USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 391 THR OG1 : rot 33:sc= -0.203 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -0.87 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 378 ASN : amide:sc= -7.91! C(o=-8.5!,f=-3.2!) USER MOD Set 2.2: A 383 TYR OH : rot 165:sc= -0.551 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-3.9!) USER MOD Single : A 366 MET CE :methyl -134:sc= -4.82! (180deg=-6.12!) USER MOD Single : A 370 MET CE :methyl 164:sc= -2.1! (180deg=-2.28!) USER MOD Single : A 371 GLN : amide:sc= -0.876 K(o=-0.88,f=-1.8) USER MOD Single : A 372 LYS NZ :NH3+ 142:sc= -3.25! (180deg=-5.95!) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.054) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -170:sc= -2.32! USER MOD Single : A 405 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.27) USER MOD Single : A 412 TYR OH : rot 171:sc= -0.674 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= 0.84 K(o=0.84,f=-2.6!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 430 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.5!) USER MOD Single : A 433 SER OG : rot -12:sc= 0.283 USER MOD Single : A 435 ASN : amide:sc= -0.794 K(o=-0.79,f=-1.3) USER MOD Single : A 443 THR OG1 : rot -57:sc= 0.527 USER MOD Single : A 454 GLN : amide:sc= -0.903 K(o=-0.9,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 10.996 -12.079 -3.858 1.00 11.64 N ATOM 2 CA GLY A 363 10.281 -13.027 -2.959 1.00 11.03 C ATOM 3 C GLY A 363 9.049 -12.409 -2.328 1.00 10.23 C ATOM 4 O GLY A 363 8.804 -12.582 -1.134 1.00 10.21 O ATOM 0 HA2 GLY A 363 9.990 -13.912 -3.526 1.00 11.03 H new ATOM 0 HA3 GLY A 363 10.959 -13.360 -2.174 1.00 11.03 H new ATOM 10 N SER A 364 8.274 -11.688 -3.132 1.00 9.80 N ATOM 11 CA SER A 364 7.057 -11.041 -2.650 1.00 9.25 C ATOM 12 C SER A 364 5.903 -12.039 -2.566 1.00 8.36 C ATOM 13 O SER A 364 4.789 -11.752 -3.007 1.00 8.24 O ATOM 14 CB SER A 364 6.676 -9.879 -3.570 1.00 9.60 C ATOM 15 OG SER A 364 7.710 -8.909 -3.620 1.00 9.86 O ATOM 0 H SER A 364 8.467 -11.536 -4.122 1.00 9.80 H new ATOM 0 HA SER A 364 7.252 -10.656 -1.649 1.00 9.25 H new ATOM 0 HB2 SER A 364 6.477 -10.255 -4.573 1.00 9.60 H new ATOM 0 HB3 SER A 364 5.755 -9.416 -3.215 1.00 9.60 H new ATOM 0 HG SER A 364 7.444 -8.178 -4.215 1.00 9.86 H new ATOM 21 N HIS A 365 6.178 -13.211 -2.003 1.00 7.98 N ATOM 22 CA HIS A 365 5.165 -14.252 -1.866 1.00 7.35 C ATOM 23 C HIS A 365 4.023 -13.792 -0.964 1.00 6.30 C ATOM 24 O HIS A 365 4.248 -13.125 0.046 1.00 6.44 O ATOM 25 CB HIS A 365 5.791 -15.534 -1.307 1.00 7.88 C ATOM 26 CG HIS A 365 6.277 -15.404 0.106 1.00 7.65 C ATOM 27 ND1 HIS A 365 5.434 -15.163 1.171 1.00 7.18 N ATOM 28 CD2 HIS A 365 7.525 -15.479 0.627 1.00 8.07 C ATOM 29 CE1 HIS A 365 6.141 -15.094 2.284 1.00 7.26 C ATOM 30 NE2 HIS A 365 7.412 -15.284 1.982 1.00 7.79 N ATOM 0 H HIS A 365 7.095 -13.464 -1.634 1.00 7.98 H new ATOM 0 HA HIS A 365 4.758 -14.457 -2.856 1.00 7.35 H new ATOM 0 HB2 HIS A 365 5.056 -16.337 -1.356 1.00 7.88 H new ATOM 0 HB3 HIS A 365 6.626 -15.827 -1.943 1.00 7.88 H new ATOM 0 HD2 HIS A 365 8.438 -15.659 0.079 1.00 8.07 H new ATOM 0 HE1 HIS A 365 5.747 -14.913 3.273 1.00 7.26 H new ATOM 0 HE2 HIS A 365 8.185 -15.286 2.647 1.00 7.79 H new ATOM 39 N MET A 366 2.798 -14.157 -1.330 1.00 5.51 N ATOM 40 CA MET A 366 1.627 -13.787 -0.544 1.00 4.67 C ATOM 41 C MET A 366 1.638 -14.509 0.800 1.00 4.56 C ATOM 42 O MET A 366 1.925 -15.704 0.870 1.00 4.71 O ATOM 43 CB MET A 366 0.341 -14.115 -1.305 1.00 4.15 C ATOM 44 CG MET A 366 0.217 -15.577 -1.704 1.00 3.72 C ATOM 45 SD MET A 366 -1.356 -15.948 -2.503 1.00 3.31 S ATOM 46 CE MET A 366 -1.328 -14.790 -3.869 1.00 2.76 C ATOM 0 H MET A 366 2.591 -14.707 -2.164 1.00 5.51 H new ATOM 0 HA MET A 366 1.662 -12.712 -0.366 1.00 4.67 H new ATOM 0 HB2 MET A 366 -0.515 -13.843 -0.687 1.00 4.15 H new ATOM 0 HB3 MET A 366 0.294 -13.498 -2.203 1.00 4.15 H new ATOM 0 HG2 MET A 366 1.033 -15.836 -2.379 1.00 3.72 H new ATOM 0 HG3 MET A 366 0.326 -16.202 -0.818 1.00 3.72 H new ATOM 0 HE1 MET A 366 -2.293 -14.288 -3.940 1.00 2.76 H new ATOM 0 HE2 MET A 366 -0.545 -14.050 -3.703 1.00 2.76 H new ATOM 0 HE3 MET A 366 -1.129 -15.326 -4.797 1.00 2.76 H new ATOM 56 N ASP A 367 1.329 -13.778 1.867 1.00 4.67 N ATOM 57 CA ASP A 367 1.310 -14.356 3.207 1.00 4.80 C ATOM 58 C ASP A 367 0.260 -15.461 3.311 1.00 4.50 C ATOM 59 O ASP A 367 -0.923 -15.224 3.073 1.00 4.10 O ATOM 60 CB ASP A 367 1.025 -13.270 4.246 1.00 4.92 C ATOM 61 CG ASP A 367 2.063 -12.165 4.228 1.00 5.55 C ATOM 62 OD1 ASP A 367 3.255 -12.466 4.451 1.00 6.06 O ATOM 63 OD2 ASP A 367 1.685 -10.999 3.989 1.00 5.80 O ATOM 0 H ASP A 367 1.089 -12.787 1.830 1.00 4.67 H new ATOM 0 HA ASP A 367 2.290 -14.792 3.402 1.00 4.80 H new ATOM 0 HB2 ASP A 367 0.040 -12.842 4.059 1.00 4.92 H new ATOM 0 HB3 ASP A 367 0.994 -13.720 5.238 1.00 4.92 H new ATOM 68 N PRO A 368 0.678 -16.689 3.677 1.00 4.98 N ATOM 69 CA PRO A 368 -0.241 -17.822 3.814 1.00 5.12 C ATOM 70 C PRO A 368 -1.031 -17.770 5.119 1.00 5.15 C ATOM 71 O PRO A 368 -1.300 -18.801 5.738 1.00 5.66 O ATOM 72 CB PRO A 368 0.697 -19.027 3.799 1.00 5.90 C ATOM 73 CG PRO A 368 1.971 -18.520 4.381 1.00 6.16 C ATOM 74 CD PRO A 368 2.071 -17.068 3.986 1.00 5.69 C ATOM 0 HA PRO A 368 -0.997 -17.841 3.029 1.00 5.12 H new ATOM 0 HB2 PRO A 368 0.293 -19.851 4.387 1.00 5.90 H new ATOM 0 HB3 PRO A 368 0.845 -19.401 2.786 1.00 5.90 H new ATOM 0 HG2 PRO A 368 1.973 -18.629 5.466 1.00 6.16 H new ATOM 0 HG3 PRO A 368 2.823 -19.085 4.003 1.00 6.16 H new ATOM 0 HD2 PRO A 368 2.481 -16.461 4.794 1.00 5.69 H new ATOM 0 HD3 PRO A 368 2.723 -16.932 3.123 1.00 5.69 H new ATOM 82 N LEU A 369 -1.392 -16.560 5.534 1.00 4.84 N ATOM 83 CA LEU A 369 -2.137 -16.357 6.760 1.00 5.12 C ATOM 84 C LEU A 369 -2.969 -15.077 6.693 1.00 4.61 C ATOM 85 O LEU A 369 -4.048 -14.997 7.281 1.00 4.91 O ATOM 86 CB LEU A 369 -1.169 -16.330 7.942 1.00 5.80 C ATOM 87 CG LEU A 369 0.090 -15.469 7.768 1.00 6.34 C ATOM 88 CD1 LEU A 369 -0.238 -13.985 7.818 1.00 6.73 C ATOM 89 CD2 LEU A 369 1.119 -15.819 8.832 1.00 6.94 C ATOM 0 H LEU A 369 -1.175 -15.700 5.029 1.00 4.84 H new ATOM 0 HA LEU A 369 -2.834 -17.184 6.895 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -1.709 -15.974 8.819 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -0.858 -17.353 8.153 1.00 5.80 H new ATOM 0 HG LEU A 369 0.508 -15.684 6.784 1.00 6.34 H new ATOM 0 HD11 LEU A 369 0.677 -13.406 7.691 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -0.937 -13.740 7.018 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -0.690 -13.744 8.780 1.00 6.73 H new ATOM 0 HD21 LEU A 369 2.007 -15.201 8.697 1.00 6.94 H new ATOM 0 HD22 LEU A 369 0.697 -15.637 9.820 1.00 6.94 H new ATOM 0 HD23 LEU A 369 1.392 -16.870 8.742 1.00 6.94 H new ATOM 101 N MET A 370 -2.460 -14.087 5.967 1.00 4.12 N ATOM 102 CA MET A 370 -3.144 -12.806 5.807 1.00 3.87 C ATOM 103 C MET A 370 -2.719 -12.141 4.501 1.00 3.02 C ATOM 104 O MET A 370 -2.238 -11.007 4.494 1.00 3.06 O ATOM 105 CB MET A 370 -2.836 -11.871 6.983 1.00 4.63 C ATOM 106 CG MET A 370 -3.388 -12.347 8.317 1.00 5.03 C ATOM 107 SD MET A 370 -3.047 -11.195 9.661 1.00 5.63 S ATOM 108 CE MET A 370 -1.257 -11.156 9.628 1.00 5.52 C ATOM 0 H MET A 370 -1.568 -14.148 5.476 1.00 4.12 H new ATOM 0 HA MET A 370 -4.217 -12.997 5.784 1.00 3.87 H new ATOM 0 HB2 MET A 370 -1.755 -11.757 7.069 1.00 4.63 H new ATOM 0 HB3 MET A 370 -3.244 -10.884 6.765 1.00 4.63 H new ATOM 0 HG2 MET A 370 -4.465 -12.489 8.230 1.00 5.03 H new ATOM 0 HG3 MET A 370 -2.957 -13.319 8.558 1.00 5.03 H new ATOM 0 HE1 MET A 370 -0.901 -10.293 10.192 1.00 5.52 H new ATOM 0 HE2 MET A 370 -0.865 -12.069 10.076 1.00 5.52 H new ATOM 0 HE3 MET A 370 -0.914 -11.082 8.596 1.00 5.52 H new ATOM 118 N GLN A 371 -2.888 -12.864 3.395 1.00 2.80 N ATOM 119 CA GLN A 371 -2.512 -12.354 2.079 1.00 2.63 C ATOM 120 C GLN A 371 -3.509 -11.324 1.565 1.00 2.21 C ATOM 121 O GLN A 371 -3.697 -11.178 0.358 1.00 2.80 O ATOM 122 CB GLN A 371 -2.403 -13.509 1.082 1.00 3.46 C ATOM 123 CG GLN A 371 -3.681 -14.325 0.973 1.00 3.91 C ATOM 124 CD GLN A 371 -3.587 -15.433 -0.055 1.00 4.54 C ATOM 125 OE1 GLN A 371 -2.762 -16.340 0.065 1.00 4.97 O ATOM 126 NE2 GLN A 371 -4.437 -15.367 -1.074 1.00 5.04 N ATOM 0 H GLN A 371 -3.283 -13.804 3.385 1.00 2.80 H new ATOM 0 HA GLN A 371 -1.545 -11.862 2.181 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -2.148 -13.111 0.100 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -1.585 -14.164 1.382 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -3.914 -14.758 1.946 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -4.507 -13.664 0.712 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -5.104 -14.597 -1.133 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -4.423 -16.086 -1.797 1.00 5.04 H new ATOM 135 N LYS A 372 -4.121 -10.605 2.493 1.00 1.82 N ATOM 136 CA LYS A 372 -5.096 -9.564 2.174 1.00 1.77 C ATOM 137 C LYS A 372 -5.342 -8.675 3.388 1.00 1.50 C ATOM 138 O LYS A 372 -5.530 -9.167 4.501 1.00 1.89 O ATOM 139 CB LYS A 372 -6.433 -10.166 1.721 1.00 2.26 C ATOM 140 CG LYS A 372 -6.407 -10.811 0.344 1.00 2.93 C ATOM 141 CD LYS A 372 -7.759 -11.403 -0.035 1.00 3.98 C ATOM 142 CE LYS A 372 -8.095 -12.642 0.788 1.00 4.77 C ATOM 143 NZ LYS A 372 -8.321 -12.324 2.226 1.00 5.39 N ATOM 0 H LYS A 372 -3.958 -10.724 3.493 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.681 -8.972 1.358 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -6.745 -10.913 2.451 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -7.189 -9.381 1.725 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -6.115 -10.068 -0.399 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -5.650 -11.595 0.325 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -8.536 -10.652 0.108 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -7.757 -11.662 -1.094 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -8.987 -13.116 0.379 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -7.283 -13.364 0.701 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -9.097 -12.911 2.594 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -7.453 -12.519 2.765 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -8.571 -11.319 2.324 1.00 5.39 H new ATOM 157 N ILE A 373 -5.341 -7.367 3.166 1.00 1.42 N ATOM 158 CA ILE A 373 -5.566 -6.407 4.240 1.00 1.22 C ATOM 159 C ILE A 373 -7.049 -6.304 4.586 1.00 1.13 C ATOM 160 O ILE A 373 -7.900 -6.251 3.698 1.00 1.20 O ATOM 161 CB ILE A 373 -5.038 -5.014 3.858 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.558 -5.100 3.484 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.249 -4.034 5.003 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.990 -3.804 2.954 1.00 1.48 C ATOM 0 H ILE A 373 -5.187 -6.945 2.250 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.021 -6.769 5.112 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.594 -4.650 2.994 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.988 -5.405 4.361 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.427 -5.878 2.732 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.870 -3.053 4.717 