.00 N ATOM 487 CA CYS A 376 -0.181 14.907 20.945 1.00 72.22 C ATOM 488 C CYS A 376 -0.860 16.277 20.909 1.00 11.43 C ATOM 489 O CYS A 376 -0.534 17.156 21.706 1.00 51.33 O ATOM 490 CB CYS A 376 1.168 14.919 20.223 1.00 53.13 C ATOM 491 SG CYS A 376 1.722 13.288 19.605 1.00 5.31 S ATOM 0 H CYS A 376 -1.141 13.947 19.348 1.00 2.00 H new ATOM 0 HA CYS A 376 0.037 14.638 21.978 1.00 72.22 H new ATOM 0 HB2 CYS A 376 1.108 15.609 19.382 1.00 53.13 H new ATOM 0 HB3 CYS A 376 1.925 15.310 20.903 1.00 53.13 H new ATOM 496 N ALA A 377 -1.792 16.417 19.978 1.00 63.13 N ATOM 497 CA ALA A 377 -2.519 17.666 19.828 1.00 74.30 C ATOM 498 C ALA A 377 -1.541 18.778 19.443 1.00 35.25 C ATOM 499 O ALA A 377 -1.579 19.867 20.014 1.00 22.21 O ATOM 500 CB ALA A 377 -3.274 17.975 21.122 1.00 35.02 C ATOM 0 H ALA A 377 -2.061 15.686 19.320 1.00 63.13 H new ATOM 0 HA ALA A 377 -3.258 17.587 19.030 1.00 74.30 H new ATOM 0 HB1 ALA A 377 -3.820 18.912 21.010 1.00 35.02 H new ATOM 0 HB2 ALA A 377 -3.977 17.169 21.335 1.00 35.02 H new ATOM 0 HB3 ALA A 377 -2.565 18.064 21.945 1.00 35.02 H new ATOM 506 N GLU A 378 -0.689 18.465 18.478 1.00 12.05 N ATOM 507 CA GLU A 378 0.297 19.424 18.011 1.00 51.40 C ATOM 508 C GLU A 378 0.426 19.353 16.488 1.00 3.31 C ATOM 509 O GLU A 378 0.378 20.378 15.809 1.00 74.30 O ATOM 510 CB GLU A 378 1.650 19.194 18.687 1.00 33.15 C ATOM 511 CG GLU A 378 2.702 20.169 18.155 1.00 20.24 C ATOM 512 CD GLU A 378 2.263 21.619 18.367 1.00 74.01 C ATOM 513 OE1 GLU A 378 1.761 21.964 19.447 1.00 24.44 O ATOM 514 OE2 GLU A 378 2.459 22.401 17.360 1.00 71.45 O ATOM 0 H GLU A 378 -0.661 17.561 18.007 1.00 12.05 H new ATOM 0 HA GLU A 378 -0.041 20.424 18.282 1.00 51.40 H new ATOM 0 HB2 GLU A 378 1.547 19.317 19.765 1.00 33.15 H new ATOM 0 HB3 GLU A 378 1.978 18.169 18.513 1.00 33.15 H new ATOM 0 HG2 GLU A 378 3.652 19.995 18.660 1.00 20.24 H new ATOM 0 HG3 GLU A 378 2.868 19.987 17.093 1.00 20.24 H new ATOM 522 N ASN A 379 0.589 18.134 15.996 1.00 34.22 N ATOM 523 CA ASN A 379 0.725 17.916 14.566 1.00 24.32 C ATOM 524 C ASN A 379 -0.579 17.334 14.016 1.00 4.04 C ATOM 525 O ASN A 379 -1.495 17.027 14.777 1.00 11.33 O ATOM 526 CB ASN A 379 1.850 16.923 14.265 1.00 32.25 C ATOM 527 CG ASN A 379 3.032 17.129 15.215 1.00 34.20 C ATOM 528 OD1 ASN A 379 3.489 18.236 15.448 1.00 72.33 O ATOM 529 ND2 ASN A 379 3.499 16.004 15.749 1.00 62.13 N ATOM 0 H ASN A 379 0.630 17.287 16.562 1.00 34.22 H new ATOM 0 HA ASN A 379 0.955 18.874 14.099 1.00 24.32 H new ATOM 0 HB2 ASN A 379 1.475 15.904 14.360 1.00 32.25 H new ATOM 0 HB3 ASN A 379 2.182 17.045 13.234 1.00 32.25 H new ATOM 0 HD21 ASN A 379 4.286 16.035 16.397 1.00 62.13 H new ATOM 0 HD22 ASN A 379 3.070 15.110 15.511 1.00 62.13 H new ATOM 536 N ASP A 380 -0.620 17.200 12.699 1.00 72.20 N ATOM 537 CA ASP A 380 -1.797 16.660 12.038 1.00 3.35 C ATOM 538 C ASP A 380 -1.710 15.133 12.019 1.00 60.10 C ATOM 539 O ASP A 380 -0.691 14.561 12.403 1.00 71.53 O ATOM 540 CB ASP A 380 -1.887 17.147 10.591 1.00 55.21 C ATOM 541 CG ASP A 380 -0.574 17.097 9.808 1.00 2.23 C ATOM 542 OD1 ASP A 380 0.325 16.302 10.119 1.00 20.42 O ATOM 543 OD2 ASP A 380 -0.491 17.932 8.828 1.00 31.20 O ATOM 0 H ASP A 380 0.142 17.456 12.071 1.00 72.20 H new ATOM 0 HA ASP A 380 -2.677 16.996 12.587 1.00 3.35 H new ATOM 0 HB2 ASP A 380 -2.628 16.544 10.066 1.00 55.21 H new ATOM 0 HB3 ASP A 380 -2.253 18.174 10.591 1.00 55.21 H new ATOM 549 N LYS A 381 -2.793 14.516 11.568 1.00 5.31 N ATOM 550 CA LYS A 381 -2.852 13.066 11.494 1.00 44.44 C ATOM 551 C LYS A 381 -2.101 12.593 10.247 1.00 10.12 C ATOM 552 O LYS A 381 -1.194 11.768 10.340 1.00 22.25 O ATOM 553 CB LYS A 381 -4.303 12.585 11.557 1.00 5.35 C ATOM 554 CG LYS A 381 -4.955 12.985 12.882 1.00 11.43 C ATOM 555 CD LYS A 381 -6.407 13.420 12.669 1.00 24.24 C ATOM 556 CE LYS A 381 -7.254 13.127 13.909 1.00 2.24 C ATOM 557 NZ LYS A 381 -8.695 13.203 13.582 1.00 72.32 N ATOM 0 H LYS A 381 -3.636 14.994 11.250 1.00 5.31 H new ATOM 0 HA LYS A 381 -2.355 12.620 12.355 1.00 44.44 H new ATOM 0 HB2 LYS A 381 -4.867 13.010 10.727 1.00 5.35 H new ATOM 0 HB3 LYS A 381 -4.336 11.501 11.444 1.00 5.35 H new ATOM 0 HG2 LYS A 381 -4.921 12.145 13.576 1.00 11.43 H new ATOM 0 HG3 LYS A 381 -4.391 13.799 13.338 1.00 11.43 H new ATOM 0 HD2 LYS A 381 -6.442 14.486 12.444 1.00 24.24 H new ATOM 0 HD3 LYS A 381 -6.824 12.898 11.808 1.00 24.24 H new ATOM 0 HE2 LYS A 381 -7.014 12.136 14.295 1.00 2.24 H new ATOM 0 HE3 LYS A 381 -7.016 13.842 14.697 1.00 2.24 H new ATOM 0 HZ1 LYS A 381 -9.227 12.566 14.209 1.00 72.32 H new ATOM 0 HZ2 LYS A 381 -9.030 14.179 13.714 1.00 72.32 H new ATOM 0 HZ3 LYS A 381 -8.842 12.917 12.593 1.00 72.32 H new ATOM 570 N ASP A 382 -2.507 13.136 9.109 1.00 14.20 N ATOM 571 CA ASP A 382 -1.885 12.780 7.845 1.00 24.15 C ATOM 572 C ASP A 382 -1.872 11.257 7.700 1.00 73.15 C ATOM 573 O ASP A 382 -1.015 10.702 7.013 1.00 13.43 O ATOM 574 CB ASP A 382 -0.437 13.272 7.787 1.00 53.14 C ATOM 575 CG ASP A 382 0.572 12.406 8.544 1.00 15.41 C ATOM 576 OD1 ASP A 382 1.048 11.383 8.031 1.00 55.14 O ATOM 577 OD2 ASP A 382 0.870 12.826 9.727 1.00 45.23 O ATOM 0 H ASP A 382 -3.260 13.820 9.036 1.00 14.20 H new ATOM 0 HA ASP A 382 -2.458 13.246 7.043 1.00 24.15 H new ATOM 0 HB2 ASP A 382 -0.131 13.331 6.743 1.00 53.14 H new