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 378 ASN : amide:sc= -5.92! C(o=-6.9!,f=-1.3!) USER MOD Set 1.2: A 383 TYR OH : rot -15:sc= -0.994 USER MOD Set 2.1: A 365 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-10!) USER MOD Set 2.2: A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 180:sc= -0.0677 USER MOD Single : A 366 MET CE :methyl -129:sc= -0.0749 (180deg=-4.95!) USER MOD Single : A 370 MET CE :methyl -128:sc= -0.515 (180deg=-0.998) USER MOD Single : A 371 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.3!) USER MOD Single : A 372 LYS NZ :NH3+ -168:sc= -0.0235 (180deg=-0.182) USER MOD Single : A 376 SER OG : rot -156:sc= -1.51! USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.061 (180deg=-0.314) USER MOD Single : A 391 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 393 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.83) USER MOD Single : A 396 GLN : amide:sc=-0.00457 X(o=-0.0046,f=-0.055) USER MOD Single : A 399 GLN : amide:sc= -0.638 K(o=-0.64,f=-0.13) USER MOD Single : A 400 SER OG : rot 170:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -65:sc= -0.57 USER MOD Single : A 405 ASN : amide:sc= -2.94! C(o=-2.9!,f=-7.3!) USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.974 K(o=-0.97,f=-2.2!) USER MOD Single : A 416 TYR OH : rot 52:sc= -1.05 USER MOD Single : A 420 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.21) USER MOD Single : A 430 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : A 433 SER OG : rot -4:sc= 1.06 USER MOD Single : A 435 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.98) USER MOD Single : A 443 THR OG1 : rot 20:sc= 0.683 USER MOD Single : A 454 GLN : amide:sc=-7.99e-05 X(o=-8e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -16.074 -6.390 3.127 1.00 11.64 N ATOM 2 CA GLY A 363 -15.000 -5.394 2.859 1.00 11.03 C ATOM 3 C GLY A 363 -13.646 -6.044 2.650 1.00 10.23 C ATOM 4 O GLY A 363 -12.909 -5.679 1.736 1.00 10.21 O ATOM 0 HA2 GLY A 363 -15.261 -4.812 1.975 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -14.940 -4.696 3.694 1.00 11.03 H new ATOM 10 N SER A 364 -13.323 -7.012 3.504 1.00 9.80 N ATOM 11 CA SER A 364 -12.052 -7.722 3.417 1.00 9.25 C ATOM 12 C SER A 364 -11.987 -8.572 2.145 1.00 8.36 C ATOM 13 O SER A 364 -12.165 -8.059 1.041 1.00 8.24 O ATOM 14 CB SER A 364 -11.851 -8.594 4.660 1.00 9.60 C ATOM 15 OG SER A 364 -12.909 -9.526 4.807 1.00 9.86 O ATOM 0 H SER A 364 -13.926 -7.322 4.266 1.00 9.80 H new ATOM 0 HA SER A 364 -11.248 -6.987 3.370 1.00 9.25 H new ATOM 0 HB2 SER A 364 -10.902 -9.125 4.586 1.00 9.60 H new ATOM 0 HB3 SER A 364 -11.794 -7.962 5.546 1.00 9.60 H new ATOM 0 HG SER A 364 -12.756 -10.071 5.607 1.00 9.86 H new ATOM 21 N HIS A 365 -11.727 -9.869 2.303 1.00 7.98 N ATOM 22 CA HIS A 365 -11.638 -10.772 1.162 1.00 7.35 C ATOM 23 C HIS A 365 -11.799 -12.227 1.620 1.00 6.30 C ATOM 24 O HIS A 365 -12.453 -12.488 2.631 1.00 6.44 O ATOM 25 CB HIS A 365 -10.298 -10.554 0.443 1.00 7.88 C ATOM 26 CG HIS A 365 -9.098 -10.859 1.288 1.00 7.65 C ATOM 27 ND1 HIS A 365 -8.851 -12.102 1.836 1.00 7.18 N ATOM 28 CD2 HIS A 365 -8.070 -10.069 1.680 1.00 8.07 C ATOM 29 CE1 HIS A 365 -7.726 -12.061 2.529 1.00 7.26 C ATOM 30 NE2 HIS A 365 -7.233 -10.841 2.448 1.00 7.79 N ATOM 0 H HIS A 365 -11.575 -10.315 3.208 1.00 7.98 H new ATOM 0 HA HIS A 365 -12.445 -10.558 0.461 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -10.270 -11.179 -0.449 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -10.241 -9.518 0.109 1.00 7.88 H new ATOM 0 HD2 HIS A 365 -7.934 -9.026 1.434 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -7.286 -12.886 3.069 1.00 7.26 H new ATOM 0 HE2 HIS A 365 -6.369 -10.522 2.885 1.00 7.79 H new ATOM 39 N MET A 366 -11.217 -13.172 0.881 1.00 5.51 N ATOM 40 CA MET A 366 -11.313 -14.587 1.232 1.00 4.67 C ATOM 41 C MET A 366 -10.355 -14.941 2.367 1.00 4.56 C ATOM 42 O MET A 366 -9.638 -15.942 2.301 1.00 4.71 O ATOM 43 CB MET A 366 -11.022 -15.457 0.005 1.00 4.15 C ATOM 44 CG MET A 366 -9.639 -15.242 -0.589 1.00 3.72 C ATOM 45 SD MET A 366 -9.320 -16.307 -2.009 1.00 3.31 S ATOM 46 CE MET A 366 -7.665 -15.789 -2.453 1.00 2.76 C ATOM 0 H MET A 366 -10.676 -12.983 0.038 1.00 5.51 H new ATOM 