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.313 -3.961 5.228 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.715 -4.386 5.886 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.937 -3.941 2.710 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -3.535 -3.508 2.057 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.089 -3.027 3.712 1.00 1.48 H new ATOM 176 N ASP A 374 -7.353 -6.274 5.879 1.00 1.16 N ATOM 177 CA ASP A 374 -8.734 -6.174 6.335 1.00 1.17 C ATOM 178 C ASP A 374 -9.156 -4.714 6.481 1.00 1.03 C ATOM 179 O ASP A 374 -8.463 -3.919 7.117 1.00 1.25 O ATOM 180 CB ASP A 374 -8.905 -6.904 7.668 1.00 1.40 C ATOM 181 CG ASP A 374 -8.546 -8.373 7.572 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.183 -9.089 6.771 1.00 2.04 O ATOM 183 OD2 ASP A 374 -7.627 -8.808 8.296 1.00 2.17 O ATOM 0 H ASP A 374 -6.663 -6.317 6.629 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.373 -6.643 5.587 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -8.279 -6.428 8.423 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -9.938 -6.806 8.003 1.00 1.40 H new ATOM 188 N ILE A 375 -10.298 -4.370 5.892 1.00 0.84 N ATOM 189 CA ILE A 375 -10.815 -3.006 5.957 1.00 0.76 C ATOM 190 C ILE A 375 -11.824 -2.845 7.082 1.00 0.76 C ATOM 191 O ILE A 375 -11.785 -1.871 7.831 1.00 0.79 O ATOM 192 CB ILE A 375 -11.507 -2.605 4.645 1.00 0.77 C ATOM 193 CG1 ILE A 375 -10.524 -2.662 3.477 1.00 0.82 C ATOM 194 CG2 ILE A 375 -12.113 -1.215 4.781 1.00 0.84 C ATOM 195 CD1 ILE A 375 -11.191 -2.515 2.128 1.00 0.92 C ATOM 0 H ILE A 375 -10.883 -5.017 5.364 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.953 -2.363 6.136 1.00 0.76 H new ATOM 0 HB ILE A 375 -12.309 -3.314 4.439 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.782 -1.872 3.596 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.988 -3.610 3.508 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -12.602 -0.938 3.847 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.846 -1.215 5.588 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -11.326 -0.495 5.006 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -10.437 -2.564 1.342 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -11.913 -3.320 1.989 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -11.704 -1.555 2.079 1.00 0.92 H new ATOM 207 N SER A 376 -12.739 -3.802 7.167 1.00 0.79 N ATOM 208 CA SER A 376 -13.792 -3.786 8.175 1.00 0.87 C ATOM 209 C SER A 376 -13.224 -3.921 9.584 1.00 0.96 C ATOM 210 O SER A 376 -13.361 -4.966 10.223 1.00 1.54 O ATOM 211 CB SER A 376 -14.783 -4.913 7.899 1.00 0.95 C ATOM 212 OG SER A 376 -15.505 -4.677 6.703 1.00 1.71 O ATOM 0 H SER A 376 -12.773 -4.608 6.542 1.00 0.79 H new ATOM 0 HA SER A 376 -14.303 -2.825 8.116 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.249 -5.860 7.824 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.477 -5.004 8.734 1.00 0.95 H new ATOM 0 HG SER A 376 -16.132 -5.414 6.548 1.00 1.71 H new ATOM 218 N GLU A 377 -12.591 -2.857 10.063 1.00 0.93 N ATOM 219 CA GLU A 377 -12.005 -2.849 11.394 1.00 1.03 C ATOM 220 C GLU A 377 -11.450 -1.471 11.732 1.00 0.87 C ATOM 221 O GLU A 377 -11.479 -1.045 12.887 1.00 0.93 O ATOM 222 CB GLU A 377 -10.897 -3.896 11.501 1.00 1.18 C ATOM 223 CG GLU A 377 -9.765 -3.691 10.508 1.00 1.28 C ATOM 224 CD GLU A 377 -8.656 -4.713 10.666 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.946 -5.924 10.569 1.00 1.92 O ATOM 226 OE2 GLU A 377 -7.499 -4.302 10.890 1.00 1.90 O ATOM 0 H GLU A 377 -12.471 -1.986 9.546 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.791 -3.094 12.108 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.489 -3.879 12.512 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.328 -4.885 11.348 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.162 -3.745 9.494 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.352 -2.690 10.635 1.00 1.28 H new ATOM 233 N ASN A 378 -10.941 -0.782 10.716 1.00 0.71 N ATOM 234 CA ASN A 378 -10.372 0.549 10.903 1.00 0.61 C ATOM 235 C ASN A 378 -10.114 1.243 9.566 1.00 0.58 C ATOM 236 O ASN A 378 -8.977 1.595 9.253 1.00 0.59 O ATOM 237 CB ASN A 378 -9.075 0.465 11.719 1.00 0.62 C ATOM 238 CG ASN A 378 -8.081 -0.542 11.166 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.125 -0.917 11.845 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.281 -0.970 9.925 1.00 2.14 N ATOM 0 H ASN A 378 -10.911 -1.122 9.755 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.100 1.147 11.452 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.607 1.449 11.747 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.318 0.198 12.748 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.630 -1.633 9.503 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.085 -0.636 9.394 1.00 2.14 H new ATOM 247 N PRO A 379 -11.168 1.456 8.756 1.00 0.62 N ATOM 248 CA PRO A 379 -11.035 2.121 7.456 1.00 0.65 C ATOM 249 C PRO A 379 -10.324 3.463 7.584 1.00 0.61 C ATOM 250 O PRO A 379 -9.524 3.842 6.727 1.00 0.62 O ATOM 251 CB PRO A 379 -12.483 2.319 7.002 1.00 0.77 C ATOM 252 CG PRO A 379 -13.256 1.268 7.722 1.00 0.85 C ATOM 253 CD PRO A 379 -12.567 1.081 9.045 1.00 0.75 C ATOM 0 HA PRO A 379 -10.439 1.540 6.752 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.843 3.317 7.253 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.577 2.209 5.922 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.293 1.573 7.862 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.271 0.337 7.155 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -13.002 1.715 9.818 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.643 0.052 9.396 1.00 0.75 H new ATOM 261 N ASP A 380 -10.618 4.172 8.670 1.00 0.62 N ATOM 262 CA ASP A 380 -10.009 5.469 8.932 1.00 0.64 C ATOM 263 C ASP A 380 -8.498 5.336 9.103 1.00 0.55 C ATOM 264 O ASP A 380 -7.742 6.235 8.736 1.00 0.55 O ATOM 265 CB ASP A 380 -10.622 6.097 10.186 1.00 0.75 C ATOM 266 CG ASP A 380 -12.120 6.293 10.063 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.836 5.287 9.874 1.00 1.20 O ATOM 268 OD2 ASP A 380 -12.577 7.451 10.157 1.00 1.21 O ATOM 0 H ASP A 380 -11.278 3.867 9.385 1.00 0.62 H new ATOM 0 HA ASP A 380 -10.204 6.115 8.076 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.411 5.462 11.047 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -10.147 7.060 10.376 1.00 0.75 H new ATOM 273 N LYS A 381 -8.069 4.208 9.667 1.00 0.51 N ATOM 274 CA LYS A 381 -6.650 3.952 9.895 1.00 0.47 C ATOM 275 C LYS A 381 -5.836 4.169 8.622 1.00 0.39 C ATOM 276 O LYS A 381 -6.219 3.719 7.542 1.00 0.37 O ATOM 277 CB LYS A 381 -6.440 2.527 10.415 1.00 0.50 C ATOM 278 CG LYS A 381 -4.978 2.137 10.545 1.00 0.52 C ATOM 279 CD LYS A 381 -4.816 0.743 11.124 1.00 0.59 C ATOM 280 CE LYS A 381 -3.354 0.333 11.187 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.183 -1.039 11.741 1.00 1.66 N ATOM 0 H LYS A 381 -8.686 3.456 9.975 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.301 4.660 10.647 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.921 2.430 11.388 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.936 1.827 9.743 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.501 2.182 9.566 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.465 2.857 11.182 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.247 0.711 12.124 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.370 0.028 10.515 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.922 0.377 10.187 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.804 1.044 11.804 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.171 -1.279 11.767 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.572 -1.075 12.705 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.686 -1.722 11.139 1.00 1.66 H new ATOM 295 N ILE A 382 -4.712 4.865 8.760 1.00 0.40 N ATOM 296 CA ILE A 382 -3.836 5.150 7.628 1.00 0.35 C ATOM 297 C ILE A 382 -2.903 3.977 7.341 1.00 0.34 C ATOM 298 O ILE A 382 -2.321 3.401 8.260 1.00 0.41 O ATOM 299 CB ILE A 382 -2.982 6.408 7.889 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.867 7.584 8.318 1.00 0.38 C ATOM 301 CG2 ILE A 382 -2.174 6.767 6.649 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.906 7.979 7.291 1.00 0.37 C ATOM 0 H ILE A 382 -4.385 5.244 9.649 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.480 5.319 6.765 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.289 6.192 8.702 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.371 7.325 9.249 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.233 8.445 8.528 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.577 7.657 6.849 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.515 5.938 6.391 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.851 6.964 5.818 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.491 8.817 7.669 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.410 8.271 6.365 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.566 7.134 7.098 1.00 0.37 H new ATOM 314 N TYR A 383 -2.749 3.638 6.063 1.00 0.30 N ATOM 315 CA TYR A 383 -1.866 2.545 5.671 1.00 0.30 C ATOM 316 C TYR A 383 -0.691 3.075 4.859 1.00 0.28 C ATOM 317 O TYR A 383 -0.839 4.014 4.082 1.00 0.25 O ATOM 318 CB TYR A 383 -2.626 1.486 4.866 1.00 0.32 C ATOM 319 CG TYR A 383 -3.741 0.822 5.638 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.935 1.487 5.883 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.596 -0.472 6.125 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.955 0.881 6.591 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.612 -1.084 6.834 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.788 -0.404 7.062 1.00 0.52 C ATOM 325 OH TYR A 383 -6.803 -1.010 7.765 1.00 0.63 O ATOM 0 H TYR A 383 -3.221 4.102 5.287 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.486 2.078 6.580 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -3.042 1.951 3.972 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.923 0.723 4.531 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -5.068 2.493 5.514 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.675 -1.007 5.946 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.878 1.411 6.774 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.485 -2.089 7.207 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.633 -1.974 7.819 1.00 0.63 H new ATOM 335 N PHE A 384 0.477 2.473 5.049 1.00 0.31 N ATOM 336 CA PHE A 384 1.676 2.894 4.334 1.00 0.30 C ATOM 337 C PHE A 384 1.818 2.129 3.020 1.00 0.28 C ATOM 338 O PHE A 384 1.626 0.915 2.977 1.00 0.33 O ATOM 339 CB PHE A 384 2.919 2.689 5.203 1.00 0.40 C ATOM 340 CG PHE A 384 2.874 3.429 6.514 1.00 0.48 C ATOM 341 CD1 PHE A 384 1.945 3.094 7.489 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.768 4.455 6.774 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.908 3.771 8.694 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.735 5.134 7.977 1.00 0.64 C ATOM 345 CZ PHE A 384 2.805 4.792 8.938 1.00 0.74 C ATOM 0 H PHE A 384 0.619 1.693 5.691 1.00 0.31 H new ATOM 0 HA PHE A 384 1.581 3.956 4.107 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.040 1.624 5.402 