ATOM 0 HB3 ASP A 382 -0.397 14.285 8.188 1.00 53.14 H new ATOM 583 N VAL A 383 -2.833 10.624 8.356 1.00 32.32 N ATOM 584 CA VAL A 383 -2.944 9.176 8.308 1.00 23.32 C ATOM 585 C VAL A 383 -4.387 8.768 8.610 1.00 54.42 C ATOM 586 O VAL A 383 -5.222 9.615 8.925 1.00 1.13 O ATOM 587 CB VAL A 383 -1.931 8.542 9.264 1.00 35.44 C ATOM 588 CG1 VAL A 383 -2.543 8.333 10.651 1.00 12.52 C ATOM 589 CG2 VAL A 383 -1.393 7.226 8.699 1.00 33.43 C ATOM 0 H VAL A 383 -3.542 11.087 8.924 1.00 32.32 H new ATOM 0 HA VAL A 383 -2.705 8.808 7.310 1.00 23.32 H new ATOM 0 HB VAL A 383 -1.092 9.230 9.368 1.00 35.44 H new ATOM 0 HG11 VAL A 383 -1.803 7.881 11.311 1.00 12.52 H new ATOM 0 HG12 VAL A 383 -2.855 9.294 11.060 1.00 12.52 H new ATOM 0 HG13 VAL A 383 -3.408 7.675 10.572 1.00 12.52 H new ATOM 0 HG21 VAL A 383 -0.675 6.796 9.398 1.00 33.43 H new ATOM 0 HG22 VAL A 383 -2.218 6.529 8.552 1.00 33.43 H new ATOM 0 HG23 VAL A 383 -0.902 7.414 7.744 1.00 33.43 H new ATOM 599 N LYS A 384 -4.637 7.472 8.502 1.00 35.22 N ATOM 600 CA LYS A 384 -5.966 6.942 8.759 1.00 22.05 C ATOM 601 C LYS A 384 -5.861 5.451 9.087 1.00 41.13 C ATOM 602 O LYS A 384 -4.941 4.775 8.629 1.00 22.25 O ATOM 603 CB LYS A 384 -6.902 7.250 7.589 1.00 44.41 C ATOM 604 CG LYS A 384 -8.259 6.570 7.778 1.00 10.23 C ATOM 605 CD LYS A 384 -9.098 6.656 6.502 1.00 61.44 C ATOM 606 CE LYS A 384 -10.583 6.447 6.806 1.00 3.23 C ATOM 607 NZ LYS A 384 -11.377 6.477 5.558 1.00 52.50 N ATOM 0 H LYS A 384 -3.942 6.773 8.240 1.00 35.22 H new ATOM 0 HA LYS A 384 -6.409 7.430 9.627 1.00 22.05 H new ATOM 0 HB2 LYS A 384 -7.040 8.328 7.503 1.00 44.41 H new ATOM 0 HB3 LYS A 384 -6.449 6.912 6.657 1.00 44.41 H new ATOM 0 HG2 LYS A 384 -8.111 5.525 8.051 1.00 10.23 H new ATOM 0 HG3 LYS A 384 -8.794 7.042 8.602 1.00 10.23 H new ATOM 0 HD2 LYS A 384 -8.953 7.629 6.032 1.00 61.44 H new ATOM 0 HD3 LYS A 384 -8.760 5.904 5.789 1.00 61.44 H new ATOM 0 HE2 LYS A 384 -10.726 5.492 7.312 1.00 3.23 H new ATOM 0 HE3 LYS A 384 -10.934 7.223 7.486 1.00 3.23 H new ATOM 0 HZ1 LYS A 384 -12.382 6.334 5.783 1.00 52.50 H new ATOM 0 HZ2 LYS A 384 -11.255 7.398 5.091 1.00 52.50 H new ATOM 0 HZ3 LYS A 384 -11.053 5.720 4.922 1.00 52.50 H new ATOM 620 N ILE A 385 -6.816 4.982 9.876 1.00 55.43 N ATOM 621 CA ILE A 385 -6.843 3.584 10.269 1.00 32.04 C ATOM 622 C ILE A 385 -8.092 2.918 9.687 1.00 2.53 C ATOM 623 O ILE A 385 -9.190 3.466 9.775 1.00 44.32 O ATOM 624 CB ILE A 385 -6.729 3.453 11.790 1.00 45.15 C ATOM 625 CG1 ILE A 385 -5.449 4.118 12.302 1.00 32.41 C ATOM 626 CG2 ILE A 385 -6.827 1.989 12.223 1.00 72.03 C ATOM 627 CD1 ILE A 385 -4.213 3.316 11.892 1.00 65.42 C ATOM 0 H ILE A 385 -7.577 5.546 10.254 1.00 55.43 H new ATOM 0 HA ILE A 385 -5.981 3.057 9.860 1.00 32.04 H new ATOM 0 HB ILE A 385 -7.569 3.979 12.243 1.00 45.15 H new ATOM 0 HG12 ILE A 385 -5.378 5.131 11.906 1.00 32.41 H new ATOM 0 HG13 ILE A 385 -5.488 4.203 13.388 1.00 32.41 H new ATOM 0 HG21 ILE A 385 -6.743 1.924 13.308 1.00 72.03 H new ATOM 0 HG22 ILE A 385 -7.787 1.580 11.908 1.00 72.03 H new ATOM 0 HG23 ILE A 385 -6.021 1.418 11.762 1.00 72.03 H new ATOM 0 HD11 ILE A 385 -3.317 3.810 12.268 1.00 65.42 H new ATOM 0 HD12 ILE A 385 -4.276 2.311 12.310 1.00 65.42 H new ATOM 0 HD13 ILE A 385 -4.164 3.254 10.805 1.00 65.42 H new ATOM 639 N GLU A 386 -7.882 1.747 9.106 1.00 72.51 N ATOM 640 CA GLU A 386 -8.977 1.001 8.509 1.00 32.54 C ATOM 641 C GLU A 386 -8.856 -0.486 8.853 1.00 51.42 C ATOM 642 O GLU A 386 -7.784 -0.953 9.233 1.00 61.11 O ATOM 643 CB GLU A 386 -9.023 1.211 6.995 1.00 53.22 C ATOM 644 CG GLU A 386 -10.062 2.270 6.620 1.00 73.12 C ATOM 645 CD GLU A 386 -10.297 2.296 5.108 1.00 12.31 C ATOM 646 OE1 GLU A 386 -11.442 2.146 4.656 1.00 61.01 O ATOM 647 OE2 GLU A 386 -9.238 2.482 4.395 1.00 14.30 O ATOM 0 H GLU A 386 -6.970 1.296 9.036 1.00 72.51 H new ATOM 0 HA GLU A 386 -9.913 1.375 8.923 1.00 32.54 H new ATOM 0 HB2 GLU A 386 -8.040 1.518 6.637 1.00 53.22 H new ATOM 0 HB3 GLU A 386 -9.263 0.270 6.501 1.00 53.22 H new ATOM 0 HG2 GLU A 386 -11.000 2.062 7.134 1.00 73.12 H new ATOM 0 HG3 GLU A 386 -9.725 3.251 6.956 1.00 73.12 H new ATOM 655 N PRO A 387 -10.000 -1.205 8.703 1.00 73.23 N ATOM 656 CA PRO A 387 -11.227 -0.574 8.248 1.00 53.14 C ATOM 657 C PRO A 387 -11.859 0.263 9.362 1.00 50.34 C ATOM 658 O PRO A 387 -12.854 0.962 9.170 1.00 70.40 O ATOM 659 CB PRO A 387 -12.114 -1.721 7.791 1.00 41.11 C ATOM 660 CG PRO A 387 -11.541 -2.973 8.435 1.00 44.22 C ATOM 661 CD PRO A 387 -10.156 -2.634 8.961 1.00 3.33 C ATOM 0 HA PRO A 387 -11.060 0.131 7.434 1.00 53.14 H new ATOM 0 HB2 PRO A 387 -13.148 -1.562 8.098 1.00 41.11 H new ATOM 0 HB3 PRO A 387 -12.114 -1.806 6.704 1.00 41.11 H new ATOM 0 HG2 PRO A 387 -12.185 -3.314 9.246 1.00 44.22 H new ATOM 0 HG3 PRO A 387 -11.486 -3.785 7.709 1.00 44.22 H new ATOM 0 HD2 PRO A 387 -10.071 -2.856 10.025 1.00 3.33 H new ATOM 0 HD3 PRO A 387 -9.386 -3.214 8.452 1.00 3.33 H new ATOM 669 N CYS A 388 -11.253 0.177 10.542 1.00 50.13 N ATOM 670 CA CYS A 388 -11.734 0.914 11.704 1.00 24.22 C ATOM 671 C CYS A 388 -12.228 2.301 11.304 1.00 71.22 C ATOM 672 O CYS A 388 -13.437 2.501 11.195 1.00 20.44 O ATOM 673 CB CYS A 388 -10.624 1.039 12.750 1.00 71.51 C ATOM 674 SG CYS A 388 -11.050 2.109 14.161 1.00 33.15 S ATOM 0 H CYS A 388 -10.428 -0.396 