0 HA MET A 366 -12.329 -14.781 1.575 1.00 4.67 H new ATOM 0 HB2 MET A 366 -11.129 -16.506 0.282 1.00 4.15 H new ATOM 0 HB3 MET A 366 -11.771 -15.252 -0.760 1.00 4.15 H new ATOM 0 HG2 MET A 366 -9.535 -14.200 -0.891 1.00 3.72 H new ATOM 0 HG3 MET A 366 -8.886 -15.428 0.177 1.00 3.72 H new ATOM 0 HE1 MET A 366 -7.631 -15.552 -3.516 1.00 2.76 H new ATOM 0 HE2 MET A 366 -7.393 -14.905 -1.875 1.00 2.76 H new ATOM 0 HE3 MET A 366 -6.962 -16.594 -2.238 1.00 2.76 H new ATOM 56 N ASP A 367 -10.345 -14.117 3.410 1.00 4.67 N ATOM 57 CA ASP A 367 -9.473 -14.345 4.556 1.00 4.80 C ATOM 58 C ASP A 367 -9.814 -15.656 5.267 1.00 4.50 C ATOM 59 O ASP A 367 -10.909 -15.815 5.804 1.00 4.10 O ATOM 60 CB ASP A 367 -9.570 -13.174 5.540 1.00 4.92 C ATOM 61 CG ASP A 367 -10.999 -12.865 5.954 1.00 5.55 C ATOM 62 OD1 ASP A 367 -11.922 -13.521 5.428 1.00 6.06 O ATOM 63 OD2 ASP A 367 -11.196 -11.976 6.809 1.00 5.80 O ATOM 0 H ASP A 367 -10.931 -13.286 3.485 1.00 4.67 H new ATOM 0 HA ASP A 367 -8.451 -14.418 4.185 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -8.981 -13.403 6.428 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -9.129 -12.287 5.085 1.00 4.92 H new ATOM 68 N PRO A 368 -8.871 -16.619 5.273 1.00 4.98 N ATOM 69 CA PRO A 368 -9.067 -17.925 5.914 1.00 5.12 C ATOM 70 C PRO A 368 -9.568 -17.818 7.343 1.00 5.15 C ATOM 71 O PRO A 368 -10.148 -18.756 7.892 1.00 5.66 O ATOM 72 CB PRO A 368 -7.676 -18.557 5.872 1.00 5.90 C ATOM 73 CG PRO A 368 -7.022 -17.928 4.694 1.00 6.16 C ATOM 74 CD PRO A 368 -7.544 -16.518 4.637 1.00 5.69 C ATOM 0 HA PRO A 368 -9.831 -18.510 5.403 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -7.121 -18.358 6.789 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -7.734 -19.640 5.763 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -5.937 -17.939 4.797 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -7.260 -18.470 3.779 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -6.893 -15.827 5.172 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -7.617 -16.158 3.611 1.00 5.69 H new ATOM 82 N LEU A 369 -9.338 -16.667 7.923 1.00 4.84 N ATOM 83 CA LEU A 369 -9.749 -16.380 9.289 1.00 5.12 C ATOM 84 C LEU A 369 -9.523 -14.908 9.611 1.00 4.61 C ATOM 85 O LEU A 369 -10.352 -14.266 10.258 1.00 4.91 O ATOM 86 CB LEU A 369 -8.975 -17.261 10.276 1.00 5.80 C ATOM 87 CG LEU A 369 -7.500 -16.898 10.489 1.00 6.34 C ATOM 88 CD1 LEU A 369 -6.898 -17.747 11.598 1.00 6.73 C ATOM 89 CD2 LEU A 369 -6.705 -17.072 9.203 1.00 6.94 C ATOM 0 H LEU A 369 -8.858 -15.893 7.464 1.00 4.84 H new ATOM 0 HA LEU A 369 -10.812 -16.601 9.384 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -9.481 -17.222 11.241 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -9.028 -18.293 9.930 1.00 5.80 H new ATOM 0 HG LEU A 369 -7.450 -15.850 10.783 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -5.851 -17.476 11.736 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -7.443 -17.573 12.526 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -6.968 -18.801 11.328 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -5.663 -16.808 9.381 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -6.766 -18.110 8.875 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -7.117 -16.423 8.430 1.00 6.94 H new ATOM 101 N MET A 370 -8.395 -14.386 9.141 1.00 4.12 N ATOM 102 CA MET A 370 -8.028 -12.997 9.350 1.00 3.87 C ATOM 103 C MET A 370 -6.666 -12.728 8.713 1.00 3.02 C ATOM 104 O MET A 370 -5.842 -11.995 9.258 1.00 3.06 O ATOM 105 CB MET A 370 -7.993 -12.677 10.848 1.00 4.63 C ATOM 106 CG MET A 370 -8.417 -11.257 11.186 1.00 5.03 C ATOM 107 SD MET A 370 -7.217 -10.008 10.683 1.00 5.63 S ATOM 108 CE MET A 370 -5.837 -10.408 11.752 1.00 5.52 C ATOM 0 H MET A 370 -7.711 -14.918 8.604 1.00 4.12 H new ATOM 0 HA MET A 370 -8.773 -12.354 8.881 1.00 3.87 H new ATOM 0 HB2 MET A 370 -8.645 -13.375 11.374 1.00 4.63 H new ATOM 0 HB3 MET A 370 -6.982 -12.842 11.221 1.00 4.63 H new ATOM 0 HG2 MET A 370 -9.372 -11.047 10.704 1.00 5.03 H new ATOM 0 HG3 MET A 370 -8.579 -11.181 12.261 1.00 5.03 H new ATOM 0 HE1 MET A 370 -5.513 -9.510 12.279 1.00 5.52 H new ATOM 0 HE2 MET A 370 -6.144 -11.162 12.476 1.00 5.52 H new ATOM 0 HE3 MET A 370 -5.013 -10.795 11.153 