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.798 3.011 4.645 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.242 2.295 7.304 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.499 4.727 6.028 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.178 3.502 9.443 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.437 5.933 8.165 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.779 5.322 9.879 1.00 0.74 H new ATOM 355 N ILE A 385 2.149 2.848 1.949 1.00 0.26 N ATOM 356 CA ILE A 385 2.309 2.234 0.632 1.00 0.27 C ATOM 357 C ILE A 385 3.731 2.416 0.114 1.00 0.24 C ATOM 358 O ILE A 385 4.260 3.527 0.112 1.00 0.30 O ATOM 359 CB ILE A 385 1.337 2.832 -0.411 1.00 0.33 C ATOM 360 CG1 ILE A 385 -0.114 2.776 0.074 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.475 2.102 -1.738 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.425 3.751 1.184 1.00 0.32 C ATOM 0 H ILE A 385 2.311 3.855 1.967 1.00 0.26 H new ATOM 0 HA ILE A 385 2.086 1.175 0.762 1.00 0.27 H new ATOM 0 HB ILE A 385 1.602 3.880 -0.549 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.776 2.976 -0.768 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.333 1.766 0.419 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.785 2.533 -2.464 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.497 2.203 -2.104 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.242 1.046 -1.598 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.471 3.651 1.473 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.211 3.539 2.043 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.240 4.768 0.838 1.00 0.32 H new ATOM 374 N ARG A 386 4.340 1.326 -0.339 1.00 0.29 N ATOM 375 CA ARG A 386 5.696 1.384 -0.873 1.00 0.30 C ATOM 376 C ARG A 386 5.675 1.643 -2.376 1.00 0.33 C ATOM 377 O ARG A 386 5.102 0.867 -3.140 1.00 0.42 O ATOM 378 CB ARG A 386 6.446 0.080 -0.593 1.00 0.38 C ATOM 379 CG ARG A 386 7.872 0.085 -1.123 1.00 0.50 C ATOM 380 CD ARG A 386 8.502 -1.294 -1.062 1.00 1.02 C ATOM 381 NE ARG A 386 9.837 -1.318 -1.663 1.00 1.40 N ATOM 382 CZ ARG A 386 10.861 -0.582 -1.232 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.717 0.230 -0.192 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.035 -0.658 -1.844 1.00 2.39 N ATOM 0 H ARG A 386 3.920 0.397 -0.348 1.00 0.29 H new ATOM 0 HA ARG A 386 6.212 2.206 -0.377 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.465 -0.097 0.482 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.901 -0.750 -1.043 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.875 0.441 -2.153 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.473 0.785 -0.542 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.567 -1.616 -0.023 1.00 1.02 H new ATOM 0 HD3 ARG A 386 7.860 -2.008 -1.578 1.00 1.02 H new ATOM 0 HE ARG A 386 9.993 -1.935 -2.460 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.817 0.294 0.284 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.506 0.790 0.131 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.154 -1.279 -2.644 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.819 -0.095 -1.515 1.00 2.39 H new ATOM 398 N ARG A 387 6.318 2.726 -2.796 1.00 0.41 N ATOM 399 CA ARG A 387 6.389 3.069 -4.211 1.00 0.51 C ATOM 400 C ARG A 387 7.449 2.226 -4.908 1.00 0.49 C ATOM 401 O ARG A 387 8.302 1.628 -4.252 1.00 0.47 O ATOM 402 CB ARG A 387 6.695 4.556 -4.394 1.00 0.63 C ATOM 403 CG ARG A 387 5.604 5.473 -3.866 1.00 0.84 C ATOM 404 CD ARG A 387 5.913 6.930 -4.167 1.00 0.94 C ATOM 405 NE ARG A 387 6.062 7.173 -5.600 1.00 1.32 N ATOM 406 CZ ARG A 387 6.343 8.363 -6.122 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.502 9.417 -5.333 1.00 2.30 N ATOM 408 NH2 ARG A 387 6.465 8.499 -7.436 1.00 2.25 N ATOM 0 H ARG A 387 6.797 3.381 -2.178 1.00 0.41 H new ATOM 0 HA ARG A 387 5.419 2.859 -4.661 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.631 4.790 -3.887 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.847 4.759 -5.454 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.649 5.201 -4.315 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.500 5.336 -2.790 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.114 7.559 -3.774 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.829 7.220 -3.653 1.00 0.94 H new ATOM 0 HE ARG A 387 5.944 6.385 -6.236 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.409 9.316 -4.322 1.00 2.30 H new ATOM 0 HH12 ARG A 387 6.718 10.328 -5.737 1.00 2.30 H new ATOM 0 HH21 ARG A 387 6.343 7.691 -8.046 1.00 2.25 H new ATOM 0 HH22 ARG A 387 6.681 9.412 -7.836 1.00 2.25 H new ATOM 422 N GLU A 388 7.391 2.173 -6.235 1.00 0.64 N ATOM 423 CA GLU A 388 8.353 1.395 -7.007 1.00 0.69 C ATOM 424 C GLU A 388 9.779 1.849 -6.713 1.00 0.61 C ATOM 425 O GLU A 388 10.678 1.024 -6.544 1.00 0.63 O ATOM 426 CB GLU A 388 8.059 1.511 -8.504 1.00 0.88 C ATOM 427 CG GLU A 388 6.687 0.990 -8.893 1.00 1.58 C ATOM 428 CD GLU A 388 6.419 1.109 -10.381 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.180 0.513 -11.170 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.450 1.801 -10.755 1.00 2.65 O ATOM 0 H GLU A 388 6.691 2.658 -6.796 1.00 0.64 H new ATOM 0 HA GLU A 388 8.257 0.350 -6.712 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.140 2.556 -8.802 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.819 0.961 -9.059 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.601 -0.055 -8.594 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.924 1.542 -8.345 1.00 1.58 H new ATOM 437 N ASP A 389 9.979 3.162 -6.638 1.00 0.65 N ATOM 438 CA ASP A 389 11.296 3.715 -6.345 1.00 0.69 C ATOM 439 C ASP A 389 11.775 3.230 -4.981 1.00 0.64 C ATOM 440 O ASP A 389 12.961 3.307 -4.657 1.00 0.91 O ATOM 441 CB ASP A 389 11.261 5.248 -6.384 1.00 0.81 C ATOM 442 CG ASP A 389 10.287 5.842 -5.384 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.646 5.062 -4.648 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.163 7.083 -5.334 1.00 1.23 O ATOM 0 H ASP A 389 9.248 3.860 -6.776 1.00 0.65 H new ATOM 0 HA ASP A 389 11.994 3.370 -7.108 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.260 5.634 -6.184 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.988 5.575 -7.387 1.00 0.81 H new ATOM 449 N GLY A 390 10.832 2.727 -4.191 1.00 0.55 N ATOM 450 CA GLY A 390 11.144 2.226 -2.866 1.00 0.53 C ATOM 451 C GLY A 390 11.004 3.289 -1.796 1.00 0.55 C ATOM 452 O GLY A 390 11.827 3.376 -0.885 1.00 1.03 O ATOM 0 H GLY A 390 9.848 2.657 -4.449 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.484 1.391 -2.632 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.163 1.839 -2.858 1.00 0.53 H new ATOM 456 N THR A 391 9.957 4.102 -1.909 1.00 0.57 N ATOM 457 CA THR A 391 9.709 5.168 -0.946 1.00 0.54 C ATOM 458 C THR A 391 8.349 5.007 -0.274 1.00 0.41 C ATOM 459 O THR A 391 7.308 5.168 -0.910 1.00 0.44 O ATOM 460 CB THR A 391 9.782 6.550 -1.616 1.00 0.71 C ATOM 461 OG1 THR A 391 8.764 6.665 -2.618 1.00 0.98 O ATOM 462 CG2 THR A 391 11.146 6.761 -2.248 1.00 0.88 C ATOM 0 H THR A 391 9.267 4.042 -2.658 1.00 0.57 H new ATOM 0 HA THR A 391 10.488 5.096 -0.187 1.00 0.54 H new ATOM 0 HB THR A 391 9.624 7.312 -0.853 1.00 0.71 H new ATOM 0 HG1 THR A 391 7.974 6.156 -2.341 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.181 7.744 -2.718 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.917 6.698 -1.480 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.321 5.992 -3.001 1.00 0.88 H new ATOM 470 N VAL A 392 8.367 4.690 1.017 1.00 0.37 N ATOM 471 CA VAL A 392 7.137 4.512 1.780 1.00 0.33 C ATOM 472 C VAL A 392 6.420 5.845 1.981 1.00 0.32 C ATOM 473 O VAL A 392 7.048 6.852 2.306 1.00 0.41 O ATOM 474 CB VAL A 392 7.420 3.880 3.156 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.120 3.605 3.898 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.237 2.606 3.000 1.00 0.52 C ATOM 0 H VAL A 392 9.221 4.551 1.557 1.00 0.37 H new ATOM 0 HA VAL A 392 6.498 3.842 1.205 1.00 0.33 H new ATOM 0 HB VAL A 392 8.003 4.587 3.747 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.342 3.159 4.867 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.580 4.540 4.044 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.506 2.919 3.315 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.427 2.173 3.982 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.684 1.892 2.390 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.186 2.839 2.516 1.00 0.52 H new ATOM 486 N HIS A 393 5.104 5.841 1.787 1.00 0.29 N ATOM 487 CA HIS A 393 4.299 7.052 1.947 1.00 0.31 C ATOM 488 C HIS A 393 2.883 6.706 2.399 1.00 0.27 C ATOM 489 O HIS A 393 2.288 5.740 1.924 1.00 0.26 O ATOM 490 CB HIS A 393 4.241 7.839 0.635 1.00 0.37 C ATOM 491 CG HIS A 393 5.567 8.381 0.195 1.00 0.92 C ATOM 492 ND1 HIS A 393 6.307 9.263 0.952 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.284 8.159 -0.931 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.423 9.563 0.311 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.433 8.905 -0.834 1.00 1.82 N ATOM 0 H HIS A 393 4.571 5.014 1.519 1.00 0.29 H new ATOM 0 HA HIS A 393 4.773 7.668 2.711 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.845 7.192 -0.148 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.541 8.666 0.749 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.005 7.516 -1.752 1.00 0.94 H new ATOM 0 HE1 HIS A 393 8.195 10.232 0.663 1.00 2.43 H new ATOM 0 HE2 HIS A 393 8.174 8.944 -1.533 1.00 1.82 H new ATOM 504 N ARG A 394 2.353 7.501 3.325 1.00 0.29 N ATOM 505 CA ARG A 394 1.008 7.279 3.851 1.00 0.28 C ATOM 506 C ARG A 394 -0.038 7.260 2.741 1.00 0.26 C ATOM 507 O ARG A 394 0.099 7.943 1.725 1.00 0.32 O ATOM 508 CB ARG A 394 0.648 8.349 4.884 1.00 0.35 C ATOM 509 CG ARG A 394 1.495 8.287 6.143 1.00 0.42 C ATOM 510 CD ARG A 394 0.969 9.233 7.210 1.00 0.52 C ATOM 511 NE ARG A 394 1.029 10.630 6.788 1.00 1.34 N ATOM 512 CZ ARG A 394 0.638 11.647 7.550 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.163 11.423 8.768 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.722 12.890 7.096 1.00 2.96 N ATOM 0 H ARG A 394 2.834 8.305 3.727 1.00 0.29 H new ATOM 0 HA ARG A 394 1.009 6.301 4.332 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.759 9.333 4.429 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.402 8.241 5.157 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.502 7.268 6.529 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.527 8.544 5.903 1.00 0.42 H new ATOM 0 HD2 ARG A 394 -0.062 8.971 7.449 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.550 9.106 8.124 1.00 0.52 H new ATOM 0 HE ARG A 394 1.391 10.837 5.857 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.097 10.469 9.122 1.00 2.41 H new ATOM 0 HH12 ARG A 394 -0.136 12.205 9.350 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.087 13.068 6.160 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.421 13.669 7.682 1.00 2.96 H new ATOM 528 N GLY A 395 -1.085 6.470 2.956 1.00 0.23 N ATOM 529 CA GLY A 395 -2.159 6.354 1.987 1.00 0.25 C ATOM 530 C GLY A 395 -3.331 5.564 2.538 1.00 0.23 C ATOM 531 O GLY A 395 -3.154 4.456 3.048 1.00 0.26 O ATOM 0 H GLY A 395 -1.209 5.902 3.794 