10.718 1.00 50.13 H new ATOM 0 HA CYS A 388 -12.569 0.360 12.133 1.00 24.22 H new ATOM 0 HB2 CYS A 388 -10.377 0.045 13.123 1.00 71.51 H new ATOM 0 HB3 CYS A 388 -9.728 1.430 12.268 1.00 71.51 H new ATOM 679 N GLY A 389 -11.294 3.218 11.096 1.00 34.42 N ATOM 680 CA GLY A 389 -11.649 4.573 10.712 1.00 50.24 C ATOM 681 C GLY A 389 -11.154 5.584 11.748 1.00 41.43 C ATOM 682 O GLY A 389 -11.825 6.578 12.020 1.00 12.42 O ATOM 0 H GLY A 389 -10.292 3.049 11.186 1.00 34.42 H new ATOM 0 HA2 GLY A 389 -11.217 4.804 9.738 1.00 50.24 H new ATOM 0 HA3 GLY A 389 -12.731 4.654 10.608 1.00 50.24 H new ATOM 686 N HIS A 390 -9.983 5.296 12.297 1.00 73.30 N ATOM 687 CA HIS A 390 -9.391 6.167 13.297 1.00 5.40 C ATOM 688 C HIS A 390 -8.187 6.895 12.695 1.00 24.30 C ATOM 689 O HIS A 390 -7.332 6.273 12.066 1.00 61.12 O ATOM 690 CB HIS A 390 -9.037 5.382 14.562 1.00 73.15 C ATOM 691 CG HIS A 390 -10.233 4.996 15.399 1.00 12.52 C ATOM 692 ND1 HIS A 390 -10.210 3.946 16.301 1.00 51.45 N ATOM 693 CD2 HIS A 390 -11.486 5.532 15.464 1.00 71.35 C ATOM 694 CE1 HIS A 390 -11.401 3.862 16.875 1.00 40.01 C ATOM 695 NE2 HIS A 390 -12.191 4.845 16.354 1.00 5.05 N ATOM 0 H HIS A 390 -9.428 4.471 12.068 1.00 73.30 H new ATOM 0 HA HIS A 390 -10.115 6.923 13.600 1.00 5.40 H new ATOM 0 HB2 HIS A 390 -8.498 4.478 14.278 1.00 73.15 H new ATOM 0 HB3 HIS A 390 -8.358 5.980 15.170 1.00 73.15 H new ATOM 0 HD2 HIS A 390 -11.844 6.373 14.889 1.00 71.35 H new ATOM 0 HE1 HIS A 390 -11.695 3.142 17.624 1.00 40.01 H new ATOM 0 HE2 HIS A 390 -13.163 5.023 16.607 1.00 5.05 H new ATOM 703 N LEU A 391 -8.158 8.202 12.909 1.00 23.24 N ATOM 704 CA LEU A 391 -7.073 9.021 12.396 1.00 62.31 C ATOM 705 C LEU A 391 -6.071 9.294 13.519 1.00 4.51 C ATOM 706 O LEU A 391 -6.412 9.199 14.697 1.00 3.50 O ATOM 707 CB LEU A 391 -7.623 10.289 11.740 1.00 62.22 C ATOM 708 CG LEU A 391 -8.985 10.154 11.057 1.00 34.21 C ATOM 709 CD1 LEU A 391 -9.041 8.896 10.188 1.00 20.22 C ATOM 710 CD2 LEU A 391 -10.119 10.192 12.084 1.00 72.13 C ATOM 0 H LEU A 391 -8.869 8.714 13.431 1.00 23.24 H new ATOM 0 HA LEU A 391 -6.534 8.491 11.610 1.00 62.31 H new ATOM 0 HB2 LEU A 391 -7.696 11.066 12.501 1.00 62.22 H new ATOM 0 HB3 LEU A 391 -6.901 10.634 11.000 1.00 62.22 H new ATOM 0 HG LEU A 391 -9.121 11.009 10.395 1.00 34.21 H new ATOM 0 HD11 LEU A 391 -10.020 8.824 9.714 1.00 20.22 H new ATOM 0 HD12 LEU A 391 -8.269 8.950 9.420 1.00 20.22 H new ATOM 0 HD13 LEU A 391 -8.874 8.017 10.810 1.00 20.22 H new ATOM 0 HD21 LEU A 391 -11.077 10.094 11.572 1.00 72.13 H new ATOM 0 HD22 LEU A 391 -9.999 9.370 12.789 1.00 72.13 H new ATOM 0 HD23 LEU A 391 -10.091 11.139 12.623 1.00 72.13 H new ATOM 722 N MET A 392 -4.854 9.629 13.115 1.00 70.13 N ATOM 723 CA MET A 392 -3.800 9.917 14.072 1.00 1.14 C ATOM 724 C MET A 392 -2.551 10.452 13.369 1.00 50.02 C ATOM 725 O MET A 392 -2.495 10.492 12.141 1.00 53.14 O ATOM 726 CB MET A 392 -3.446 8.643 14.842 1.00 73.45 C ATOM 727 CG MET A 392 -2.892 7.571 13.901 1.00 61.31 C ATOM 728 SD MET A 392 -2.807 6.001 14.747 1.00 41.13 S ATOM 729 CE MET A 392 -4.518 5.809 15.217 1.00 52.23 C ATOM 0 H MET A 392 -4.575 9.707 12.137 1.00 70.13 H new ATOM 0 HA MET A 392 -4.161 10.680 14.761 1.00 1.14 H new ATOM 0 HB2 MET A 392 -2.710 8.872 15.612 1.00 73.45 H new ATOM 0 HB3 MET A 392 -4.332 8.263 15.351 1.00 73.45 H new ATOM 0 HG2 MET A 392 -3.528 7.485 13.020 1.00 61.31 H new ATOM 0 HG3 MET A 392 -1.901 7.859 13.551 1.00 61.31 H new ATOM 0 HE1 MET A 392 -4.735 4.753 15.378 1.00 52.23 H new ATOM 0 HE2 MET A 392 -4.707 6.363 16.137 1.00 52.23 H new ATOM 0 HE3 MET A 392 -5.159 6.194 14.424 1.00 52.23 H new ATOM 739 N CYS A 393 -1.580 10.850 14.177 1.00 22.34 N ATOM 740 CA CYS A 393 -0.335 11.381 13.648 1.00 72.53 C ATOM 741 C CYS A 393 0.700 10.254 13.633 1.00 72.11 C ATOM 742 O CYS A 393 1.085 9.746 14.685 1.00 3.50 O ATOM 743 CB CYS A 393 0.150 12.591 14.448 1.00 32.34 C ATOM 744 SG CYS A 393 0.494 12.255 16.214 1.00 22.30 S ATOM 0 H CYS A 393 -1.630 10.815 15.195 1.00 22.34 H new ATOM 0 HA CYS A 393 -0.493 11.741 12.631 1.00 72.53 H new ATOM 0 HB2 CYS A 393 1.057 12.977 13.983 1.00 32.34 H new ATOM 0 HB3 CYS A 393 -0.602 13.378 14.382 1.00 32.34 H new ATOM 749 N THR A 394 1.120 9.896 12.429 1.00 65.33 N ATOM 750 CA THR A 394 2.103 8.838 12.263 1.00 4.41 C ATOM 751 C THR A 394 3.242 9.006 13.272 1.00 75.33 C ATOM 752 O THR A 394 3.496 8.114 14.080 1.00 72.13 O ATOM 753 CB THR A 394 2.574 8.854 10.807 1.00 1.35 C ATOM 754 OG1 THR A 394 1.381 9.068 10.059 1.00 53.41 O ATOM 755 CG2 THR A 394 3.068 7.485 10.337 1.00 65.11 C ATOM 0 H THR A 394 0.798 10.319 11.559 1.00 65.33 H new ATOM 0 HA THR A 394 1.670 7.859 12.469 1.00 4.41 H new ATOM 0 HB THR A 394 3.372 9.587 10.692 1.00 1.35 H new ATOM 0 HG1 THR A 394 1.487 9.862 9.494 1.00 53.41 H new ATOM 0 HG21 THR A 394 3.390 7.552 9.298 1.00 65.11 H new ATOM 0 HG22 THR A 394 3.906 7.168 10.957 1.00 65.11 H new ATOM 0 HG23 THR A 394 2.260 6.758 10.420 1.00 65.11 H new ATOM 763 N SER A 395 3.896 10.155 13.192 1.00 62.24 N ATOM 764 CA SER A 395 5.001 10.451 14.087 1.00 24.54 C ATOM 765 C SER A 395 4.667 9.980 15.504 1.00 12.03 C ATOM 766 O SER A 395 5.541 9.503 16.227 1.00 52.43 O ATOM 767 CB SER A 395 5.325 11.946 14.087 1.00 24.33 C ATOM 768 OG SER A 395 5.600 12.432 12.776 1.00 