1.00 5.52 H new ATOM 118 N GLN A 371 -6.435 -13.338 7.555 1.00 2.80 N ATOM 119 CA GLN A 371 -5.173 -13.172 6.844 1.00 2.63 C ATOM 120 C GLN A 371 -5.130 -11.834 6.110 1.00 2.21 C ATOM 121 O GLN A 371 -6.136 -11.390 5.555 1.00 2.80 O ATOM 122 CB GLN A 371 -4.949 -14.318 5.853 1.00 3.46 C ATOM 123 CG GLN A 371 -4.988 -15.701 6.489 1.00 3.91 C ATOM 124 CD GLN A 371 -4.107 -16.696 5.759 1.00 4.54 C ATOM 125 OE1 GLN A 371 -4.239 -16.890 4.550 1.00 4.97 O ATOM 126 NE2 GLN A 371 -3.201 -17.333 6.491 1.00 5.04 N ATOM 0 H GLN A 371 -7.104 -13.951 7.090 1.00 2.80 H new ATOM 0 HA GLN A 371 -4.373 -13.189 7.585 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -5.710 -14.266 5.074 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -3.984 -14.180 5.366 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -4.667 -15.630 7.528 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -6.015 -16.066 6.497 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -3.126 -17.141 7.490 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -2.580 -18.014 6.054 1.00 5.04 H new ATOM 135 N LYS A 372 -3.955 -11.205 6.107 1.00 1.82 N ATOM 136 CA LYS A 372 -3.756 -9.924 5.441 1.00 1.77 C ATOM 137 C LYS A 372 -4.616 -8.824 6.067 1.00 1.50 C ATOM 138 O LYS A 372 -5.738 -9.070 6.508 1.00 1.89 O ATOM 139 CB LYS A 372 -4.059 -10.064 3.953 1.00 2.26 C ATOM 140 CG LYS A 372 -3.152 -11.052 3.240 1.00 2.93 C ATOM 141 CD LYS A 372 -3.508 -11.175 1.767 1.00 3.98 C ATOM 142 CE LYS A 372 -2.642 -12.210 1.068 1.00 4.77 C ATOM 143 NZ LYS A 372 -1.194 -11.867 1.147 1.00 5.39 N ATOM 0 H LYS A 372 -3.120 -11.569 6.565 1.00 1.82 H new ATOM 0 HA LYS A 372 -2.714 -9.631 5.568 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -5.095 -10.380 3.829 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -3.964 -9.088 3.478 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -2.115 -10.732 3.339 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -3.231 -12.029 3.717 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -4.558 -11.451 1.667 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -3.385 -10.208 1.280 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -2.809 -13.188 1.520 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -2.940 -12.287 0.022 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -0.657 -12.475 0.496 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -1.058 -10.870 0.882 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -0.854 -12.016 2.119 1.00 5.39 H new ATOM 157 N ILE A 373 -4.068 -7.611 6.112 1.00 1.42 N ATOM 158 CA ILE A 373 -4.764 -6.463 6.692 1.00 1.22 C ATOM 159 C ILE A 373 -6.175 -6.312 6.131 1.00 1.13 C ATOM 160 O ILE A 373 -6.374 -6.291 4.917 1.00 1.20 O ATOM 161 CB ILE A 373 -3.994 -5.152 6.426 1.00 1.16 C ATOM 162 CG1 ILE A 373 -2.604 -5.200 7.064 1.00 1.40 C ATOM 163 CG2 ILE A 373 -4.780 -3.957 6.952 1.00 1.26 C ATOM 164 CD1 ILE A 373 -1.686 -4.093 6.589 1.00 1.48 C ATOM 0 H ILE A 373 -3.138 -7.397 5.751 1.00 1.42 H new ATOM 0 HA ILE A 373 -4.821 -6.650 7.764 1.00 1.22 H new ATOM 0 HB ILE A 373 -3.872 -5.041 5.349 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.707 -5.137 8.147 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.144 -6.163 6.843 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.223 -3.041 6.756 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -5.747 -3.908 6.451 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.933 -4.066 8.026 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -0.718 -4.187 7.081 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -1.553 -4.168 5.510 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.125 -3.126 6.834 1.00 1.48 H new ATOM 176 N ASP A 374 -7.147 -6.182 7.031 1.00 1.16 N ATOM 177 CA ASP A 374 -8.538 -6.005 6.638 1.00 1.17 C ATOM 178 C ASP A 374 -8.903 -4.523 6.659 1.00 1.03 C ATOM 179 O ASP A 374 -8.645 -3.828 7.643 1.00 1.25 O ATOM 180 CB ASP A 374 -9.462 -6.786 7.574 1.00 1.40 C ATOM 181 CG ASP A 374 -9.179 -8.275 7.557 1.00 1.77 C ATOM 182 OD1 ASP A 374 -8.042 -8.668 7.893 1.00 2.17 O ATOM 183 OD2 ASP A 374 -10.095 -9.049 7.208 1.00 2.04 O ATOM 0 H ASP A 374 -6.994 -6.196 8.039 1.00 1.16 H new ATOM 0 HA ASP A 374 -8.665 -6.388 5.625 