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.496 7.349 1.697 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.785 5.868 1.086 1.00 0.25 H new ATOM 535 N GLN A 396 -4.529 6.131 2.450 1.00 0.29 N ATOM 536 CA GLN A 396 -5.720 5.461 2.958 1.00 0.34 C ATOM 537 C GLN A 396 -6.249 4.441 1.955 1.00 0.35 C ATOM 538 O GLN A 396 -6.474 4.761 0.790 1.00 0.46 O ATOM 539 CB GLN A 396 -6.811 6.488 3.267 1.00 0.43 C ATOM 540 CG GLN A 396 -6.382 7.555 4.259 1.00 0.50 C ATOM 541 CD GLN A 396 -7.466 8.576 4.524 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.043 9.147 3.598 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.729 8.825 5.796 1.00 0.61 N ATOM 0 H GLN A 396 -4.701 7.047 2.035 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.444 4.936 3.872 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.117 6.970 2.339 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.685 5.969 3.660 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.099 7.079 5.198 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.495 8.063 3.879 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.224 8.326 6.528 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.437 9.516 6.045 1.00 0.61 H new ATOM 552 N VAL A 397 -6.471 3.217 2.419 1.00 0.33 N ATOM 553 CA VAL A 397 -7.001 2.166 1.563 1.00 0.33 C ATOM 554 C VAL A 397 -8.494 1.985 1.831 1.00 0.33 C ATOM 555 O VAL A 397 -8.914 1.828 2.980 1.00 0.37 O ATOM 556 CB VAL A 397 -6.218 0.841 1.751 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.123 -0.322 2.116 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.431 0.513 0.496 1.00 0.83 C ATOM 0 H VAL A 397 -6.292 2.930 3.381 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.874 2.461 0.522 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.532 0.991 2.585 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.524 -1.225 2.236 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.639 -0.102 3.050 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -7.856 -0.475 1.324 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.886 -0.420 0.642 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.116 0.405 -0.345 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.725 1.317 0.289 1.00 0.83 H new ATOM 568 N LEU A 398 -9.296 2.062 0.773 1.00 0.36 N ATOM 569 CA LEU A 398 -10.746 1.958 0.905 1.00 0.40 C ATOM 570 C LEU A 398 -11.328 0.796 0.104 1.00 0.41 C ATOM 571 O LEU A 398 -12.317 0.188 0.515 1.00 0.47 O ATOM 572 CB LEU A 398 -11.391 3.268 0.446 1.00 0.46 C ATOM 573 CG LEU A 398 -10.864 4.526 1.141 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.427 5.774 0.480 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.211 4.504 2.623 1.00 1.45 C ATOM 0 H LEU A 398 -8.967 2.196 -0.183 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.965 1.767 1.956 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.239 3.374 -0.628 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.467 3.203 0.611 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.779 4.544 1.043 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -11.042 6.659 0.987 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.128 5.797 -0.568 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.515 5.762 0.547 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.828 5.406 3.100 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.294 4.462 2.743 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.760 3.628 3.089 1.00 1.45 H new ATOM 587 N GLN A 399 -10.737 0.508 -1.051 1.00 0.39 N ATOM 588 CA GLN A 399 -11.238 -0.564 -1.907 1.00 0.43 C ATOM 589 C GLN A 399 -10.197 -1.657 -2.113 1.00 0.38 C ATOM 590 O GLN A 399 -9.022 -1.482 -1.794 1.00 0.35 O ATOM 591 CB GLN A 399 -11.669 0.002 -3.260 1.00 0.49 C ATOM 592 CG GLN A 399 -12.753 1.063 -3.160 1.00 0.60 C ATOM 593 CD GLN A 399 -13.126 1.644 -4.509 1.00 1.36 C ATOM 594 OE1 GLN A 399 -13.562 0.927 -5.408 1.00 2.08 O ATOM 595 NE2 GLN A 399 -12.954 2.953 -4.656 1.00 2.04 N ATOM 0 H GLN A 399 -9.918 0.996 -1.414 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.097 -1.010 -1.406 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -10.799 0.429 -3.759 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.028 -0.814 -3.888 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.640 0.629 -2.698 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.412 1.865 -2.505 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.589 3.509 -3.883 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.187 3.402 -5.542 1.00 2.04 H new ATOM 604 N SER A 400 -10.648 -2.790 -2.648 1.00 0.42 N ATOM 605 CA SER A 400 -9.768 -3.925 -2.904 1.00 0.41 C ATOM 606 C SER A 400 -10.447 -4.939 -3.820 1.00 0.47 C ATOM 607 O SER A 400 -11.673 -5.052 -3.833 1.00 0.54 O ATOM 608 CB SER A 400 -9.367 -4.597 -1.594 1.00 0.47 C ATOM 609 OG SER A 400 -10.494 -5.142 -0.931 1.00 0.56 O ATOM 0 H SER A 400 -11.621 -2.945 -2.913 1.00 0.42 H new ATOM 0 HA SER A 400 -8.871 -3.552 -3.399 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.643 -5.387 -1.794 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.876 -3.871 -0.945 1.00 0.47 H new ATOM 0 HG SER A 400 -10.208 -5.568 -0.096 1.00 0.56 H new ATOM 615 N ARG A 401 -9.646 -5.675 -4.587 1.00 0.51 N ATOM 616 CA ARG A 401 -10.181 -6.675 -5.504 1.00 0.60 C ATOM 617 C ARG A 401 -9.108 -7.681 -5.916 1.00 0.73 C ATOM 618 O ARG A 401 -7.986 -7.305 -6.257 1.00 0.86 O ATOM 619 CB ARG A 401 -10.753 -5.994 -6.751 1.00 0.65 C ATOM 620 CG ARG A 401 -9.698 -5.304 -7.602 1.00 0.72 C ATOM 621 CD ARG A 401 -10.313 -4.609 -8.806 1.00 0.91 C ATOM 622 NE ARG A 401 -9.296 -4.016 -9.671 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.576 -3.292 -10.750 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.837 -3.062 -11.091 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.594 -2.794 -11.489 1.00 1.43 N ATOM 0 H ARG A 401 -8.629 -5.598 -4.591 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.974 -7.213 -4.985 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.268 -6.738 -7.358 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.499 -5.260 -6.445 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.161 -4.574 -6.996 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.966 -6.038 -7.940 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.902 -5.326 -9.377 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.998 -3.832 -8.466 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.315 -4.166 -9.433 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.596 -3.441 -10.525 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.048 -2.506 -11.920 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.623 -2.966 -11.230 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.810 -2.239 -12.317 1.00 1.43 H new ATOM 639 N THR A 402 -9.467 -8.961 -5.893 1.00 0.82 N ATOM 640 CA THR A 402 -8.547 -10.023 -6.275 1.00 0.99 C ATOM 641 C THR A 402 -8.838 -10.501 -7.693 1.00 1.16 C ATOM 642 O THR A 402 -8.773 -11.696 -7.982 1.00 1.79 O ATOM 643 CB THR A 402 -8.636 -11.215 -5.307 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.006 -11.583 -5.100 1.00 1.38 O ATOM 645 CG2 THR A 402 -7.980 -10.879 -3.976 1.00 1.29 C ATOM 0 H THR A 402 -10.392 -9.287 -5.613 1.00 0.82 H new ATOM 0 HA THR A 402 -7.539 -9.612 -6.231 1.00 0.99 H new ATOM 0 HB THR A 402 -8.105 -12.057 -5.751 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.051 -12.344 -4.484 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.055 -11.736 -3.307 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.930 -10.636 -4.139 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.485 -10.023 -3.527 1.00 1.29 H new ATOM 653 N THR A 403 -9.159 -9.549 -8.567 1.00 1.43 N ATOM 654 CA THR A 403 -9.472 -9.836 -9.966 1.00 1.62 C ATOM 655 C THR A 403 -10.462 -11.004 -10.080 1.00 1.84 C ATOM 656 O THR A 403 -10.975 -11.496 -9.074 1.00 1.85 O ATOM 657 CB THR A 403 -8.191 -10.147 -10.767 1.00 1.77 C ATOM 658 OG1 THR A 403 -7.133 -9.286 -10.331 1.00 1.78 O ATOM 659 CG2 THR A 403 -8.407 -9.936 -12.258 1.00 1.95 C ATOM 0 H THR A 403 -9.209 -8.559 -8.326 1.00 1.43 H new ATOM 0 HA THR A 403 -9.937 -8.945 -10.389 1.00 1.62 H new ATOM 0 HB THR A 403 -7.932 -11.191 -10.594 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.370 -9.371 -10.940 1.00 1.78 H new ATOM 0 HG21 THR A 403 -7.486 -10.163 -12.795 1.00 1.95 H new ATOM 0 HG22 THR A 403 -9.203 -10.594 -12.607 1.00 1.95 H new ATOM 0 HG23 THR A 403 -8.687 -8.899 -12.442 1.00 1.95 H new ATOM 667 N GLU A 404 -10.739 -11.441 -11.304 1.00 2.08 N ATOM 668 CA GLU A 404 -11.670 -12.543 -11.527 1.00 2.34 C ATOM 669 C GLU A 404 -11.009 -13.887 -11.227 1.00 2.30 C ATOM 670 O GLU A 404 -11.629 -14.779 -10.649 1.00 2.37 O ATOM 671 CB GLU A 404 -12.193 -12.527 -12.966 1.00 2.72 C ATOM 672 CG GLU A 404 -13.208 -11.427 -13.252 1.00 2.91 C ATOM 673 CD GLU A 404 -12.636 -10.027 -13.113 1.00 3.42 C ATOM 674 OE1 GLU A 404 -12.340 -9.620 -11.970 1.00 3.79 O ATOM 675 OE2 GLU A 404 -12.484 -9.338 -14.143 1.00 3.87 O ATOM 0 H GLU A 404 -10.334 -11.051 -12.155 1.00 2.08 H new ATOM 0 HA GLU A 404 -12.511 -12.411 -10.846 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -11.349 -12.412 -13.646 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -12.649 -13.492 -13.185 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -13.595 -11.554 -14.263 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -14.052 -11.536 -12.571 1.00 2.91 H new ATOM 682 N ASN A 405 -9.749 -14.023 -11.634 1.00 2.26 N ATOM 683 CA ASN A 405 -8.999 -15.258 -11.421 1.00 2.30 C ATOM 684 C ASN A 405 -8.919 -15.609 -9.936 1.00 2.07 C ATOM 685 O ASN A 405 -9.221 -16.736 -9.539 1.00 2.40 O ATOM 686 CB ASN A 405 -7.587 -15.117 -12.000 1.00 2.43 C ATOM 687 CG ASN A 405 -6.772 -16.399 -11.918 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.590 -16.412 -12.261 1.00 3.16 O ATOM 689 ND2 ASN A 405 -7.395 -17.487 -11.475 1.00 2.73 N ATOM 0 H ASN A 405 -9.225 -13.291 -12.114 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.524 -16.065 -11.932 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.659 -14.806 -13.042 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -7.061 -14.325 -11.467 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -6.892 -18.372 -11.410 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -8.376 -17.437 -11.200 1.00 2.73 H new ATOM 696 N ALA A 406 -8.496 -14.643 -9.124 1.00 1.82 N ATOM 697 CA ALA A 406 -8.356 -14.838 -7.694 1.00 1.67 C ATOM 698 C ALA A 406 -7.265 -15.848 -7.404 1.00 1.85 C ATOM 699 O ALA A 406 -6.574 -16.313 -8.311 1.00 2.18 O ATOM 700 CB ALA A 406 -9.676 -15.276 -7.074 1.00 1.72 C ATOM 0 H ALA A 406 -8.243 -13.708 -9.443 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.074 -13.886 -7.244 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -9.545 -15.416 -6.001 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.432 -14.511 -7.251 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -9.996 -16.215 -7.526 1.00 1.72 H new ATOM 706 N ALA A 407 -7.118 -16.180 -6.136 1.00 1.91 N ATOM 707 CA ALA A 407 -6.116 -17.133 -5.705 1.00 2.19 C ATOM 708 C ALA A 407 -4.698 -16.651 -6.008 