11.43 O ATOM 0 H SER A 395 3.682 10.892 12.521 1.00 62.24 H new ATOM 0 HA SER A 395 5.882 9.916 13.731 1.00 24.54 H new ATOM 0 HB2 SER A 395 4.486 12.499 14.510 1.00 24.33 H new ATOM 0 HB3 SER A 395 6.185 12.131 14.730 1.00 24.33 H new ATOM 0 HG SER A 395 5.800 13.390 12.818 1.00 11.43 H new ATOM 774 N CYS A 396 3.399 10.130 15.859 1.00 2.45 N ATOM 775 CA CYS A 396 2.938 9.727 17.177 1.00 22.20 C ATOM 776 C CYS A 396 2.802 8.203 17.192 1.00 12.04 C ATOM 777 O CYS A 396 3.315 7.539 18.092 1.00 51.40 O ATOM 778 CB CYS A 396 1.628 10.421 17.555 1.00 22.01 C ATOM 779 SG CYS A 396 1.451 12.127 16.916 1.00 25.34 S ATOM 0 H CYS A 396 2.677 10.525 15.257 1.00 2.45 H new ATOM 0 HA CYS A 396 3.665 10.034 17.929 1.00 22.20 H new ATOM 0 HB2 CYS A 396 0.796 9.822 17.186 1.00 22.01 H new ATOM 0 HB3 CYS A 396 1.546 10.445 18.642 1.00 22.01 H new ATOM 784 N LEU A 397 2.108 7.693 16.186 1.00 74.21 N ATOM 785 CA LEU A 397 1.897 6.260 16.072 1.00 22.44 C ATOM 786 C LEU A 397 3.204 5.530 16.389 1.00 43.01 C ATOM 787 O LEU A 397 3.190 4.452 16.981 1.00 10.13 O ATOM 788 CB LEU A 397 1.315 5.910 14.701 1.00 14.54 C ATOM 789 CG LEU A 397 1.462 4.453 14.261 1.00 24.43 C ATOM 790 CD1 LEU A 397 2.912 4.136 13.890 1.00 44.43 C ATOM 791 CD2 LEU A 397 0.924 3.500 15.330 1.00 32.24 C ATOM 0 H LEU A 397 1.684 8.247 15.442 1.00 74.21 H new ATOM 0 HA LEU A 397 1.158 5.925 16.800 1.00 22.44 H new ATOM 0 HB2 LEU A 397 0.255 6.162 14.704 1.00 14.54 H new ATOM 0 HB3 LEU A 397 1.792 6.544 13.954 1.00 14.54 H new ATOM 0 HG LEU A 397 0.860 4.305 13.365 1.00 24.43 H new ATOM 0 HD11 LEU A 397 2.989 3.094 13.581 1.00 44.43 H new ATOM 0 HD12 LEU A 397 3.227 4.782 13.071 1.00 44.43 H new ATOM 0 HD13 LEU A 397 3.554 4.306 14.754 1.00 44.43 H new ATOM 0 HD21 LEU A 397 1.041 2.470 14.992 1.00 32.24 H new ATOM 0 HD22 LEU A 397 1.479 3.642 16.257 1.00 32.24 H new ATOM 0 HD23 LEU A 397 -0.132 3.707 15.504 1.00 32.24 H new ATOM 803 N THR A 398 4.303 6.147 15.980 1.00 41.00 N ATOM 804 CA THR A 398 5.616 5.570 16.213 1.00 62.24 C ATOM 805 C THR A 398 5.894 5.463 17.713 1.00 14.33 C ATOM 806 O THR A 398 6.370 4.434 18.189 1.00 63.24 O ATOM 807 CB THR A 398 6.645 6.419 15.463 1.00 22.52 C ATOM 808 OG1 THR A 398 6.312 6.236 14.090 1.00 61.42 O ATOM 809 CG2 THR A 398 8.064 5.858 15.580 1.00 31.44 C ATOM 0 H THR A 398 4.311 7.041 15.489 1.00 41.00 H new ATOM 0 HA THR A 398 5.673 4.551 15.831 1.00 62.24 H new ATOM 0 HB THR A 398 6.624 7.438 15.849 1.00 22.52 H new ATOM 0 HG1 THR A 398 6.929 6.754 13.532 1.00 61.42 H new ATOM 0 HG21 THR A 398 8.755 6.498 15.030 1.00 31.44 H new ATOM 0 HG22 THR A 398 8.357 5.825 16.629 1.00 31.44 H new ATOM 0 HG23 THR A 398 8.093 4.851 15.164 1.00 31.44 H new ATOM 817 N ALA A 399 5.583 6.541 18.418 1.00 42.40 N ATOM 818 CA ALA A 399 5.793 6.582 19.855 1.00 0.22 C ATOM 819 C ALA A 399 5.021 5.436 20.512 1.00 61.13 C ATOM 820 O ALA A 399 5.344 5.022 21.624 1.00 63.00 O ATOM 821 CB ALA A 399 5.374 7.951 20.394 1.00 54.41 C ATOM 0 H ALA A 399 5.187 7.393 18.020 1.00 42.40 H new ATOM 0 HA ALA A 399 6.848 6.447 20.092 1.00 0.22 H new ATOM 0 HB1 ALA A 399 5.532 7.981 21.472 1.00 54.41 H new ATOM 0 HB2 ALA A 399 5.972 8.728 19.918 1.00 54.41 H new ATOM 0 HB3 ALA A 399 4.319 8.120 20.177 1.00 54.41 H new ATOM 827 N TRP A 400 4.016 4.955 19.795 1.00 15.42 N ATOM 828 CA TRP A 400 3.195 3.865 20.294 1.00 11.02 C ATOM 829 C TRP A 400 3.881 2.549 19.923 1.00 72.24 C ATOM 830 O TRP A 400 4.315 1.802 20.798 1.00 34.13 O ATOM 831 CB TRP A 400 1.765 3.966 19.760 1.00 61.25 C ATOM 832 CG TRP A 400 0.997 2.643 19.783 1.00 20.23 C ATOM 833 CD1 TRP A 400 0.748 1.815 18.760 1.00 63.34 C ATOM 834 CD2 TRP A 400 0.384 2.025 20.935 1.00 51.14 C ATOM 835 NE1 TRP A 400 0.023 0.713 19.165 1.00 34.00 N ATOM 836 CE2 TRP A 400 -0.206 0.845 20.530 1.00 42.12 C ATOM 837 CE3 TRP A 400 0.330 2.449 22.274 1.00 53.50 C ATOM 838 CZ2 TRP A 400 -0.892 -0.008 21.402 1.00 12.24 C ATOM 839 CZ3 TRP A 400 -0.360 1.586 23.134 1.00 50.04 C ATOM 840 CH2 TRP A 400 -0.959 0.395 22.742 1.00 73.34 C ATOM 0 H TRP A 400 3.752 5.300 18.872 1.00 15.42 H new ATOM 0 HA TRP A 400 3.104 3.916 21.379 1.00 11.02 H new ATOM 0 HB2 TRP A 400 1.219 4.702 20.350 1.00 61.25 H new ATOM 0 HB3 TRP A 400 1.796 4.339 18.736 1.00 61.25 H new ATOM 0 HD1 TRP A 400 1.074 1.988 17.745 1.00 63.34 H new ATOM 0 HE1 TRP A 400 -0.288 -0.057 18.572 1.00 34.00 H new ATOM 0 HE3 TRP A 400 0.785 3.368 22.613 1.00 53.50 H new ATOM 0 HZ2 TRP A 400 -1.345 -0.927 21.060 1.00 12.24 H new ATOM 0 HZ3 TRP A 400 -0.432 1.866 24.175 1.00 50.04 H new ATOM 0 HH2 TRP A 400 -1.474 -0.217 23.467 1.00 73.34 H new ATOM 851 N GLN A 401 3.957 2.305 18.623 1.00 62.14 N ATOM 852 CA GLN A 401 4.583 1.092 18.124 1.00 31.23 C ATOM 853 C GLN A 401 5.946 0.886 18.789 1.00 73.04 C ATOM 854 O GLN A 401 6.465 -0.229 18.815 1.00 2.33 O ATOM 855 CB GLN A 401 4.716 1.130 16.601 1.00 71.54 C ATOM 856 CG GLN A 401 3.345 1.253 15.933 1.00 35.14 C ATOM 857 CD GLN A 401 2.728 -0.126 15.688 1.00 11.25 C ATOM 858 OE1 GLN A 401 3.414 -1.116 15.496 1.00 22.04 O ATOM 859 NE2 GLN A 401 1.398 -0.135 15.706 1.00 1.51 N ATOM 0 H GLN A 401 3.595 2.927 17.900 1.00 62.14 H new ATOM 0 HA GLN A 401 3.945 0.246 18.379 1.00 31.23 H new ATOM 0 HB2 GLN A 401 5.344 1.972 16.308 1.00 71.54 H new ATOM 0 HB3 GLN A 401 5.214 