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.348 -6.409 8.590 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.498 -6.613 7.284 1.00 1.40 H new ATOM 188 N ILE A 375 -9.494 -4.043 5.571 1.00 0.84 N ATOM 189 CA ILE A 375 -9.881 -2.641 5.473 1.00 0.76 C ATOM 190 C ILE A 375 -11.017 -2.300 6.424 1.00 0.76 C ATOM 191 O ILE A 375 -10.986 -1.270 7.094 1.00 0.79 O ATOM 192 CB ILE A 375 -10.331 -2.277 4.055 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.204 -2.506 3.052 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.802 -0.833 4.028 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.672 -2.466 1.615 1.00 0.92 C ATOM 0 H ILE A 375 -9.715 -4.602 4.747 1.00 0.84 H new ATOM 0 HA ILE A 375 -8.993 -2.069 5.740 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.160 -2.923 3.767 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.435 -1.747 3.199 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -8.740 -3.472 3.250 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.122 -0.574 3.019 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.638 -0.710 4.717 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.984 -0.178 4.329 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.824 -2.636 0.951 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.420 -3.243 1.454 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.110 -1.491 1.402 1.00 0.92 H new ATOM 207 N SER A 376 -12.023 -3.166 6.453 1.00 0.79 N ATOM 208 CA SER A 376 -13.192 -2.973 7.304 1.00 0.87 C ATOM 209 C SER A 376 -12.831 -3.160 8.771 1.00 0.96 C ATOM 210 O SER A 376 -13.338 -4.061 9.440 1.00 1.54 O ATOM 211 CB SER A 376 -14.290 -3.952 6.902 1.00 0.95 C ATOM 212 OG SER A 376 -14.743 -3.701 5.584 1.00 1.71 O ATOM 0 H SER A 376 -12.052 -4.017 5.891 1.00 0.79 H new ATOM 0 HA SER A 376 -13.554 -1.953 7.171 1.00 0.87 H new ATOM 0 HB2 SER A 376 -13.914 -4.973 6.972 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.125 -3.872 7.598 1.00 0.95 H new ATOM 0 HG SER A 376 -15.654 -4.048 5.479 1.00 1.71 H new ATOM 218 N GLU A 377 -11.941 -2.307 9.258 1.00 0.93 N ATOM 219 CA GLU A 377 -11.483 -2.365 10.634 1.00 1.03 C ATOM 220 C GLU A 377 -11.169 -0.965 11.137 1.00 0.87 C ATOM 221 O GLU A 377 -11.350 -0.653 12.314 1.00 0.93 O ATOM 222 CB GLU A 377 -10.225 -3.230 10.729 1.00 1.18 C ATOM 223 CG GLU A 377 -10.405 -4.641 10.198 1.00 1.28 C ATOM 224 CD GLU A 377 -11.147 -5.543 11.166 1.00 1.54 C ATOM 225 OE1 GLU A 377 -12.299 -5.215 11.518 1.00 1.92 O ATOM 226 OE2 GLU A 377 -10.577 -6.578 11.571 1.00 1.90 O ATOM 0 H GLU A 377 -11.518 -1.558 8.710 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.271 -2.802 11.247 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -9.420 -2.745 10.177 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -9.910 -3.282 11.771 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.949 -4.603 9.254 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.427 -5.072 9.984 1.00 1.28 H new ATOM 233 N ASN A 378 -10.684 -0.133 10.223 1.00 0.71 N ATOM 234 CA ASN A 378 -10.319 1.241 10.543 1.00 0.61 C ATOM 235 C ASN A 378 -9.955 2.019 9.278 1.00 0.58 C ATOM 236 O ASN A 378 -8.806 2.422 9.100 1.00 0.59 O ATOM 237 CB ASN A 378 -9.152 1.263 11.537 1.00 0.62 C ATOM 238 CG ASN A 378 -8.035 0.301 11.170 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.178 -0.007 11.996 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.026 -0.169 9.927 1.00 2.14 N ATOM 0 H ASN A 378 -10.534 -0.389 9.247 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.181 1.724 11.002 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.749 2.274 11.591 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.525 1.015 12.531 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.290 -0.809 9.629 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -8.755 0.110 9.271 1.00 2.14 H new ATOM 247 N PRO A 379 -10.932 2.239 8.377 1.00 0.62 N ATOM 248 CA PRO A 379 -10.701 2.973 7.130 1.00 0.65 C ATOM 249 C PRO A 379 -10.003 4.307 7.377 1.00 0.61 C ATOM 250 O PRO A 379 -9.134 4.717 6.607 1.00 0.62 O ATOM 251 CB PRO A 379 -12.111 3.195 6.579 1.00 0.77 C ATOM 252 CG PRO A 379 -12.914 2.074 7.144 1.00 0.85 C ATOM 253 CD PRO A 379 -12.336 1.794 8.503 1.00 0.75 C ATOM 0 HA