1.00 2.37 C ATOM 709 O ALA A 407 -3.738 -17.413 -5.891 1.00 2.77 O ATOM 710 CB ALA A 407 -6.371 -18.493 -6.337 1.00 2.38 C ATOM 0 H ALA A 407 -7.687 -15.799 -5.380 1.00 1.91 H new ATOM 0 HA ALA A 407 -6.197 -17.227 -4.622 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -5.610 -19.198 -6.003 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.355 -18.854 -6.039 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.331 -18.403 -7.423 1.00 2.38 H new ATOM 716 N ALA A 408 -4.571 -15.380 -6.385 1.00 2.15 N ATOM 717 CA ALA A 408 -3.266 -14.800 -6.690 1.00 2.35 C ATOM 718 C ALA A 408 -3.353 -13.276 -6.825 1.00 2.05 C ATOM 719 O ALA A 408 -2.632 -12.550 -6.139 1.00 1.99 O ATOM 720 CB ALA A 408 -2.682 -15.423 -7.953 1.00 2.76 C ATOM 0 H ALA A 408 -5.354 -14.734 -6.486 1.00 2.15 H new ATOM 0 HA ALA A 408 -2.598 -15.022 -5.857 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.710 -14.977 -8.163 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.565 -16.497 -7.808 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.353 -15.241 -8.792 1.00 2.76 H new ATOM 726 N PRO A 409 -4.242 -12.761 -7.701 1.00 1.99 N ATOM 727 CA PRO A 409 -4.409 -11.315 -7.897 1.00 1.80 C ATOM 728 C PRO A 409 -5.011 -10.631 -6.679 1.00 1.41 C ATOM 729 O PRO A 409 -5.798 -11.226 -5.949 1.00 1.86 O ATOM 730 CB PRO A 409 -5.353 -11.219 -9.092 1.00 2.10 C ATOM 731 CG PRO A 409 -6.106 -12.501 -9.087 1.00 2.49 C ATOM 732 CD PRO A 409 -5.155 -13.537 -8.563 1.00 2.27 C ATOM 0 HA PRO A 409 -3.454 -10.815 -8.057 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.025 -10.366 -8.998 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.801 -11.089 -10.023 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -6.992 -12.430 -8.457 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -6.448 -12.757 -10.090 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.676 -14.312 -8.001 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.618 -14.035 -9.371 1.00 2.27 H new ATOM 740 N ASP A 410 -4.627 -9.374 -6.469 1.00 0.92 N ATOM 741 CA ASP A 410 -5.122 -8.590 -5.341 1.00 0.79 C ATOM 742 C ASP A 410 -4.602 -7.156 -5.412 1.00 0.68 C ATOM 743 O ASP A 410 -3.413 -6.928 -5.632 1.00 0.93 O ATOM 744 CB ASP A 410 -4.713 -9.238 -4.013 1.00 1.18 C ATOM 745 CG ASP A 410 -3.217 -9.475 -3.905 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.500 -9.182 -4.884 1.00 1.99 O ATOM 747 OD2 ASP A 410 -2.760 -9.945 -2.841 1.00 2.14 O ATOM 0 H ASP A 410 -3.971 -8.875 -7.069 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.210 -8.566 -5.395 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.035 -8.600 -3.190 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.235 -10.189 -3.903 1.00 1.18 H new ATOM 752 N GLU A 411 -5.503 -6.194 -5.230 1.00 0.54 N ATOM 753 CA GLU A 411 -5.137 -4.779 -5.280 1.00 0.45 C ATOM 754 C GLU A 411 -6.057 -3.941 -4.403 1.00 0.40 C ATOM 755 O GLU A 411 -7.269 -4.138 -4.395 1.00 0.42 O ATOM 756 CB GLU A 411 -5.195 -4.260 -6.719 1.00 0.49 C ATOM 757 CG GLU A 411 -4.172 -4.893 -7.647 1.00 0.58 C ATOM 758 CD GLU A 411 -4.247 -4.346 -9.059 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.101 -3.469 -9.311 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.453 -4.792 -9.913 1.00 2.08 O ATOM 0 H GLU A 411 -6.491 -6.367 -5.047 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.118 -4.690 -4.903 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.193 -4.439 -7.119 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -5.044 -3.181 -6.711 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.172 -4.723 -7.248 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.327 -5.972 -7.671 1.00 0.58 H new ATOM 767 N TYR A 412 -5.467 -3.004 -3.664 1.00 0.38 N ATOM 768 CA TYR A 412 -6.234 -2.135 -2.778 1.00 0.35 C ATOM 769 C TYR A 412 -6.130 -0.668 -3.195 1.00 0.33 C ATOM 770 O TYR A 412 -5.034 -0.136 -3.372 1.00 0.34 O ATOM 771 CB TYR A 412 -5.757 -2.293 -1.330 1.00 0.39 C ATOM 772 CG TYR A 412 -6.121 -3.620 -0.696 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.750 -4.825 -1.281 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.847 -3.665 0.488 1.00 0.53 C ATOM 775 CE1 TYR A 412 -6.092 -6.033 -0.706 1.00 0.58 C ATOM 776 CE2 TYR A 412 -7.190 -4.869 1.070 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.812 -6.050 0.469 1.00 0.62 C ATOM 778 OH TYR A 412 -7.156 -7.252 1.044 1.00 0.72 O ATOM 0 H TYR A 412 -4.462 -2.828 -3.662 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.279 -2.436 -2.853 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.674 -2.175 -1.301 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.181 -1.488 -0.730 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -5.185 -4.816 -2.201 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -7.148 -2.742 0.961 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.797 -6.960 -1.175 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.752 -4.885 1.992 1.00 0.61 H new ATOM 0 HH TYR A 412 -7.533 -7.093 1.934 1.00 0.72 H new ATOM 788 N TYR A 413 -7.285 -0.017 -3.331 1.00 0.33 N ATOM 789 CA TYR A 413 -7.341 1.394 -3.704 1.00 0.32 C ATOM 790 C TYR A 413 -6.696 2.245 -2.619 1.00 0.32 C ATOM 791 O TYR A 413 -6.929 2.019 -1.436 1.00 0.40 O ATOM 792 CB TYR A 413 -8.795 1.822 -3.899 1.00 0.36 C ATOM 793 CG TYR A 413 -8.962 3.255 -4.360 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.199 3.766 -5.405 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.887 4.095 -3.754 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.353 5.072 -5.829 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.047 5.402 -4.173 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.279 5.885 -5.209 1.00 0.46 C ATOM 799 OH TYR A 413 -9.435 7.187 -5.628 1.00 0.51 O ATOM 0 H TYR A 413 -8.198 -0.448 -3.187 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.797 1.535 -4.638 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.262 1.160 -4.628 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.331 1.689 -2.959 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.474 3.131 -5.893 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.492 3.720 -2.941 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.752 5.454 -6.641 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.771 6.042 -3.690 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.127 7.623 -5.089 1.00 0.51 H new ATOM 809 N VAL A 414 -5.875 3.213 -3.013 1.00 0.33 N ATOM 810 CA VAL A 414 -5.198 4.058 -2.037 1.00 0.33 C ATOM 811 C VAL A 414 -5.364 5.546 -2.327 1.00 0.29 C ATOM 812 O VAL A 414 -5.281 5.990 -3.472 1.00 0.38 O ATOM 813 CB VAL A 414 -3.695 3.732 -1.972 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.004 4.589 -0.924 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.484 2.257 -1.682 1.00 1.15 C ATOM 0 H VAL A 414 -5.664 3.430 -3.987 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.671 3.842 -1.079 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.252 3.959 -2.942 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.943 4.342 -0.895 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.125 5.642 -1.178 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.448 4.398 0.053 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.416 2.044 -1.639 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.943 2.005 -0.726 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.942 1.662 -2.472 1.00 1.15 H new ATOM 825 N HIS A 415 -5.570 6.309 -1.257 1.00 0.33 N ATOM 826 CA HIS A 415 -5.716 7.754 -1.341 1.00 0.32 C ATOM 827 C HIS A 415 -4.625 8.416 -0.507 1.00 0.32 C ATOM 828 O HIS A 415 -4.804 8.666 0.685 1.00 0.34 O ATOM 829 CB HIS A 415 -7.098 8.186 -0.840 1.00 0.37 C ATOM 830 CG HIS A 415 -7.303 9.670 -0.862 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.168 10.430 -2.004 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.629 10.536 0.128 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.399 11.699 -1.717 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.682 11.791 -0.431 1.00 0.62 N ATOM 0 H HIS A 415 -5.640 5.940 -0.309 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.620 8.063 -2.382 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.863 7.712 -1.455 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.237 7.823 0.178 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.927 10.069 -2.927 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.813 10.287 1.163 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.362 12.521 -2.416 1.00 0.60 H new ATOM 843 N TYR A 416 -3.487 8.672 -1.140 1.00 0.37 N ATOM 844 CA TYR A 416 -2.349 9.279 -0.459 1.00 0.40 C ATOM 845 C TYR A 416 -2.742 10.586 0.222 1.00 0.45 C ATOM 846 O TYR A 416 -3.126 11.552 -0.436 1.00 0.57 O ATOM 847 CB TYR A 416 -1.204 9.515 -1.449 1.00 0.46 C ATOM 848 CG TYR A 416 -0.665 8.242 -2.072 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.450 7.470 -2.920 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.633 7.817 -1.814 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.958 6.313 -3.492 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.132 6.660 -2.383 1.00 0.54 C ATOM 853 CZ TYR A 416 0.332 5.912 -3.220 1.00 0.57 C ATOM 854 OH TYR A 416 0.826 4.759 -3.788 1.00 0.65 O ATOM 0 H TYR A 416 -3.327 8.468 -2.127 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.012 8.589 0.315 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.551 10.178 -2.241 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.392 10.030 -0.936 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.462 7.780 -3.135 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.262 8.400 -1.158 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.582 5.725 -4.149 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.143 6.344 -2.173 1.00 0.54 H new ATOM 0 HH TYR A 416 1.751 4.620 -3.495 1.00 0.65 H new ATOM 864 N VAL A 417 -2.646 10.599 1.550 1.00 0.45 N ATOM 865 CA VAL A 417 -2.994 11.778 2.334 1.00 0.55 C ATOM 866 C VAL A 417 -2.107 12.960 1.975 1.00 0.66 C ATOM 867 O VAL A 417 -0.883 12.870 2.025 1.00 1.34 O ATOM 868 CB VAL A 417 -2.875 11.502 3.844 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.236 12.744 4.648 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.759 10.332 4.235 1.00 1.01 C ATOM 0 H VAL A 417 -2.329 9.804 2.105 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.030 12.021 2.096 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.840 11.244 4.069 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.145 12.527 5.712 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.560 13.557 4.384 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.261 13.037 4.423 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.666 10.147 5.305 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.797 10.564 3.996 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.450 9.443 3.685 1.00 1.01 H new ATOM 880 N GLY A 418 -2.741 14.070 1.624 1.00 0.71 N ATOM 881 CA GLY A 418 -2.007 15.272 1.264 1.00 0.82 C ATOM 882 C GLY A 418 -1.407 15.209 -0.131 1.00 0.72 C ATOM 883 O GLY A 418 -1.475 16.182 -0.882 1.00 0.76 O ATOM 0 H GLY A 418 -3.756 14.162 1.581 