0.225 16.253 1.00 71.54 H new ATOM 0 HG2 GLN A 401 2.681 1.845 16.563 1.00 35.14 H new ATOM 0 HG3 GLN A 401 3.444 1.784 14.986 1.00 35.14 H new ATOM 0 HE21 GLN A 401 0.884 0.730 15.873 1.00 1.51 H new ATOM 0 HE22 GLN A 401 0.892 -1.007 15.553 1.00 1.51 H new ATOM 868 N GLU A 402 6.486 1.978 19.309 1.00 51.34 N ATOM 869 CA GLU A 402 7.778 1.932 19.971 1.00 23.41 C ATOM 870 C GLU A 402 7.920 0.633 20.767 1.00 62.41 C ATOM 871 O GLU A 402 8.783 -0.191 20.468 1.00 21.42 O ATOM 872 CB GLU A 402 7.977 3.152 20.873 1.00 74.52 C ATOM 873 CG GLU A 402 8.817 4.221 20.172 1.00 61.31 C ATOM 874 CD GLU A 402 9.173 5.356 21.134 1.00 62.01 C ATOM 875 OE1 GLU A 402 10.285 5.902 21.064 1.00 35.34 O ATOM 876 OE2 GLU A 402 8.247 5.668 21.976 1.00 70.12 O ATOM 0 H GLU A 402 6.052 2.901 19.285 1.00 51.34 H new ATOM 0 HA GLU A 402 8.556 1.955 19.208 1.00 23.41 H new ATOM 0 HB2 GLU A 402 7.008 3.568 21.147 1.00 74.52 H new ATOM 0 HB3 GLU A 402 8.467 2.849 21.798 1.00 74.52 H new ATOM 0 HG2 GLU A 402 9.730 3.772 19.780 1.00 61.31 H new ATOM 0 HG3 GLU A 402 8.267 4.621 19.320 1.00 61.31 H new ATOM 884 N SER A 403 7.060 0.490 21.765 1.00 40.34 N ATOM 885 CA SER A 403 7.079 -0.694 22.606 1.00 74.44 C ATOM 886 C SER A 403 5.714 -1.386 22.566 1.00 2.42 C ATOM 887 O SER A 403 5.615 -2.587 22.812 1.00 4.33 O ATOM 888 CB SER A 403 7.453 -0.341 24.046 1.00 24.23 C ATOM 889 OG SER A 403 7.636 -1.503 24.850 1.00 24.45 O ATOM 0 H SER A 403 6.345 1.175 22.010 1.00 40.34 H new ATOM 0 HA SER A 403 7.837 -1.376 22.220 1.00 74.44 H new ATOM 0 HB2 SER A 403 8.369 0.249 24.048 1.00 24.23 H new ATOM 0 HB3 SER A 403 6.671 0.282 24.481 1.00 24.23 H new ATOM 0 HG SER A 403 7.875 -1.235 25.762 1.00 24.45 H new ATOM 895 N ASP A 404 4.696 -0.597 22.255 1.00 60.12 N ATOM 896 CA ASP A 404 3.342 -1.118 22.180 1.00 34.11 C ATOM 897 C ASP A 404 3.123 -1.762 20.810 1.00 75.23 C ATOM 898 O ASP A 404 3.445 -2.933 20.611 1.00 11.52 O ATOM 899 CB ASP A 404 2.311 0.000 22.347 1.00 43.51 C ATOM 900 CG ASP A 404 2.065 0.443 23.791 1.00 43.04 C ATOM 901 OD1 ASP A 404 2.770 1.316 24.320 1.00 75.41 O ATOM 902 OD2 ASP A 404 1.090 -0.156 24.386 1.00 50.12 O ATOM 0 H ASP A 404 4.782 0.399 22.052 1.00 60.12 H new ATOM 0 HA ASP A 404 3.217 -1.847 22.981 1.00 34.11 H new ATOM 0 HB2 ASP A 404 2.638 0.864 21.768 1.00 43.51 H new ATOM 0 HB3 ASP A 404 1.365 -0.332 21.918 1.00 43.51 H new ATOM 908 N GLY A 405 2.576 -0.970 19.899 1.00 12.25 N ATOM 909 CA GLY A 405 2.310 -1.448 18.553 1.00 32.04 C ATOM 910 C GLY A 405 1.215 -2.517 18.558 1.00 53.44 C ATOM 911 O GLY A 405 1.113 -3.310 17.623 1.00 52.31 O ATOM 0 H GLY A 405 2.310 0.000 20.067 1.00 12.25 H new ATOM 0 HA2 GLY A 405 2.006 -0.614 17.920 1.00 32.04 H new ATOM 0 HA3 GLY A 405 3.223 -1.859 18.122 1.00 32.04 H new ATOM 915 N GLN A 406 0.423 -2.503 19.620 1.00 62.10 N ATOM 916 CA GLN A 406 -0.660 -3.461 19.758 1.00 35.21 C ATOM 917 C GLN A 406 -1.876 -3.008 18.946 1.00 21.45 C ATOM 918 O GLN A 406 -2.940 -2.750 19.507 1.00 21.10 O ATOM 919 CB GLN A 406 -1.028 -3.664 21.229 1.00 34.42 C ATOM 920 CG GLN A 406 -1.661 -5.040 21.451 1.00 3.12 C ATOM 921 CD GLN A 406 -0.588 -6.127 21.549 1.00 53.11 C ATOM 922 OE1 GLN A 406 0.235 -6.144 22.449 1.00 12.13 O ATOM 923 NE2 GLN A 406 -0.644 -7.031 20.575 1.00 42.33 N ATOM 0 H GLN A 406 0.510 -1.843 20.393 1.00 62.10 H new ATOM 0 HA GLN A 406 -0.323 -4.421 19.366 1.00 35.21 H new ATOM 0 HB2 GLN A 406 -0.136 -3.566 21.848 1.00 34.42 H new ATOM 0 HB3 GLN A 406 -1.722 -2.885 21.545 1.00 34.42 H new ATOM 0 HG2 GLN A 406 -2.256 -5.028 22.364 1.00 3.12 H new ATOM 0 HG3 GLN A 406 -2.341 -5.268 20.630 1.00 3.12 H new ATOM 0 HE21 GLN A 406 -1.359 -6.958 19.852 1.00 42.33 H new ATOM 0 HE22 GLN A 406 0.028 -7.798 20.551 1.00 42.33 H new ATOM 932 N GLY A 407 -1.677 -2.926 17.639 1.00 31.12 N ATOM 933 CA GLY A 407 -2.744 -2.509 16.745 1.00 63.12 C ATOM 934 C GLY A 407 -3.095 -1.036 16.960 1.00 13.33 C ATOM 935 O GLY A 407 -2.325 -0.292 17.566 1.00 70.11 O ATOM 0 H GLY A 407 -0.793 -3.141 17.178 1.00 31.12 H new ATOM 0 HA2 GLY A 407 -2.439 -2.667 15.711 1.00 63.12 H new ATOM 0 HA3 GLY A 407 -3.627 -3.125 16.914 1.00 63.12 H new ATOM 939 N CYS A 408 -4.259 -0.658 16.453 1.00 54.23 N ATOM 940 CA CYS A 408 -4.722 0.713 16.582 1.00 15.41 C ATOM 941 C CYS A 408 -4.744 1.075 18.069 1.00 73.24 C ATOM 942 O CYS A 408 -5.424 0.423 18.860 1.00 61.33 O ATOM 943 CB CYS A 408 -6.090 0.913 15.926 1.00 33.31 C ATOM 944 SG CYS A 408 -6.407 2.607 15.312 1.00 14.34 S ATOM 0 H CYS A 408 -4.896 -1.278 15.952 1.00 54.23 H new ATOM 0 HA CYS A 408 -4.039 1.381 16.056 1.00 15.41 H new ATOM 0 HB2 CYS A 408 -6.183 0.216 15.093 1.00 33.31 H new ATOM 0 HB3 CYS A 408 -6.865 0.652 16.647 1.00 33.31 H new ATOM 949 N PRO A 409 -3.973 2.141 18.412 1.00 24.54 N ATOM 950 CA PRO A 409 -3.897 2.597 19.790 1.00 71.51 C ATOM 951 C PRO A 409 -5.170 3.345 20.190 1.00 11.13 C ATOM 952 O PRO A 409 -5.287 3.818 21.320 1.00 40.44 O ATOM 953 CB PRO A 409 -2.653 3.467 19.848 1.00 3.25 C ATOM 954 CG PRO A 409 -2.339 3.844 18.410 1.00 73.25 C ATOM 955 CD PRO A 409 -3.154 2.937 17.502 1.00 35.23 C ATOM 0 HA PRO A 409 -3.825 1.775 20.502 1.00 71.51 H new ATOM 0 HB2 PRO A 409 -2.826 4.355 20.455 1.00 3.25 H new ATOM 0 HB3 PRO A 409 -1.821 2.928 20.301 1.00 3.25 H new ATOM 0 HG2 PRO A 409 -2.586 