PRO A 379 -10.049 2.430 6.446 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.509 4.162 6.886 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.118 3.178 5.489 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -13.967 2.346 7.216 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -12.856 1.192 6.506 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.863 2.342 9.284 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.401 0.736 8.757 1.00 0.75 H new ATOM 261 N ASP A 380 -10.383 4.973 8.463 1.00 0.62 N ATOM 262 CA ASP A 380 -9.790 6.254 8.826 1.00 0.64 C ATOM 263 C ASP A 380 -8.297 6.097 9.095 1.00 0.55 C ATOM 264 O ASP A 380 -7.501 6.975 8.760 1.00 0.55 O ATOM 265 CB ASP A 380 -10.484 6.836 10.058 1.00 0.75 C ATOM 266 CG ASP A 380 -11.963 7.080 9.825 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.297 7.873 8.921 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.785 6.477 10.546 1.00 1.20 O ATOM 0 H ASP A 380 -11.101 4.645 9.108 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.925 6.940 7.990 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.359 6.154 10.899 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -10.002 7.774 10.334 1.00 0.75 H new ATOM 273 N LYS A 381 -7.928 4.970 9.701 1.00 0.51 N ATOM 274 CA LYS A 381 -6.531 4.687 10.015 1.00 0.47 C ATOM 275 C LYS A 381 -5.651 4.862 8.781 1.00 0.39 C ATOM 276 O LYS A 381 -6.041 4.500 7.672 1.00 0.37 O ATOM 277 CB LYS A 381 -6.380 3.271 10.561 1.00 0.50 C ATOM 278 CG LYS A 381 -4.946 2.926 10.910 1.00 0.52 C ATOM 279 CD LYS A 381 -4.820 1.514 11.440 1.00 0.59 C ATOM 280 CE LYS A 381 -3.385 1.191 11.804 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.863 2.091 12.870 1.00 1.66 N ATOM 0 H LYS A 381 -8.579 4.238 9.984 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.209 5.396 10.777 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.002 3.161 11.449 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.750 2.560 9.822 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.319 3.039 10.025 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.574 3.629 11.656 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.456 1.394 12.317 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.175 0.808 10.689 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.320 0.156 12.140 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.758 1.278 10.917 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.990 1.689 13.267 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.661 3.027 12.465 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.574 2.186 13.623 1.00 1.66 H new ATOM 295 N ILE A 382 -4.466 5.428 8.982 1.00 0.40 N ATOM 296 CA ILE A 382 -3.532 5.660 7.887 1.00 0.35 C ATOM 297 C ILE A 382 -2.660 4.433 7.624 1.00 0.34 C ATOM 298 O ILE A 382 -2.042 3.891 8.540 1.00 0.41 O ATOM 299 CB ILE A 382 -2.626 6.873 8.177 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.472 8.134 8.392 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.631 7.081 7.044 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.323 8.516 7.197 1.00 0.37 C ATOM 0 H ILE A 382 -4.129 5.735 9.895 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.131 5.863 6.999 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.066 6.675 9.091 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.122 7.981 9.254 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.811 8.966 8.635 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.000 7.942 7.267 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.008 6.193 6.939 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.171 7.258 6.114 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -4.891 9.417 7.428 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.680 8.703 6.337 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.011 7.703 6.965 1.00 0.37 H new ATOM 314 N TYR A 383 -2.608 4.010 6.363 1.00 0.30 N ATOM 315 CA TYR A 383 -1.803 2.857 5.968 1.00 0.30 C ATOM 316 C TYR A 383 -0.547 3.313 5.233 1.00 0.28 C ATOM 317 O TYR A 383 -0.575 4.294 4.495 1.00 0.25 O ATOM 318 CB TYR A 383 -2.606 1.909 5.072 1.00 0.32 C ATOM 319 CG TYR A 383 -3.899 1.417 5.687 1.00 0.36 C ATOM 320 CD1 TYR A 383 -5.009 2.247 5.774 1.00 