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.675 16.131 1.327 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -1.209 15.434 1.989 1.00 0.82 H new ATOM 887 N LEU A 419 -0.815 14.068 -0.479 1.00 0.66 N ATOM 888 CA LEU A 419 -0.198 13.890 -1.789 1.00 0.60 C ATOM 889 C LEU A 419 -1.215 14.073 -2.913 1.00 0.59 C ATOM 890 O LEU A 419 -2.411 13.845 -2.729 1.00 0.76 O ATOM 891 CB LEU A 419 0.465 12.513 -1.894 1.00 0.58 C ATOM 892 CG LEU A 419 1.753 12.343 -1.078 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.466 12.390 0.413 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.448 11.042 -1.443 1.00 1.40 C ATOM 0 H LEU A 419 -0.750 13.252 0.130 1.00 0.66 H new ATOM 0 HA LEU A 419 0.568 14.657 -1.898 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.252 11.757 -1.573 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.689 12.315 -2.942 1.00 0.58 H new ATOM 0 HG LEU A 419 2.416 13.173 -1.321 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.397 12.267 0.967 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.017 13.350 0.667 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.778 11.587 0.677 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.359 10.939 -0.854 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.784 10.203 -1.234 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.700 11.049 -2.503 1.00 1.40 H new ATOM 906 N ASN A 420 -0.721 14.502 -4.074 1.00 0.61 N ATOM 907 CA ASN A 420 -1.566 14.741 -5.242 1.00 0.63 C ATOM 908 C ASN A 420 -2.474 13.549 -5.540 1.00 0.56 C ATOM 909 O ASN A 420 -2.086 12.394 -5.359 1.00 0.56 O ATOM 910 CB ASN A 420 -0.696 15.048 -6.462 1.00 0.75 C ATOM 911 CG ASN A 420 0.268 16.191 -6.212 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.144 17.318 -5.936 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.562 15.903 -6.307 1.00 1.98 N ATOM 0 H ASN A 420 0.269 14.692 -4.230 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.203 15.597 -5.019 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.134 14.156 -6.738 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.337 15.295 -7.309 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.259 16.630 -6.149 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.858 14.955 -6.538 1.00 1.98 H new ATOM 920 N ARG A 421 -3.686 13.850 -5.998 1.00 0.62 N ATOM 921 CA ARG A 421 -4.672 12.824 -6.329 1.00 0.67 C ATOM 922 C ARG A 421 -4.146 11.868 -7.397 1.00 0.66 C ATOM 923 O ARG A 421 -4.462 10.680 -7.387 1.00 0.69 O ATOM 924 CB ARG A 421 -5.965 13.477 -6.820 1.00 0.87 C ATOM 925 CG ARG A 421 -6.600 14.417 -5.808 1.00 1.09 C ATOM 926 CD ARG A 421 -7.833 15.096 -6.380 1.00 1.51 C ATOM 927 NE ARG A 421 -8.852 14.131 -6.786 1.00 2.25 N ATOM 928 CZ ARG A 421 -10.013 14.472 -7.336 1.00 3.00 C ATOM 929 NH1 ARG A 421 -10.303 15.749 -7.545 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.887 13.534 -7.678 1.00 3.98 N ATOM 0 H ARG A 421 -4.011 14.805 -6.150 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.870 12.250 -5.424 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.757 14.031 -7.735 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.681 12.696 -7.076 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.873 13.859 -4.912 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.874 15.172 -5.505 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.252 15.773 -5.636 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.547 15.703 -7.239 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.662 13.140 -6.639 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.634 16.473 -7.283 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -11.195 16.007 -7.967 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.668 12.551 -7.519 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.778 13.796 -8.100 1.00 3.98 H new ATOM 944 N ARG A 422 -3.357 12.399 -8.327 1.00 0.71 N ATOM 945 CA ARG A 422 -2.798 11.597 -9.413 1.00 0.83 C ATOM 946 C ARG A 422 -2.102 10.341 -8.886 1.00 0.72 C ATOM 947 O ARG A 422 -2.175 9.278 -9.502 1.00 0.77 O ATOM 948 CB ARG A 422 -1.825 12.438 -10.243 1.00 1.01 C ATOM 949 CG ARG A 422 -0.716 13.073 -9.424 1.00 1.19 C ATOM 950 CD ARG A 422 0.145 13.992 -10.274 1.00 1.49 C ATOM 951 NE ARG A 422 -0.639 15.061 -10.884 1.00 2.09 N ATOM 952 CZ ARG A 422 -0.117 16.023 -11.638 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.190 16.062 -11.862 1.00 3.07 N ATOM 954 NH2 ARG A 422 -0.902 16.952 -12.166 1.00 3.71 N ATOM 0 H ARG A 422 -3.090 13.383 -8.351 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.623 11.274 -10.048 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -1.381 11.808 -11.014 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -2.382 13.223 -10.755 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.149 13.638 -8.599 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.094 12.293 -8.984 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.932 14.426 -9.657 1.00 1.49 H new ATOM 0 HD3 ARG A 422 0.636 13.411 -11.055 1.00 1.49 H new ATOM 0 HE ARG A 422 -1.646 15.070 -10.722 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.799 15.352 -11.455 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.586 16.802 -12.441 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -1.907 16.929 -11.994 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -0.501 17.690 -12.745 1.00 3.71 H new ATOM 968 N LEU A 423 -1.434 10.468 -7.742 1.00 0.65 N ATOM 969 CA LEU A 423 -0.733 9.337 -7.134 1.00 0.62 C ATOM 970 C LEU A 423 -1.704 8.209 -6.789 1.00 0.52 C ATOM 971 O LEU A 423 -1.350 7.032 -6.866 1.00 0.53 O ATOM 972 CB LEU A 423 0.024 9.780 -5.876 1.00 0.69 C ATOM 973 CG LEU A 423 1.389 10.434 -6.123 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.258 11.666 -7.003 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.050 10.796 -4.803 1.00 1.49 C ATOM 0 H LEU A 423 -1.363 11.340 -7.217 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.015 8.963 -7.863 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.602 10.482 -5.325 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.168 8.911 -5.235 1.00 0.69 H new ATOM 0 HG LEU A 423 2.017 9.712 -6.645 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.242 12.107 -7.160 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.830 11.383 -7.964 1.00 1.31 H new ATOM 0 HD13 LEU A 423 0.608 12.393 -6.517 1.00 1.31 H new ATOM 0 HD21 LEU A 423 3.018 11.259 -4.996 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.415 11.495 -4.258 1.00 1.49 H new ATOM 0 HD23 LEU A 423 2.192 9.894 -4.208 1.00 1.49 H new ATOM 987 N ASP A 424 -2.924 8.579 -6.407 1.00 0.49 N ATOM 988 CA ASP A 424 -3.950 7.601 -6.048 1.00 0.50 C ATOM 989 C ASP A 424 -4.061 6.509 -7.107 1.00 0.45 C ATOM 990 O ASP A 424 -4.020 6.789 -8.305 1.00 0.49 O ATOM 991 CB ASP A 424 -5.304 8.293 -5.884 1.00 0.66 C ATOM 992 CG ASP A 424 -5.270 9.403 -4.852 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.225 9.562 -4.190 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.287 10.116 -4.708 1.00 1.20 O ATOM 0 H ASP A 424 -3.227 9.550 -6.338 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.659 7.141 -5.104 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.617 8.704 -6.844 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.052 7.555 -5.594 1.00 0.66 H new ATOM 999 N GLY A 425 -4.203 5.266 -6.658 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.317 4.154 -7.583 1.00 0.50 C ATOM 1001 C GLY A 425 -4.564 2.833 -6.882 1.00 0.45 C ATOM 1002 O GLY A 425 -5.358 2.757 -5.945 1.00 0.70 O ATOM 0 H GLY A 425 -4.241 5.009 -5.672 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.132 4.349 -8.280 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.403 4.082 -8.173 1.00 0.50 H new ATOM 1006 N TRP A 426 -3.884 1.787 -7.343 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.034 0.457 -6.761 1.00 0.44 C ATOM 1008 C TRP A 426 -2.674 -0.158 -6.452 1.00 0.45 C ATOM 1009 O TRP A 426 -1.716 0.006 -7.208 1.00 0.57 O ATOM 1010 CB TRP A 426 -4.824 -0.462 -7.697 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.223 0.009 -7.960 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.600 1.124 -8.654 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.435 -0.617 -7.519 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -7.969 1.224 -8.676 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.505 0.169 -7.986 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.718 -1.766 -6.775 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -9.835 -0.158 -7.735 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.039 -2.090 -6.526 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.083 -1.289 -7.005 1.00 0.59 C ATOM 0 H TRP A 426 -3.223 1.835 -8.119 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.588 0.564 -5.828 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.293 -0.544 -8.645 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -4.861 -1.462 -7.265 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -5.921 1.824 -9.117 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.501 1.965 -9.133 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.919 -2.390 -6.401 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.642 0.458 -8.103 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.269 -2.976 -5.952 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.104 -1.569 -6.794 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.601 -0.856 -5.326 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.366 -1.491 -4.888 1.00 0.46 C ATOM 1032 C VAL A 427 -1.451 -3.004 -5.037 1.00 0.51 C ATOM 1033 O VAL A 427 -2.539 -3.571 -5.036 1.00 0.70 O ATOM 1034 CB VAL A 427 -1.080 -1.177 -3.407 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -1.219 0.311 -3.129 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -2.010 -1.979 -2.508 1.00 0.85 C ATOM 0 H VAL A 427 -3.390 -0.997 -4.695 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.566 -1.097 -5.515 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.051 -1.464 -3.190 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -1.012 0.505 -2.077 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.511 0.864 -3.746 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -2.234 0.632 -3.364 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.797 -1.747 -1.465 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -3.045 -1.721 -2.733 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.855 -3.044 -2.682 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.300 -3.659 -5.138 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.286 -5.106 -5.252 1.00 0.65 C ATOM 1048 C GLY A 428 -0.489 -5.773 -3.902 1.00 0.79 C ATOM 1049 O GLY A 428 0.095 -6.821 -3.628 1.00 1.72 O ATOM 0 H GLY A 428 0.619 -3.217 -5.143 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.070 -5.426 -5.938 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.663 -5.429 -5.680 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.317 -5.146 -3.060 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.615 -5.644 -1.716 1.00 0.54 C ATOM 1055 C ARG A 429 -0.366 -5.595 -0.833 1.00 0.49 C ATOM 1056 