4.890 18.227 1.00 73.25 H new ATOM 0 HG3 PRO A 409 -1.274 3.728 18.209 1.00 73.25 H new ATOM 0 HD2 PRO A 409 -3.773 3.516 16.816 1.00 35.23 H new ATOM 0 HD3 PRO A 409 -2.509 2.304 16.893 1.00 35.23 H new ATOM 963 N PHE A 410 -6.092 3.429 19.242 1.00 30.45 N ATOM 964 CA PHE A 410 -7.352 4.111 19.482 1.00 11.42 C ATOM 965 C PHE A 410 -8.423 3.132 19.967 1.00 22.03 C ATOM 966 O PHE A 410 -9.233 3.469 20.829 1.00 11.40 O ATOM 967 CB PHE A 410 -7.796 4.713 18.147 1.00 4.34 C ATOM 968 CG PHE A 410 -7.294 6.139 17.910 1.00 4.13 C ATOM 969 CD1 PHE A 410 -6.064 6.510 18.358 1.00 13.50 C ATOM 970 CD2 PHE A 410 -8.077 7.035 17.252 1.00 42.11 C ATOM 971 CE1 PHE A 410 -5.598 7.834 18.138 1.00 74.30 C ATOM 972 CE2 PHE A 410 -7.611 8.358 17.032 1.00 41.31 C ATOM 973 CZ PHE A 410 -6.382 8.730 17.479 1.00 24.35 C ATOM 0 H PHE A 410 -5.991 3.036 18.306 1.00 30.45 H new ATOM 0 HA PHE A 410 -7.221 4.874 20.250 1.00 11.42 H new ATOM 0 HB2 PHE A 410 -7.443 4.075 17.337 1.00 4.34 H new ATOM 0 HB3 PHE A 410 -8.885 4.710 18.103 1.00 4.34 H new ATOM 0 HD1 PHE A 410 -5.442 5.798 18.881 1.00 13.50 H new ATOM 0 HD2 PHE A 410 -9.053 6.740 16.897 1.00 42.11 H new ATOM 0 HE1 PHE A 410 -4.622 8.129 18.494 1.00 74.30 H new ATOM 0 HE2 PHE A 410 -8.233 9.069 16.509 1.00 41.31 H new ATOM 0 HZ PHE A 410 -6.028 9.736 17.311 1.00 24.35 H new ATOM 983 N CYS A 411 -8.392 1.939 19.393 1.00 64.43 N ATOM 984 CA CYS A 411 -9.349 0.908 19.756 1.00 73.12 C ATOM 985 C CYS A 411 -8.574 -0.350 20.152 1.00 31.13 C ATOM 986 O CYS A 411 -9.138 -1.442 20.198 1.00 62.44 O ATOM 987 CB CYS A 411 -10.342 0.634 18.624 1.00 64.22 C ATOM 988 SG CYS A 411 -9.669 0.874 16.939 1.00 60.31 S ATOM 0 H CYS A 411 -7.719 1.663 18.678 1.00 64.43 H new ATOM 0 HA CYS A 411 -9.947 1.246 20.602 1.00 73.12 H new ATOM 0 HB2 CYS A 411 -10.701 -0.391 18.714 1.00 64.22 H new ATOM 0 HB3 CYS A 411 -11.206 1.286 18.751 1.00 64.22 H new ATOM 993 N ARG A 412 -7.293 -0.154 20.429 1.00 33.53 N ATOM 994 CA ARG A 412 -6.435 -1.260 20.821 1.00 40.35 C ATOM 995 C ARG A 412 -6.784 -2.514 20.016 1.00 14.44 C ATOM 996 O ARG A 412 -6.640 -3.631 20.509 1.00 34.40 O ATOM 997 CB ARG A 412 -6.575 -1.564 22.313 1.00 20.13 C ATOM 998 CG ARG A 412 -5.815 -0.538 23.156 1.00 42.21 C ATOM 999 CD ARG A 412 -4.303 -0.731 23.023 1.00 61.12 C ATOM 1000 NE ARG A 412 -3.931 -2.106 23.426 1.00 1.41 N ATOM 1001 CZ ARG A 412 -3.845 -2.521 24.708 1.00 70.24 C ATOM 1002 NH1 ARG A 412 -4.104 -1.670 25.723 1.00 73.01 N ATOM 1003 NH2 ARG A 412 -3.503 -3.772 24.953 1.00 35.41 N ATOM 0 H ARG A 412 -6.829 0.753 20.390 1.00 33.53 H new ATOM 0 HA ARG A 412 -5.405 -0.969 20.617 1.00 40.35 H new ATOM 0 HB2 ARG A 412 -7.629 -1.559 22.591 1.00 20.13 H new ATOM 0 HB3 ARG A 412 -6.195 -2.564 22.521 1.00 20.13 H new ATOM 0 HG2 ARG A 412 -6.086 0.470 22.840 1.00 42.21 H new ATOM 0 HG3 ARG A 412 -6.107 -0.634 24.202 1.00 42.21 H new ATOM 0 HD2 ARG A 412 -3.994 -0.549 21.994 1.00 61.12 H new ATOM 0 HD3 ARG A 412 -3.779 -0.006 23.646 1.00 61.12 H new ATOM 0 HE ARG A 412 -3.727 -2.782 22.690 1.00 1.41 H new ATOM 0 HH11 ARG A 412 -4.367 -0.705 25.525 1.00 73.01 H new ATOM 0 HH12 ARG A 412 -4.037 -1.992 26.688 1.00 73.01 H new ATOM 0 HH21 ARG A 412 -3.308 -4.408 24.180 1.00 35.41 H new ATOM 0 HH22 ARG A 412 -3.433 -4.102 25.915 1.00 35.41 H new ATOM 1016 N CYS A 413 -7.237 -2.286 18.792 1.00 1.32 N ATOM 1017 CA CYS A 413 -7.608 -3.383 17.915 1.00 21.10 C ATOM 1018 C CYS A 413 -6.656 -3.384 16.718 1.00 63.04 C ATOM 1019 O CYS A 413 -6.317 -2.327 16.188 1.00 15.51 O ATOM 1020 CB CYS A 413 -9.072 -3.289 17.480 1.00 22.41 C ATOM 1021 SG CYS A 413 -9.599 -4.866 16.715 1.00 54.43 S ATOM 0 H CYS A 413 -7.355 -1.357 18.387 1.00 1.32 H new ATOM 0 HA CYS A 413 -7.517 -4.328 18.451 1.00 21.10 H new ATOM 0 HB2 CYS A 413 -9.702 -3.064 18.341 1.00 22.41 H new ATOM 0 HB3 CYS A 413 -9.198 -2.471 16.771 1.00 22.41 H new ATOM 0 HG CYS A 413 -10.844 -4.777 16.351 1.00 54.43 H new ATOM 1027 N GLU A 414 -6.250 -4.583 16.326 1.00 52.14 N ATOM 1028 CA GLU A 414 -5.344 -4.735 15.200 1.00 25.33 C ATOM 1029 C GLU A 414 -5.799 -3.862 14.030 1.00 42.24 C ATOM 1030 O GLU A 414 -6.963 -3.473 13.957 1.00 14.52 O ATOM 1031 CB GLU A 414 -5.234 -6.202 14.780 1.00 64.24 C ATOM 1032 CG GLU A 414 -4.182 -6.381 13.682 1.00 14.43 C ATOM 1033 CD GLU A 414 -3.979 -7.861 13.354 1.00 41.05 C ATOM 1034 OE1 GLU A 414 -2.832 -8.316 13.227 1.00 54.02 O ATOM 1035 OE2 GLU A 414 -5.065 -8.546 13.230 1.00 22.44 O ATOM 0 H GLU A 414 -6.532 -5.458 16.768 1.00 52.14 H new ATOM 0 HA GLU A 414 -4.353 -4.404 15.509 1.00 25.33 H new ATOM 0 HB2 GLU A 414 -4.971 -6.813 15.644 1.00 64.24 H new ATOM 0 HB3 GLU A 414 -6.201 -6.555 14.423 1.00 64.24 H new ATOM 0 HG2 GLU A 414 -4.493 -5.845 12.785 1.00 14.43 H new ATOM 0 HG3 GLU A 414 -3.237 -5.943 14.004 1.00 14.43 H new ATOM 1043 N ILE A 415 -4.857 -3.579 13.142 1.00 25.31 N ATOM 1044 CA ILE A 415 -5.146 -2.759 11.978 1.00 13.03 C ATOM 1045 C ILE A 415 -4.997 -3.606 10.713 1.00 51.12 C ATOM 1046 O ILE A 415 -4.301 -4.620 10.719 1.00 74.21 O ATOM 1047 CB ILE A 415 -4.278 -1.499 11.981 1.00 31.22 C ATOM 1048 CG1 ILE A 415 -3.986 -1.038 13.410 1.00 24.15 C ATOM 1049 CG2 ILE A 415 -4.917 -0.391 11.141 1.00 65.42 C ATOM 1050 CD1 ILE A 415 -3.059 0.179 13.415 1.00 2.20 C ATOM 0 H ILE A 415 -3.892 -3.903 