0.40 C ATOM 321 CD2 TYR A 383 -4.008 0.120 6.175 1.00 0.48 C ATOM 322 CE1 TYR A 383 -6.192 1.798 6.330 1.00 0.48 C ATOM 323 CE2 TYR A 383 -5.187 -0.335 6.733 1.00 0.55 C ATOM 324 CZ TYR A 383 -6.277 0.508 6.808 1.00 0.52 C ATOM 325 OH TYR A 383 -7.456 0.058 7.357 1.00 0.63 O ATOM 0 H TYR A 383 -3.115 4.450 5.595 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.517 2.323 6.874 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.833 2.418 4.136 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.985 1.048 4.824 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.947 3.259 5.401 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -3.157 -0.543 6.117 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -7.047 2.456 6.390 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -5.255 -1.345 7.109 1.00 0.55 H new ATOM 0 HH TYR A 383 -8.039 0.821 7.550 1.00 0.63 H new ATOM 335 N PHE A 384 0.551 2.596 5.438 1.00 0.31 N ATOM 336 CA PHE A 384 1.816 2.929 4.786 1.00 0.30 C ATOM 337 C PHE A 384 1.942 2.198 3.450 1.00 0.28 C ATOM 338 O PHE A 384 1.683 0.998 3.366 1.00 0.33 O ATOM 339 CB PHE A 384 2.993 2.565 5.700 1.00 0.40 C ATOM 340 CG PHE A 384 3.103 3.414 6.944 1.00 0.48 C ATOM 341 CD1 PHE A 384 1.962 3.911 7.554 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.338 3.723 7.500 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.048 4.693 8.690 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.429 4.505 8.635 1.00 0.64 C ATOM 345 CZ PHE A 384 3.331 4.965 9.245 1.00 0.74 C ATOM 0 H PHE A 384 0.593 1.781 6.049 1.00 0.31 H new ATOM 0 HA PHE A 384 1.834 4.002 4.595 1.00 0.30 H new ATOM 0 HB2 PHE A 384 2.898 1.520 5.995 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.919 2.653 5.132 1.00 0.40 H new ATOM 0 HD1 PHE A 384 0.992 3.684 7.136 1.00 0.83 H new ATOM 0 HD2 PHE A 384 5.239 3.347 7.039 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.156 5.092 9.150 1.00 0.96 H new ATOM 0 HE2 PHE A 384 5.402 4.749 9.036 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.417 5.540 10.155 1.00 0.74 H new ATOM 355 N ILE A 385 2.344 2.923 2.402 1.00 0.26 N ATOM 356 CA ILE A 385 2.501 2.320 1.079 1.00 0.27 C ATOM 357 C ILE A 385 3.868 2.640 0.488 1.00 0.24 C ATOM 358 O ILE A 385 4.277 3.798 0.439 1.00 0.30 O ATOM 359 CB ILE A 385 1.423 2.796 0.079 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.021 2.690 0.682 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.507 1.980 -1.201 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.304 3.798 1.653 1.00 0.32 C ATOM 0 H ILE A 385 2.564 3.918 2.444 1.00 0.26 H new ATOM 0 HA ILE A 385 2.394 1.246 1.229 1.00 0.27 H new ATOM 0 HB ILE A 385 1.611 3.845 -0.150 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.713 2.697 -0.123 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.075 1.731 1.192 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.744 2.321 -1.901 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.493 2.106 -1.649 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.344 0.927 -0.972 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.313 3.658 2.040 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.407 3.779 2.479 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.241 4.759 1.143 1.00 0.32 H new ATOM 374 N ARG A 386 4.568 1.607 0.036 1.00 0.29 N ATOM 375 CA ARG A 386 5.889 1.782 -0.554 1.00 0.30 C ATOM 376 C ARG A 386 5.800 1.940 -2.068 1.00 0.33 C ATOM 377 O ARG A 386 5.278 1.067 -2.761 1.00 0.42 O ATOM 378 CB ARG A 386 6.779 0.585 -0.213 1.00 0.38 C ATOM 379 CG ARG A 386 8.164 0.656 -0.839 1.00 0.50 C ATOM 380 CD ARG A 386 8.999 -0.565 -0.481 1.00 1.02 C ATOM 381 NE ARG A 386 10.319 -0.535 -1.110 1.00 1.40 N ATOM 382 CZ ARG A 386 10.518 -0.622 -2.424 1.00 1.86 C ATOM 383 NH1 ARG A 386 9.492 -0.780 -3.251 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.751 -0.561 -2.912 1.00 2.39 N ATOM 0 H ARG A 386 4.243 0.640 0.067 1.00 0.29 H new ATOM 0 HA ARG A 386 6.325 2.691 -0.139 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.882 0.517 0.870 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.286 -0.329 -0.544 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.072 0.730 -1.923 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.672 