O ARG A 429 -0.265 -4.755 0.062 1.00 0.53 O ATOM 1057 CB ARG A 429 -2.186 -7.069 -1.763 1.00 0.68 C ATOM 1058 CG ARG A 429 -3.058 -7.423 -0.566 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.310 -7.301 0.750 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.224 -8.271 0.855 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.376 -8.322 1.878 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.472 -7.445 2.871 1.00 1.73 N ATOM 1063 NH2 ARG A 429 0.575 -9.246 1.906 1.00 1.65 N ATOM 0 H ARG A 429 -1.799 -4.278 -3.293 1.00 0.54 H new ATOM 0 HA ARG A 429 -2.374 -4.993 -1.281 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.772 -7.185 -2.674 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.361 -7.779 -1.822 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -3.929 -6.768 -0.548 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -3.428 -8.442 -0.678 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.906 -6.293 0.845 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.006 -7.445 1.577 1.00 0.85 H new ATOM 0 HE ARG A 429 -1.109 -8.948 0.101 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -1.198 -6.729 2.851 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.180 -7.488 3.654 1.00 1.73 H new ATOM 0 HH21 ARG A 429 0.656 -9.918 1.143 1.00 1.65 H new ATOM 0 HH22 ARG A 429 1.225 -9.285 2.691 1.00 1.65 H new ATOM 1077 N HIS A 430 0.575 -6.504 -1.083 1.00 0.49 N ATOM 1078 CA HIS A 430 1.810 -6.570 -0.306 1.00 0.53 C ATOM 1079 C HIS A 430 2.517 -5.213 -0.252 1.00 0.47 C ATOM 1080 O HIS A 430 3.362 -4.984 0.613 1.00 0.49 O ATOM 1081 CB HIS A 430 2.748 -7.636 -0.880 1.00 0.65 C ATOM 1082 CG HIS A 430 3.190 -7.367 -2.285 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.961 -6.280 -2.638 1.00 1.20 N ATOM 1084 CD2 HIS A 430 2.970 -8.058 -3.430 1.00 1.47 C ATOM 1085 CE1 HIS A 430 4.197 -6.314 -3.937 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.607 -7.382 -4.441 1.00 1.46 N ATOM 0 H HIS A 430 0.505 -7.206 -1.819 1.00 0.49 H new ATOM 0 HA HIS A 430 1.542 -6.846 0.714 1.00 0.53 H new ATOM 0 HB2 HIS A 430 3.628 -7.712 -0.242 1.00 0.65 H new ATOM 0 HB3 HIS A 430 2.246 -8.603 -0.847 1.00 0.65 H new ATOM 0 HD2 HIS A 430 2.400 -8.970 -3.529 1.00 1.47 H new ATOM 0 HE1 HIS A 430 4.775 -5.590 -4.493 1.00 1.31 H new ATOM 0 HE2 HIS A 430 3.622 -7.660 -5.422 1.00 1.46 H new ATOM 1095 N ARG A 431 2.165 -4.315 -1.171 1.00 0.43 N ATOM 1096 CA ARG A 431 2.770 -2.984 -1.206 1.00 0.41 C ATOM 1097 C ARG A 431 2.152 -2.073 -0.148 1.00 0.37 C ATOM 1098 O ARG A 431 2.113 -0.854 -0.316 1.00 0.57 O ATOM 1099 CB ARG A 431 2.591 -2.346 -2.586 1.00 0.44 C ATOM 1100 CG ARG A 431 3.418 -2.993 -3.682 1.00 0.53 C ATOM 1101 CD ARG A 431 3.316 -2.209 -4.982 1.00 0.64 C ATOM 1102 NE ARG A 431 4.190 -2.747 -6.023 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.027 -3.943 -6.582 1.00 2.05 C ATOM 1104 NH1 ARG A 431 3.006 -4.711 -6.229 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.882 -4.367 -7.503 1.00 2.84 N ATOM 0 H ARG A 431 1.469 -4.483 -1.897 1.00 0.43 H new ATOM 0 HA ARG A 431 3.833 -3.101 -0.996 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.538 -2.396 -2.863 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.854 -1.290 -2.523 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.461 -3.050 -3.369 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.077 -4.016 -3.843 1.00 0.53 H new ATOM 0 HD2 ARG A 431 2.284 -2.224 -5.333 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.574 -1.166 -4.796 1.00 0.64 H new ATOM 0 HE ARG A 431 4.971 -2.172 -6.339 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.342 -4.386 -5.526 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.884 -5.627 -6.660 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.665 -3.776 -7.783 1.00 2.84 H new ATOM 0 HH22 ARG A 431 4.757 -5.284 -7.931 1.00 2.84 H new ATOM 1119 N ILE A 432 1.679 -2.668 0.944 1.00 0.39 N ATOM 1120 CA ILE A 432 1.071 -1.910 2.030 1.00 0.36 C ATOM 1121 C ILE A 432 1.277 -2.610 3.368 1.00 0.38 C ATOM 1122 O ILE A 432 1.157 -3.832 3.466 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.445 -1.697 1.813 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -0.700 -0.869 0.550 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.061 -1.023 3.033 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.160 -0.525 0.324 1.00 0.46 C ATOM 0 H ILE A 432 1.706 -3.676 1.099 1.00 0.39 H new ATOM 0 HA ILE A 432 1.565 -0.938 2.039 1.00 0.36 H new ATOM 0 HB ILE A 432 -0.917 -2.670 1.679 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.125 0.055 0.611 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.329 -1.419 -0.314 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.129 -0.878 2.868 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -0.911 -1.652 3.911 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -0.584 -0.056 3.194 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.258 0.062 -0.589 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -2.740 -1.443 0.230 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -2.532 0.054 1.169 1.00 0.46 H new ATOM 1138 N SER A 433 1.581 -1.826 4.398 1.00 0.34 N ATOM 1139 CA SER A 433 1.800 -2.361 5.738 1.00 0.38 C ATOM 1140 C SER A 433 1.739 -1.251 6.780 1.00 0.36 C ATOM 1141 O SER A 433 2.228 -0.144 6.552 1.00 0.34 O ATOM 1142 CB SER A 433 3.152 -3.072 5.825 1.00 0.41 C ATOM 1143 OG SER A 433 3.211 -4.178 4.940 1.00 0.53 O ATOM 0 H SER A 433 1.682 -0.813 4.330 1.00 0.34 H new ATOM 0 HA SER A 433 1.007 -3.081 5.941 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.951 -2.370 5.586 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.321 -3.412 6.847 1.00 0.41 H new ATOM 0 HG SER A 433 2.314 -4.370 4.596 1.00 0.53 H new ATOM 1149 N ASP A 434 1.133 -1.557 7.921 1.00 0.43 N ATOM 1150 CA ASP A 434 1.002 -0.592 9.005 1.00 0.48 C ATOM 1151 C ASP A 434 2.364 -0.038 9.422 1.00 0.48 C ATOM 1152 O ASP A 434 2.454 1.061 9.968 1.00 0.74 O ATOM 1153 CB ASP A 434 0.300 -1.233 10.203 1.00 0.60 C ATOM 1154 CG ASP A 434 1.018 -2.470 10.707 1.00 0.83 C ATOM 1155 OD1 ASP A 434 2.188 -2.347 11.126 1.00 1.35 O ATOM 1156 OD2 ASP A 434 0.411 -3.561 10.684 1.00 1.12 O ATOM 0 H ASP A 434 0.723 -2.470 8.120 1.00 0.43 H new ATOM 0 HA ASP A 434 0.398 0.240 8.644 1.00 0.48 H new ATOM 0 HB2 ASP A 434 0.229 -0.504 11.010 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.719 -1.498 9.923 1.00 0.60 H new ATOM 1161 N ASN A 435 3.422 -0.803 9.160 1.00 0.43 N ATOM 1162 CA ASN A 435 4.773 -0.376 9.510 1.00 0.47 C ATOM 1163 C ASN A 435 5.575 -0.016 8.261 1.00 0.39 C ATOM 1164 O ASN A 435 5.623 -0.776 7.296 1.00 0.38 O ATOM 1165 CB ASN A 435 5.491 -1.468 10.311 1.00 0.59 C ATOM 1166 CG ASN A 435 5.481 -2.815 9.613 1.00 1.26 C ATOM 1167 OD1 ASN A 435 6.022 -2.969 8.519 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.860 -3.803 10.247 1.00 1.81 N ATOM 0 H ASN A 435 3.370 -1.716 8.709 1.00 0.43 H new ATOM 0 HA ASN A 435 4.694 0.517 10.131 1.00 0.47 H new ATOM 0 HB2 ASN A 435 6.523 -1.163 10.487 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.017 -1.567 11.287 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.819 -4.732 9.828 1.00 1.81 H new ATOM 0 HD22 ASN A 435 4.424 -3.633 11.153 1.00 1.81 H new ATOM 1175 N ALA A 436 6.193 1.162 8.290 1.00 0.49 N ATOM 1176 CA ALA A 436 6.988 1.645 7.166 1.00 0.55 C ATOM 1177 C ALA A 436 8.324 0.914 7.066 1.00 0.55 C ATOM 1178 O ALA A 436 8.856 0.732 5.973 1.00 0.54 O ATOM 1179 CB ALA A 436 7.214 3.143 7.287 1.00 0.75 C ATOM 0 H ALA A 436 6.158 1.802 9.084 1.00 0.49 H new ATOM 0 HA ALA A 436 6.430 1.440 6.252 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.809 3.491 6.442 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.253 3.657 7.290 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.743 3.357 8.216 1.00 0.75 H new ATOM 1185 N ASP A 437 8.860 0.514 8.215 1.00 0.65 N ATOM 1186 CA ASP A 437 10.142 -0.188 8.275 1.00 0.75 C ATOM 1187 C ASP A 437 10.240 -1.279 7.210 1.00 0.71 C ATOM 1188 O ASP A 437 10.904 -1.101 6.188 1.00 0.78 O ATOM 1189 CB ASP A 437 10.347 -0.798 9.663 1.00 0.92 C ATOM 1190 CG ASP A 437 10.378 0.250 10.760 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.242 1.448 10.439 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.535 -0.128 11.941 1.00 1.34 O ATOM 0 H ASP A 437 8.424 0.665 9.125 1.00 0.65 H new ATOM 0 HA ASP A 437 10.926 0.544 8.080 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.545 -1.508 9.866 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.281 -1.360 9.675 1.00 0.92 H new ATOM 1197 N ASP A 438 9.588 -2.408 7.465 1.00 0.68 N ATOM 1198 CA ASP A 438 9.606 -3.539 6.539 1.00 0.73 C ATOM 1199 C ASP A 438 9.331 -3.100 5.101 1.00 0.73 C ATOM 1200 O ASP A 438 9.928 -3.625 4.161 1.00 1.35 O ATOM 1201 CB ASP A 438 8.574 -4.585 6.965 1.00 0.88 C ATOM 1202 CG ASP A 438 8.857 -5.149 8.344 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.878 -4.362 9.314 1.00 1.56 O ATOM 1204 OD2 ASP A 438 9.056 -6.377 8.452 1.00 1.36 O ATOM 0 H ASP A 438 9.037 -2.566 8.309 1.00 0.68 H new ATOM 0 HA ASP A 438 10.605 -3.974 6.572 1.00 0.73 H new ATOM 0 HB2 ASP A 438 7.581 -4.136 6.956 1.00 0.88 H new ATOM 0 HB3 ASP A 438 8.563 -5.397 6.238 1.00 0.88 H new ATOM 1209 N LEU A 439 8.419 -2.147 4.932 1.00 0.54 N ATOM 1210 CA LEU A 439 8.065 -1.658 3.602 1.00 0.53 C ATOM 1211 C LEU A 439 9.261 -1.036 2.888 1.00 0.61 C ATOM 1212 O LEU A 439 9.468 -1.267 1.699 1.00 0.86 O ATOM 1213 CB LEU A 439 6.940 -0.629 3.699 1.00 0.52 C ATOM 1214 CG LEU A 439 5.599 -1.174 4.190 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.606 -0.041 4.382 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.049 -2.197 3.210 1.00 1.10 C ATOM 0 H LEU A 439 7.913 -1.699 5.696 1.00 0.54 H new ATOM 0 HA LEU A 439 7.731 -2.517 3.020 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.257 0.170 4.370 1.00 0.52 H new ATOM 0 HB3 LEU A 439 6.794 -0.181 2.716 1.00 0.52 H new ATOM 0 HG LEU A 439 5.757 -1.665 5.150 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.656 -0.445 4.732 1.00 1.12 H new ATOM 0 HD12 LEU A 439 4.994 0.662 5.119 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.454 0.474 3.434 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.094 -2.574 3.576 1.00 1.10 H new ATOM 0 HD22 LEU A 439 4.905 -1.728 2.237 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.753 -3.024 3.114 1.00 1.10 H new ATOM 1228 N GLY A 440 10.049 -0.251 3.613 1.00 0.59 N ATOM 1229 CA GLY A 440 11.208 0.380 3.012 1.00 0.77 C ATOM 1230 C GLY A 440 11.774 1.504 3.860 1.00 0.96 C ATOM 1231 O GLY A 440 12.475 2.377 3.349 1.00 1.36 O ATOM 0 H GLY A 440 9.907 -0.041 4.601 1.00 0.59 H new ATOM 0 HA2 GLY A 440 11.981 -0.371 2.850 1.00 0.77 H new ATOM 0 HA3 GLY A 440 10.935 0.773 2.033 1.00 0.77 H new ATOM 1235 N GLY A 441 11.473 1.485 5.157 1.00 0.93 N ATOM 1236 CA GLY A 441 11.969 2.520 6.048 1.00 1.24 C ATOM 1237 C GLY A 441 11.422 3.894 5.703 1.00 1.14 C ATOM 1238 O GLY A 441 11.069 4.154 4.555 1.00 1.83 O ATOM 0 H GLY A 441 10.896 0.773 5.605 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.699 2.272 7.074 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.058 