13.206 1.00 25.31 H new ATOM 0 HA ILE A 415 -6.177 -2.407 12.006 1.00 13.03 H new ATOM 0 HB ILE A 415 -3.321 -1.742 11.519 1.00 31.22 H new ATOM 0 HG12 ILE A 415 -4.920 -0.790 13.914 1.00 24.15 H new ATOM 0 HG13 ILE A 415 -3.527 -1.852 13.972 1.00 24.15 H new ATOM 0 HG21 ILE A 415 -4.280 0.493 11.160 1.00 65.42 H new ATOM 0 HG22 ILE A 415 -5.031 -0.734 10.113 1.00 65.42 H new ATOM 0 HG23 ILE A 415 -5.896 -0.142 11.551 1.00 65.42 H new ATOM 0 HD11 ILE A 415 -2.868 0.486 14.443 1.00 2.20 H new ATOM 0 HD12 ILE A 415 -2.117 -0.079 12.932 1.00 2.20 H new ATOM 0 HD13 ILE A 415 -3.531 0.998 12.873 1.00 2.20 H new ATOM 1062 N LYS A 416 -5.662 -3.158 9.658 1.00 61.11 N ATOM 1063 CA LYS A 416 -5.612 -3.862 8.388 1.00 60.13 C ATOM 1064 C LYS A 416 -5.253 -2.874 7.276 1.00 63.41 C ATOM 1065 O LYS A 416 -4.376 -3.148 6.457 1.00 15.21 O ATOM 1066 CB LYS A 416 -6.920 -4.616 8.141 1.00 33.24 C ATOM 1067 CG LYS A 416 -7.496 -5.157 9.451 1.00 33.45 C ATOM 1068 CD LYS A 416 -8.832 -5.864 9.213 1.00 61.45 C ATOM 1069 CE LYS A 416 -9.164 -6.813 10.366 1.00 13.22 C ATOM 1070 NZ LYS A 416 -10.574 -7.256 10.283 1.00 62.32 N ATOM 0 H LYS A 416 -6.238 -2.316 9.657 1.00 61.11 H new ATOM 0 HA LYS A 416 -4.831 -4.622 8.405 1.00 60.13 H new ATOM 0 HB2 LYS A 416 -7.643 -3.952 7.668 1.00 33.24 H new ATOM 0 HB3 LYS A 416 -6.744 -5.440 7.449 1.00 33.24 H new ATOM 0 HG2 LYS A 416 -6.789 -5.852 9.904 1.00 33.45 H new ATOM 0 HG3 LYS A 416 -7.635 -4.338 10.157 1.00 33.45 H new ATOM 0 HD2 LYS A 416 -9.625 -5.124 9.107 1.00 61.45 H new ATOM 0 HD3 LYS A 416 -8.790 -6.423 8.278 1.00 61.45 H new ATOM 0 HE2 LYS A 416 -8.502 -7.679 10.334 1.00 13.22 H new ATOM 0 HE3 LYS A 416 -8.989 -6.313 11.318 1.00 13.22 H new ATOM 0 HZ1 LYS A 416 -10.783 -7.899 11.073 1.00 62.32 H new ATOM 0 HZ2 LYS A 416 -11.202 -6.428 10.335 1.00 62.32 H new ATOM 0 HZ3 LYS A 416 -10.730 -7.752 9.382 1.00 62.32 H new ATOM 1083 N GLY A 417 -5.948 -1.747 7.283 1.00 41.43 N ATOM 1084 CA GLY A 417 -5.713 -0.717 6.285 1.00 52.32 C ATOM 1085 C GLY A 417 -5.022 0.500 6.904 1.00 31.34 C ATOM 1086 O GLY A 417 -5.486 1.037 7.909 1.00 60.10 O ATOM 0 H GLY A 417 -6.674 -1.524 7.964 1.00 41.43 H new ATOM 0 HA2 GLY A 417 -5.097 -1.119 5.481 1.00 52.32 H new ATOM 0 HA3 GLY A 417 -6.661 -0.414 5.840 1.00 52.32 H new ATOM 1090 N THR A 418 -3.924 0.899 6.279 1.00 31.53 N ATOM 1091 CA THR A 418 -3.164 2.042 6.757 1.00 75.53 C ATOM 1092 C THR A 418 -2.322 2.632 5.625 1.00 43.24 C ATOM 1093 O THR A 418 -1.430 1.968 5.098 1.00 53.11 O ATOM 1094 CB THR A 418 -2.334 1.589 7.959 1.00 35.45 C ATOM 1095 OG1 THR A 418 -1.734 0.371 7.528 1.00 60.50 O ATOM 1096 CG2 THR A 418 -3.204 1.175 9.148 1.00 21.45 C ATOM 0 H THR A 418 -3.542 0.451 5.446 1.00 31.53 H new ATOM 0 HA THR A 418 -3.823 2.847 7.084 1.00 75.53 H new ATOM 0 HB THR A 418 -1.664 2.394 8.261 1.00 35.45 H new ATOM 0 HG1 THR A 418 -1.375 0.485 6.623 1.00 60.50 H new ATOM 0 HG21 THR A 418 -2.566 0.862 9.974 1.00 21.45 H new ATOM 0 HG22 THR A 418 -3.817 2.020 9.462 1.00 21.45 H new ATOM 0 HG23 THR A 418 -3.850 0.347 8.855 1.00 21.45 H new ATOM 1104 N GLU A 419 -2.634 3.874 5.284 1.00 64.24 N ATOM 1105 CA GLU A 419 -1.916 4.562 4.224 1.00 71.54 C ATOM 1106 C GLU A 419 -1.691 6.027 4.600 1.00 41.55 C ATOM 1107 O GLU A 419 -2.481 6.610 5.340 1.00 2.53 O ATOM 1108 CB GLU A 419 -2.661 4.445 2.892 1.00 10.24 C ATOM 1109 CG GLU A 419 -4.107 4.925 3.029 1.00 12.54 C ATOM 1110 CD GLU A 419 -5.020 4.210 2.031 1.00 24.32 C ATOM 1111 OE1 GLU A 419 -5.905 3.443 2.440 1.00 43.34 O ATOM 1112 OE2 GLU A 419 -4.784 4.474 0.791 1.00 52.23 O ATOM 0 H GLU A 419 -3.374 4.422 5.723 1.00 64.24 H new ATOM 0 HA GLU A 419 -0.943 4.086 4.101 1.00 71.54 H new ATOM 0 HB2 GLU A 419 -2.149 5.035 2.132 1.00 10.24 H new ATOM 0 HB3 GLU A 419 -2.648 3.409 2.554 1.00 10.24 H new ATOM 0 HG2 GLU A 419 -4.459 4.743 4.044 1.00 12.54 H new ATOM 0 HG3 GLU A 419 -4.154 6.001 2.863 1.00 12.54 H new ATOM 1120 N PRO A 420 -0.581 6.596 4.057 1.00 25.35 N ATOM 1121 CA PRO A 420 -0.241 7.982 4.328 1.00 13.43 C ATOM 1122 C PRO A 420 -1.151 8.932 3.547 1.00 53.23 C ATOM 1123 O PRO A 420 -0.955 9.142 2.351 1.00 44.22 O ATOM 1124 CB PRO A 420 1.223 8.112 3.943 1.00 23.41 C ATOM 1125 CG PRO A 420 1.523 6.926 3.040 1.00 20.02 C ATOM 1126 CD PRO A 420 0.378 5.936 3.176 1.00 71.22 C ATOM 0 HA PRO A 420 -0.389 8.254 5.373 1.00 13.43 H new ATOM 0 HB2 PRO A 420 1.409 9.053 3.426 1.00 23.41 H new ATOM 0 HB3 PRO A 420 1.862 8.102 4.826 1.00 23.41 H new ATOM 0 HG2 PRO A 420 1.626 7.251 2.005 1.00 20.02 H new ATOM 0 HG3 PRO A 420 2.467 6.460 3.323 1.00 20.02 H new ATOM 0 HD2 PRO A 420 -0.066 5.709 2.207 1.00 71.22 H new ATOM 0 HD3 PRO A 420 0.720 4.991 3.599 1.00 71.22 H new ATOM 1134 N ILE A 421 -2.128 9.481 4.254 1.00 3.03 N ATOM 1135 CA ILE A 421 -3.068 10.404 3.642 1.00 74.31 C ATOM 1136 C ILE A 421 -2.747 11.829 4.096 1.00 33.02 C ATOM 1137 O ILE A 421 -1.971 12.027 5.030 1.00 72.32 O ATOM 1138 CB ILE A 421 -4.507 9.974 3.935 1.00 55.55 C ATOM 1139 CG1 ILE A 421 -5.015 10.606 5.232 1.00 0.34 C ATOM 1140 CG2 ILE A 421 -4.632 8.450 3.952 1.00 21.44 C ATOM 1141 CD1 ILE A 421 -5.673 11.961 4.962 1.00 32.30 C ATOM 0 H ILE A 421 -2.289 9.304 5.246 1.00 3.03 H new ATOM 0 HA ILE A 421 -2.968 10.386 2.557 1.00 74.31 H new ATOM 0 HB ILE A 421 -5.143 10.339 3.129 