1.558 -0.500 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.115 -0.619 0.601 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.471 -1.467 -0.790 1.00 1.02 H new ATOM 0 HE ARG A 386 11.136 -0.442 -0.506 1.00 1.40 H new ATOM 0 HH11 ARG A 386 8.543 -0.836 -2.881 1.00 2.42 H new ATOM 0 HH12 ARG A 386 9.653 -0.846 -4.256 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.544 -0.448 -2.281 1.00 2.39 H new ATOM 0 HH22 ARG A 386 11.905 -0.627 -3.918 1.00 2.39 H new ATOM 398 N ARG A 387 6.333 3.047 -2.579 1.00 0.41 N ATOM 399 CA ARG A 387 6.328 3.294 -4.014 1.00 0.51 C ATOM 400 C ARG A 387 7.301 2.353 -4.712 1.00 0.49 C ATOM 401 O ARG A 387 8.220 1.826 -4.085 1.00 0.47 O ATOM 402 CB ARG A 387 6.693 4.749 -4.319 1.00 0.63 C ATOM 403 CG ARG A 387 5.643 5.746 -3.862 1.00 0.84 C ATOM 404 CD ARG A 387 6.022 7.168 -4.244 1.00 0.94 C ATOM 405 NE ARG A 387 6.240 7.310 -5.681 1.00 1.32 N ATOM 406 CZ ARG A 387 6.630 8.442 -6.258 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.846 9.525 -5.523 1.00 2.30 N ATOM 408 NH2 ARG A 387 6.808 8.494 -7.572 1.00 2.25 N ATOM 0 H ARG A 387 6.771 3.782 -2.023 1.00 0.41 H new ATOM 0 HA ARG A 387 5.322 3.108 -4.389 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.642 4.986 -3.837 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.845 4.860 -5.393 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.681 5.493 -4.307 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.522 5.679 -2.781 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.233 7.851 -3.928 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.927 7.458 -3.710 1.00 0.94 H new ATOM 0 HE ARG A 387 6.084 6.495 -6.275 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.713 9.490 -4.512 1.00 2.30 H new ATOM 0 HH12 ARG A 387 7.145 10.392 -5.969 1.00 2.30 H new ATOM 0 HH21 ARG A 387 6.645 7.664 -8.142 1.00 2.25 H new ATOM 0 HH22 ARG A 387 7.107 9.364 -8.012 1.00 2.25 H new ATOM 422 N GLU A 388 7.092 2.140 -6.007 1.00 0.64 N ATOM 423 CA GLU A 388 7.953 1.255 -6.784 1.00 0.69 C ATOM 424 C GLU A 388 9.424 1.594 -6.559 1.00 0.61 C ATOM 425 O GLU A 388 10.279 0.709 -6.530 1.00 0.63 O ATOM 426 CB GLU A 388 7.614 1.354 -8.273 1.00 0.88 C ATOM 427 CG GLU A 388 7.740 2.760 -8.837 1.00 1.58 C ATOM 428 CD GLU A 388 7.417 2.827 -10.317 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.279 2.470 -10.692 1.00 2.65 O ATOM 430 OE2 GLU A 388 8.298 3.238 -11.100 1.00 2.82 O ATOM 0 H GLU A 388 6.335 2.567 -6.540 1.00 0.64 H new ATOM 0 HA GLU A 388 7.779 0.233 -6.449 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.272 0.688 -8.831 1.00 0.88 H new ATOM 0 HB3 GLU A 388 6.595 1.000 -8.429 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.071 3.427 -8.293 1.00 1.58 H new ATOM 0 HG3 GLU A 388 8.755 3.123 -8.674 1.00 1.58 H new ATOM 437 N ASP A 389 9.710 2.883 -6.397 1.00 0.65 N ATOM 438 CA ASP A 389 11.076 3.340 -6.171 1.00 0.69 C ATOM 439 C ASP A 389 11.570 2.973 -4.770 1.00 0.64 C ATOM 440 O ASP A 389 12.743 2.645 -4.590 1.00 0.91 O ATOM 441 CB ASP A 389 11.171 4.851 -6.390 1.00 0.81 C ATOM 442 CG ASP A 389 10.087 5.616 -5.657 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.031 5.518 -4.412 1.00 1.23 O ATOM 444 OD2 ASP A 389 9.296 6.313 -6.321 1.00 1.06 O ATOM 0 H ASP A 389 9.014 3.628 -6.418 1.00 0.65 H new ATOM 0 HA ASP A 389 11.719 2.834 -6.891 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.147 5.202 -6.056 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.103 5.065 -7.457 1.00 0.81 H new ATOM 449 N GLY A 390 10.677 3.024 -3.782 1.00 0.55 N ATOM 450 CA GLY A 390 11.066 2.688 -2.420 1.00 0.53 C ATOM 451 C GLY A 390 10.521 3.658 -1.388 1.00 0.55 C ATOM 452 O GLY A 390 10.196 3.263 -0.267 1.00 1.03 O ATOM 0 H GLY A 390 9.699 3.290 -3.898 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.715 1.683 -2.186 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.154 2.669 -2.353 1.00 0.53 H new ATOM 456 N THR A 391 10.440 4.932 -1.760 1.00 0.57 N ATOM 457 CA THR A 391 9.955 5.970 -0.857 1.00 0.54 C ATOM 458 C THR A 391 8.538 5.691 -0.366 1.00 0.41 C ATOM 459 O THR A 391 7.575 5.731 -1.134 1.00 0.44 O ATOM 460 CB THR A 391 9.989 7.359 -1.525 1.00 0.71 C ATOM 461 OG1 THR A 391 9.209 7.347 -2.727 