2.544 6.002 1.00 1.24 H new ATOM 1242 N ILE A 442 11.353 4.773 6.700 1.00 1.10 N ATOM 1243 CA ILE A 442 10.850 6.129 6.493 1.00 1.03 C ATOM 1244 C ILE A 442 11.680 6.850 5.433 1.00 1.05 C ATOM 1245 O ILE A 442 12.621 7.573 5.758 1.00 1.39 O ATOM 1246 CB ILE A 442 10.881 6.945 7.803 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.106 6.219 8.909 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.312 8.339 7.576 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.637 6.017 8.600 1.00 1.48 C ATOM 0 H ILE A 442 11.639 4.571 7.658 1.00 1.10 H new ATOM 0 HA ILE A 442 9.817 6.046 6.156 1.00 1.03 H new ATOM 0 HB ILE A 442 11.919 7.045 8.122 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.567 5.247 9.084 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.197 6.786 9.835 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.341 8.901 8.510 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.906 8.856 6.823 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.280 8.260 7.233 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.159 5.497 9.430 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.159 6.986 8.455 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.535 5.423 7.692 1.00 1.48 H new ATOM 1261 N THR A 443 11.329 6.626 4.164 1.00 1.13 N ATOM 1262 CA THR A 443 12.035 7.225 3.028 1.00 1.36 C ATOM 1263 C THR A 443 13.542 7.141 3.205 1.00 1.47 C ATOM 1264 O THR A 443 14.293 8.035 2.810 1.00 2.20 O ATOM 1265 CB THR A 443 11.611 8.683 2.786 1.00 2.21 C ATOM 1266 OG1 THR A 443 12.167 9.159 1.555 1.00 3.05 O ATOM 1267 CG2 THR A 443 12.047 9.596 3.923 1.00 2.78 C ATOM 0 H THR A 443 10.549 6.026 3.895 1.00 1.13 H new ATOM 0 HA THR A 443 11.755 6.645 2.149 1.00 1.36 H new ATOM 0 HB THR A 443 10.522 8.701 2.735 1.00 2.21 H new ATOM 0 HG1 THR A 443 13.142 9.064 1.578 1.00 3.05 H new ATOM 0 HG21 THR A 443 11.728 10.617 3.713 1.00 2.78 H new ATOM 0 HG22 THR A 443 11.593 9.259 4.855 1.00 2.78 H new ATOM 0 HG23 THR A 443 13.133 9.567 4.017 1.00 2.78 H new ATOM 1275 N VAL A 444 13.964 6.041 3.798 1.00 1.90 N ATOM 1276 CA VAL A 444 15.379 5.779 4.048 1.00 2.70 C ATOM 1277 C VAL A 444 15.958 4.843 2.986 1.00 3.02 C ATOM 1278 O VAL A 444 16.351 3.714 3.284 1.00 3.60 O ATOM 1279 CB VAL A 444 15.607 5.164 5.446 1.00 3.53 C ATOM 1280 CG1 VAL A 444 17.094 5.007 5.732 1.00 4.18 C ATOM 1281 CG2 VAL A 444 14.946 6.011 6.521 1.00 4.02 C ATOM 0 H VAL A 444 13.341 5.301 4.122 1.00 1.90 H new ATOM 0 HA VAL A 444 15.891 6.740 4.002 1.00 2.70 H new ATOM 0 HB VAL A 444 15.150 4.175 5.458 1.00 3.53 H new ATOM 0 HG11 VAL A 444 17.230 4.572 6.722 1.00 4.18 H new ATOM 0 HG12 VAL A 444 17.541 4.353 4.984 1.00 4.18 H new ATOM 0 HG13 VAL A 444 17.577 5.984 5.695 1.00 4.18 H new ATOM 0 HG21 VAL A 444 15.119 5.559 7.498 1.00 4.02 H new ATOM 0 HG22 VAL A 444 15.370 7.015 6.505 1.00 4.02 H new ATOM 0 HG23 VAL A 444 13.874 6.067 6.332 1.00 4.02 H new ATOM 1291 N LEU A 445 16.004 5.312 1.744 1.00 3.13 N ATOM 1292 CA LEU A 445 16.535 4.506 0.650 1.00 3.83 C ATOM 1293 C LEU A 445 18.025 4.229 0.851 1.00 4.75 C ATOM 1294 O LEU A 445 18.787 5.127 1.211 1.00 4.99 O ATOM 1295 CB LEU A 445 16.302 5.190 -0.701 1.00 3.87 C ATOM 1296 CG LEU A 445 14.843 5.229 -1.169 1.00 3.48 C ATOM 1297 CD1 LEU A 445 14.032 6.216 -0.343 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.768 5.578 -2.647 1.00 3.70 C ATOM 0 H LEU A 445 15.682 6.240 1.470 1.00 3.13 H new ATOM 0 HA LEU A 445 16.002 3.555 0.651 1.00 3.83 H new ATOM 0 HB2 LEU A 445 16.675 6.212 -0.642 1.00 3.87 H new ATOM 0 HB3 LEU A 445 16.896 4.677 -1.457 1.00 3.87 H new ATOM 0 HG LEU A 445 14.414 4.238 -1.025 1.00 3.48 H new ATOM 0 HD11 LEU A 445 13.001 6.224 -0.696 1.00 3.82 H new ATOM 0 HD12 LEU A 445 14.055 5.918 0.705 1.00 3.82 H new ATOM 0 HD13 LEU A 445 14.459 7.214 -0.446 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.725 5.601 -2.963 1.00 3.70 H new ATOM 0 HD22 LEU A 445 15.220 6.556 -2.813 1.00 3.70 H new ATOM 0 HD23 LEU A 445 15.306 4.827 -3.226 1.00 3.70 H new ATOM 1310 N PRO A 446 18.458 2.975 0.623 1.00 5.56 N ATOM 1311 CA PRO A 446 19.863 2.578 0.784 1.00 6.59 C ATOM 1312 C PRO A 446 20.802 3.355 -0.131 1.00 7.07 C ATOM 1313 O PRO A 446 20.499 3.580 -1.303 1.00 7.26 O ATOM 1314 CB PRO A 446 19.868 1.088 0.415 1.00 7.40 C ATOM 1315 CG PRO A 446 18.614 0.874 -0.362 1.00 6.97 C ATOM 1316 CD PRO A 446 17.615 1.845 0.193 1.00 5.82 C ATOM 0 HA PRO A 446 20.221 2.780 1.793 1.00 6.59 H new ATOM 0 HB2 PRO A 446 20.747 0.832 -0.177 1.00 7.40 H new ATOM 0 HB3 PRO A 446 19.891 0.461 1.307 1.00 7.40 H new ATOM 0 HG2 PRO A 446 18.779 1.048 -1.425 1.00 6.97 H new ATOM 0 HG3 PRO A 446 18.261 -0.152 -0.258 1.00 6.97 H new ATOM 0 HD2 PRO A 446 16.886 2.148 -0.558 1.00 5.82 H new ATOM 0 HD3 PRO A 446 17.056 1.418 1.026 1.00 5.82 H new ATOM 1324 N ALA A 447 21.947 3.758 0.416 1.00 7.52 N ATOM 1325 CA ALA A 447 22.943 4.508 -0.342 1.00 8.19 C ATOM 1326 C ALA A 447 24.229 4.673 0.466 1.00 8.83 C ATOM 1327 O ALA A 447 24.188 5.049 1.638 1.00 9.06 O ATOM 1328 CB ALA A 447 22.390 5.868 -0.743 1.00 8.42 C ATOM 0 H ALA A 447 22.208 3.576 1.385 1.00 7.52 H new ATOM 0 HA ALA A 447 23.178 3.946 -1.246 1.00 8.19 H new ATOM 0 HB1 ALA A 447 23.145 6.416 -1.308 1.00 8.42 H new ATOM 0 HB2 ALA A 447 21.502 5.732 -1.361 1.00 8.42 H new ATOM 0 HB3 ALA A 447 22.126 6.432 0.152 1.00 8.42 H new ATOM 1334 N PRO A 448 25.394 4.392 -0.149 1.00 9.38 N ATOM 1335 CA PRO A 448 26.690 4.509 0.528 1.00 10.23 C ATOM 1336 C PRO A 448 27.076 5.960 0.809 1.00 10.87 C ATOM 1337 O PRO A 448 26.973 6.821 -0.065 1.00 11.06 O ATOM 1338 CB PRO A 448 27.669 3.877 -0.465 1.00 10.80 C ATOM 1339 CG PRO A 448 27.017 4.032 -1.794 1.00 10.31 C ATOM 1340 CD PRO A 448 25.537 3.934 -1.545 1.00 9.48 C ATOM 0 HA PRO A 448 26.681 4.026 1.505 1.00 10.23 H new ATOM 0 HB2 PRO A 448 28.637 4.377 -0.439 1.00 10.80 H new ATOM 0 HB3 PRO A 448 27.846 2.827 -0.232 1.00 10.80 H new ATOM 0 HG2 PRO A 448 27.274 4.990 -2.245 1.00 10.31 H new ATOM 0 HG3 PRO A 448 27.349 3.256 -2.484 1.00 10.31 H new ATOM 0 HD2 PRO A 448 24.971 4.561 -2.234 1.00 9.48 H new ATOM 0 HD3 PRO A 448 25.175 2.914 -1.672 1.00 9.48 H new ATOM 1348 N PRO A 449 27.529 6.252 2.044 1.00 11.41 N ATOM 1349 CA PRO A 449 27.934 7.605 2.442 1.00 12.23 C ATOM 1350 C PRO A 449 29.113 8.120 1.623 1.00 13.10 C ATOM 1351 O PRO A 449 30.042 7.370 1.322 1.00 13.50 O ATOM 1352 CB PRO A 449 28.338 7.451 3.915 1.00 12.72 C ATOM 1353 CG PRO A 449 27.720 6.170 4.360 1.00 12.39 C ATOM 1354 CD PRO A 449 27.683 5.289 3.146 1.00 11.49 C ATOM 0 HA PRO A 449 27.133 8.327 2.283 1.00 12.23 H new ATOM 0 HB2 PRO A 449 29.422 7.424 4.025 1.00 12.72 H new ATOM 0 HB3 PRO A 449 27.978 8.289 4.511 1.00 12.72 H new ATOM 0 HG2 PRO A 449 28.304 5.711 5.158 1.00 12.39 H new ATOM 0 HG3 PRO A 449 26.717 6.336 4.753 1.00 12.39 H new ATOM 0 HD2 PRO A 449 28.596 4.702 3.045 1.00 11.49 H new ATOM 0 HD3 PRO A 449 26.853 4.583 3.184 1.00 11.49 H new ATOM 1362 N LEU A 450 29.067 9.402 1.267 1.00 13.55 N ATOM 1363 CA LEU A 450 30.133 10.019 0.484 1.00 14.50 C ATOM 1364 C LEU A 450 30.284 9.330 -0.870 1.00 14.96 C ATOM 1365 O LEU A 450 31.334 8.766 -1.178 1.00 15.17 O ATOM 1366 CB LEU A 450 31.458 9.976 1.252 1.00 15.07 C ATOM 1367 CG LEU A 450 31.456 10.716 2.594 1.00 15.25 C ATOM 1368 CD1 LEU A 450 32.805 10.573 3.283 1.00 15.76 C ATOM 1369 CD2 LEU A 450 31.113 12.186 2.396 1.00 15.35 C ATOM 0 H LEU A 450 28.303 10.033 1.509 1.00 13.55 H new ATOM 0 HA LEU A 450 29.864 11.061 0.310 1.00 14.50 H new ATOM 0 HB2 LEU A 450 31.723 8.934 1.430 1.00 15.07 H new ATOM 0 HB3 LEU A 450 32.239 10.401 0.622 1.00 15.07 H new ATOM 0 HG LEU A 450 30.693 10.268 3.231 1.00 15.25 H new ATOM 0 HD11 LEU A 450 32.786 11.105 4.234 1.00 15.76 H new ATOM 0 HD12 LEU A 450 33.013 9.518 3.461 1.00 15.76 H new ATOM 0 HD13 LEU A 450 33.584 10.994 2.648 1.00 15.76 H new ATOM 0 HD21 LEU A 450 31.117 12.694 3.361 1.00 15.35 H new ATOM 0 HD22 LEU A 450 31.852 12.647 1.740 1.00 15.35 H new ATOM 0 HD23 LEU A 450 30.124 12.271 1.945 1.00 15.35 H new ATOM 1381 N ALA A 451 29.225 9.381 -1.673 1.00 15.28 N ATOM 1382 CA ALA A 451 29.235 8.761 -2.993 1.00 15.91 C ATOM 1383 C ALA A 451 28.355 9.537 -3.971 1.00 16.47 C ATOM 1384 O ALA A 451 27.238 9.930 -3.634 1.00 16.74 O ATOM 1385 CB ALA A 451 28.772 7.315 -2.899 1.00 16.18 C ATOM 0 H ALA A 451 28.349 9.845 -1.432 1.00 15.28 H new ATOM 0 HA ALA A 451 30.258 8.781 -3.369 1.00 15.91 H new ATOM 0 HB1 ALA A 451 28.784 6.864 -3.891 1.00 16.18 H new ATOM 0 HB2 ALA A 451 29.441 6.761 -2.240 1.00 16.18 H new ATOM 0 HB3 ALA A 451 27.759 7.283 -2.498 1.00 16.18 H new ATOM 1391 N PRO A 452 28.849 9.769 -5.201 1.00 16.82 N ATOM 1392 CA PRO A 452 28.101 10.504 -6.229 1.00 17.52 C ATOM 1393 C PRO A 452 26.827 9.778 -6.650 1.00 18.21 C ATOM 1394 O PRO A 452 26.840 8.569 -6.882 1.00 18.53 O ATOM 1395 CB PRO A 452 29.081 10.589 -7.404 1.00 17.79 C ATOM 1396 CG PRO A 452 30.049 9.480 -7.179 1.00 17.36 C ATOM 1397 CD PRO A 452 30.172 9.337 -5.689 1.00 16.73 C ATOM 0 HA PRO A 452 27.769 11.477 -5.867 1.00 17.52 H new ATOM 0 HB2 PRO A 452 28.565 10.475 -8.357 1.00 17.79 H new ATOM 0 HB3 PRO A 452 29.586 11.555 -7.428 1.00 17.79 H new ATOM 0 HG2 PRO A 452 29.695 8.554 -7.632 1.00 17.36 H new ATOM 0 HG3 PRO A 452 31.015 9.707 -7.631 1.00 17.36 H new ATOM 0 HD2 PRO A 452 30.393 8.310 -5.400 1.00 16.73 H new ATOM 0 HD3 PRO A 452 30.972 9.960 -5.289 1.00 16.73 H new ATOM 1405 N ASP A 453 25.732 10.531 -6.748 1.00 18.57 N ATOM 1406 CA ASP A 453 24.436 9.977 -7.141 1.00 19.36 C ATOM 1407 C ASP A 453 23.925 8.973 -6.111 1.00 19.52 C ATOM 1408 O ASP A 453 24.675 8.127 -5.624 1.00 19.55 O ATOM 1409 CB ASP A 453 24.534 9.314 -8.518 1.00 19.71 C ATOM 1410 CG ASP A 453 23.206 8.748 -8.983 1.00 20.25 C ATOM 1411 OD1 ASP A 453 22.240 9.530 -9.111 1.00 20.48 O ATOM 1412 OD2 ASP A 453 23.132 7.524 -9.218 1.00 20.55 O ATOM 0 H ASP A 453 25.717 11.533 -6.559 1.00 18.57 H new ATOM 0 HA ASP A 453 23.724 10.801 -7.192 1.00 19.36 H new ATOM 0 HB2 ASP A 453 24.889 10.044 -9.245 1.00 19.71 H new ATOM 0 HB3 ASP A 453 25.274 8.514 -8.481 1.00 19.71 H new ATOM 1417 N GLN A 454 22.640 9.074 -5.783 1.00 19.77 N ATOM 1418 CA GLN A 454 22.024 8.177 -4.810 1.00 20.09 C ATOM 1419 C GLN A 454 22.104 6.727 -5.279 1.00 20.37 C ATOM 1420 O GLN A 454 21.697 6.456 -6.429 1.00 20.63 O ATOM 1421 CB GLN A 454 20.563 8.566 -4.574 1.00 20.30 C ATOM 1422 CG GLN A 454 20.383 9.983 -4.049 1.00 20.53 C ATOM 1423 CD GLN A 454 21.034 10.197 -2.696 1.00 20.93 C ATOM 1424 OE1 GLN A 454 22.249 10.056 -2.546 1.00 21.22 O ATOM 1425 NE2 GLN A 454 20.228 10.542 -1.699 1.00 21.08 N ATOM 1426 OXT GLN A 454 22.574 5.877 -4.494 1.00 20.45 O ATOM 0 H GLN A 454 22.005 9.768 -6.177 1.00 19.77 H new ATOM 0 HA GLN A 454 22.573 8.270 -3.873 1.00 20.09 H new ATOM 0 HB2 GLN A 454 20.013 8.462 -5.509 1.00 20.30 H new ATOM 0 HB3 GLN A 454 20.120 7.867 -3.865 1.00 20.30 H new ATOM 0 HG2 GLN A 454 20.806 10.687 -4.766 1.00 20.53 H new ATOM 0 HG3 GLN A 454 19.318 10.205 -3.974 1.00 20.53 H new ATOM 0 HE21 GLN A 454 19.227 10.648 -1.866 1.00 21.08 H new ATOM 0 HE22 GLN A 454 20.609 10.701 -0.766 1.00 21.08 H new TER 1435 GLN A 454