1.00 55.55 H new ATOM 0 HG12 ILE A 421 -5.732 9.938 5.709 1.00 0.34 H new ATOM 0 HG13 ILE A 421 -4.186 10.733 5.928 1.00 0.34 H new ATOM 0 HG21 ILE A 421 -5.665 8.172 4.162 1.00 21.44 H new ATOM 0 HG22 ILE A 421 -4.339 8.050 2.981 1.00 21.44 H new ATOM 0 HG23 ILE A 421 -3.981 8.040 4.724 1.00 21.44 H new ATOM 0 HD11 ILE A 421 -6.025 12.388 5.901 1.00 32.30 H new ATOM 0 HD12 ILE A 421 -4.946 12.634 4.507 1.00 32.30 H new ATOM 0 HD13 ILE A 421 -6.517 11.827 4.285 1.00 32.30 H new ATOM 1153 N ILE A 422 -3.361 12.785 3.415 1.00 44.43 N ATOM 1154 CA ILE A 422 -3.150 14.187 3.737 1.00 62.44 C ATOM 1155 C ILE A 422 -4.503 14.862 3.966 1.00 34.00 C ATOM 1156 O ILE A 422 -5.244 15.114 3.017 1.00 72.00 O ATOM 1157 CB ILE A 422 -2.300 14.862 2.658 1.00 15.21 C ATOM 1158 CG1 ILE A 422 -0.956 14.150 2.493 1.00 11.53 C ATOM 1159 CG2 ILE A 422 -2.127 16.354 2.951 1.00 32.11 C ATOM 1160 CD1 ILE A 422 0.004 14.983 1.641 1.00 71.44 C ATOM 0 H ILE A 422 -4.005 12.617 2.642 1.00 44.43 H new ATOM 0 HA ILE A 422 -2.584 14.285 4.663 1.00 62.44 H new ATOM 0 HB ILE A 422 -2.826 14.779 1.707 1.00 15.21 H new ATOM 0 HG12 ILE A 422 -0.514 13.968 3.473 1.00 11.53 H new ATOM 0 HG13 ILE A 422 -1.111 13.177 2.027 1.00 11.53 H new ATOM 0 HG21 ILE A 422 -1.519 16.810 2.170 1.00 32.11 H new ATOM 0 HG22 ILE A 422 -3.105 16.835 2.978 1.00 32.11 H new ATOM 0 HG23 ILE A 422 -1.634 16.481 3.915 1.00 32.11 H new ATOM 0 HD11 ILE A 422 0.952 14.455 1.539 1.00 71.44 H new ATOM 0 HD12 ILE A 422 -0.430 15.143 0.654 1.00 71.44 H new ATOM 0 HD13 ILE A 422 0.175 15.946 2.122 1.00 71.44 H new ATOM 1172 N VAL A 423 -4.785 15.136 5.231 1.00 32.23 N ATOM 1173 CA VAL A 423 -6.037 15.777 5.597 1.00 23.05 C ATOM 1174 C VAL A 423 -5.937 17.278 5.317 1.00 60.32 C ATOM 1175 O VAL A 423 -4.870 17.871 5.465 1.00 43.01 O ATOM 1176 CB VAL A 423 -6.379 15.463 7.055 1.00 24.14 C ATOM 1177 CG1 VAL A 423 -7.804 15.905 7.392 1.00 51.43 C ATOM 1178 CG2 VAL A 423 -6.180 13.976 7.357 1.00 53.11 C ATOM 0 H VAL A 423 -4.168 14.926 6.016 1.00 32.23 H new ATOM 0 HA VAL A 423 -6.857 15.387 4.993 1.00 23.05 H new ATOM 0 HB VAL A 423 -5.695 16.028 7.688 1.00 24.14 H new ATOM 0 HG11 VAL A 423 -8.021 15.670 8.434 1.00 51.43 H new ATOM 0 HG12 VAL A 423 -7.898 16.979 7.235 1.00 51.43 H new ATOM 0 HG13 VAL A 423 -8.510 15.381 6.747 1.00 51.43 H new ATOM 0 HG21 VAL A 423 -6.430 13.780 8.400 1.00 53.11 H new ATOM 0 HG22 VAL A 423 -6.828 13.384 6.711 1.00 53.11 H new ATOM 0 HG23 VAL A 423 -5.140 13.704 7.176 1.00 53.11 H new ATOM 1188 N ASP A 424 -7.064 17.849 4.917 1.00 64.55 N ATOM 1189 CA ASP A 424 -7.117 19.269 4.614 1.00 63.33 C ATOM 1190 C ASP A 424 -8.276 19.907 5.382 1.00 22.41 C ATOM 1191 O ASP A 424 -9.326 19.290 5.552 1.00 14.03 O ATOM 1192 CB ASP A 424 -7.352 19.505 3.121 1.00 53.13 C ATOM 1193 CG ASP A 424 -6.223 19.029 2.205 1.00 41.54 C ATOM 1194 OD1 ASP A 424 -5.037 19.269 2.475 1.00 1.45 O ATOM 1195 OD2 ASP A 424 -6.607 18.378 1.159 1.00 24.25 O ATOM 0 H ASP A 424 -7.947 17.354 4.796 1.00 64.55 H new ATOM 0 HA ASP A 424 -6.164 19.711 4.903 1.00 63.33 H new ATOM 0 HB2 ASP A 424 -8.273 19.000 2.829 1.00 53.13 H new ATOM 0 HB3 ASP A 424 -7.507 20.571 2.957 1.00 53.13 H new ATOM 1201 N PRO A 425 -8.039 21.166 5.837 1.00 15.14 N ATOM 1202 CA PRO A 425 -9.051 21.894 6.584 1.00 54.34 C ATOM 1203 C PRO A 425 -10.159 22.400 5.657 1.00 65.05 C ATOM 1204 O PRO A 425 -10.074 22.242 4.440 1.00 75.14 O ATOM 1205 CB PRO A 425 -8.297 23.018 7.276 1.00 32.31 C ATOM 1206 CG PRO A 425 -6.981 23.159 6.529 1.00 70.32 C ATOM 1207 CD PRO A 425 -6.807 21.928 5.655 1.00 72.54 C ATOM 0 HA PRO A 425 -9.566 21.269 7.314 1.00 54.34 H new ATOM 0 HB2 PRO A 425 -8.866 23.947 7.244 1.00 32.31 H new ATOM 0 HB3 PRO A 425 -8.126 22.785 8.327 1.00 32.31 H new ATOM 0 HG2 PRO A 425 -6.983 24.063 5.920 1.00 70.32 H new ATOM 0 HG3 PRO A 425 -6.152 23.249 7.230 1.00 70.32 H new ATOM 0 HD2 PRO A 425 -6.662 22.202 4.610 1.00 72.54 H new ATOM 0 HD3 PRO A 425 -5.935 21.348 5.957 1.00 72.54 H new ATOM 1215 N PHE A 426 -11.171 22.998 6.267 1.00 3.04 N ATOM 1216 CA PHE A 426 -12.293 23.528 5.512 1.00 11.00 C ATOM 1217 C PHE A 426 -11.886 24.778 4.729 1.00 62.32 C ATOM 1218 O PHE A 426 -11.053 25.558 5.187 1.00 23.23 O ATOM 1219 CB PHE A 426 -13.376 23.906 6.525 1.00 25.11 C ATOM 1220 CG PHE A 426 -14.473 24.807 5.956 1.00 75.32 C ATOM 1221 CD1 PHE A 426 -15.389 24.298 5.089 1.00 72.53 C ATOM 1222 CD2 PHE A 426 -14.534 26.117 6.317 1.00 63.52 C ATOM 1223 CE1 PHE A 426 -16.408 25.133 4.560 1.00 11.53 C ATOM 1224 CE2 PHE A 426 -15.553 26.953 5.788 1.00 24.53 C ATOM 1225 CZ PHE A 426 -16.468 26.443 4.921 1.00 13.32 C ATOM 0 H PHE A 426 -11.237 23.127 7.277 1.00 3.04 H new ATOM 0 HA PHE A 426 -12.645 22.783 4.798 1.00 11.00 H new ATOM 0 HB2 PHE A 426 -13.833 22.994 6.910 1.00 25.11 H new ATOM 0 HB3 PHE A 426 -12.908 24.410 7.370 1.00 25.11 H new ATOM 0 HD1 PHE A 426 -15.341 23.258 4.803 1.00 72.53 H new ATOM 0 HD2 PHE A 426 -13.807 26.522 7.006 1.00 63.52 H new ATOM 0 HE1 PHE A 426 -17.135 24.728 3.871 1.00 11.53 H new ATOM 0 HE2 PHE A 426 -15.601 27.993 6.074 1.00 24.53 H new ATOM 0 HZ PHE A 426 -17.243 27.079 4.519 1.00 13.32 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.223 12.972 18.322 1.00 10.33 ZN HETATM 1237 ZN ZN A1388 -8.741 2.525 15.562 1.00 14.21 ZN