1.00 0.98 O ATOM 462 CG2 THR A 391 11.419 7.766 -1.840 1.00 0.88 C ATOM 0 H THR A 391 10.705 5.271 -2.685 1.00 0.57 H new ATOM 0 HA THR A 391 10.629 5.962 -0.000 1.00 0.54 H new ATOM 0 HB THR A 391 9.565 8.085 -0.831 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.648 6.782 -3.396 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.422 8.749 -2.311 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.998 7.804 -0.917 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.864 7.037 -2.518 1.00 0.88 H new ATOM 470 N VAL A 392 8.433 5.411 0.929 1.00 0.37 N ATOM 471 CA VAL A 392 7.151 5.127 1.563 1.00 0.33 C ATOM 472 C VAL A 392 6.308 6.394 1.698 1.00 0.32 C ATOM 473 O VAL A 392 6.838 7.481 1.931 1.00 0.41 O ATOM 474 CB VAL A 392 7.358 4.509 2.960 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.022 4.250 3.640 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.169 3.226 2.858 1.00 0.52 C ATOM 0 H VAL A 392 9.229 5.375 1.565 1.00 0.37 H new ATOM 0 HA VAL A 392 6.625 4.417 0.925 1.00 0.33 H new ATOM 0 HB VAL A 392 7.914 5.220 3.571 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.193 3.814 4.624 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.481 5.190 3.749 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.433 3.560 3.035 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.306 2.802 3.853 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.640 2.510 2.229 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.143 3.445 2.419 1.00 0.52 H new ATOM 486 N HIS A 393 4.993 6.242 1.556 1.00 0.29 N ATOM 487 CA HIS A 393 4.066 7.366 1.664 1.00 0.31 C ATOM 488 C HIS A 393 2.705 6.904 2.181 1.00 0.27 C ATOM 489 O HIS A 393 2.212 5.841 1.803 1.00 0.26 O ATOM 490 CB HIS A 393 3.904 8.063 0.313 1.00 0.37 C ATOM 491 CG HIS A 393 5.116 8.831 -0.117 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.624 9.894 0.598 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.925 8.681 -1.191 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.693 10.367 -0.018 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.898 9.648 -1.105 1.00 1.82 N ATOM 0 H HIS A 393 4.544 5.346 1.365 1.00 0.29 H new ATOM 0 HA HIS A 393 4.484 8.076 2.378 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.670 7.316 -0.446 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.053 8.743 0.364 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.825 7.940 -1.970 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.296 11.200 0.312 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.656 9.787 -1.773 1.00 1.82 H new ATOM 504 N ARG A 394 2.114 7.709 3.057 1.00 0.29 N ATOM 505 CA ARG A 394 0.815 7.397 3.650 1.00 0.28 C ATOM 506 C ARG A 394 -0.283 7.261 2.595 1.00 0.26 C ATOM 507 O ARG A 394 -0.224 7.877 1.532 1.00 0.32 O ATOM 508 CB ARG A 394 0.433 8.470 4.669 1.00 0.35 C ATOM 509 CG ARG A 394 1.350 8.499 5.881 1.00 0.42 C ATOM 510 CD ARG A 394 0.937 9.577 6.871 1.00 0.52 C ATOM 511 NE ARG A 394 1.094 10.922 6.319 1.00 1.34 N ATOM 512 CZ ARG A 394 2.266 11.452 5.977 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.386 10.759 6.140 1.00 2.41 N ATOM 514 NH2 ARG A 394 2.318 12.677 5.475 1.00 2.96 N ATOM 0 H ARG A 394 2.517 8.590 3.375 1.00 0.29 H new ATOM 0 HA ARG A 394 0.908 6.433 4.150 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.452 9.446 4.184 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.591 8.299 5.000 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.334 7.527 6.373 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.376 8.675 5.557 1.00 0.42 H new ATOM 0 HD2 ARG A 394 -0.103 9.424 7.160 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.536 9.485 7.777 1.00 0.52 H new ATOM 0 HE ARG A 394 0.255 11.488 6.188 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.351 9.817 6.529 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.282 11.169 5.877 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.460 13.214 5.351 1.00 2.96 H new ATOM 0 HH22 ARG A 394 3.216 13.083 5.213 1.00 2.96 H new ATOM 528 N GLY A 395 -1.284 6.440 2.913 1.00 0.23 N ATOM 529 CA GLY A 395 -2.399 6.211 2.007 1.00 0.25 C ATOM 530 C GLY A 395 -3.527 5.447 2.681 1.00 0.23 C ATOM 531 O GLY A 395 -3.283 4.474 3.395 1.00 0.26 O ATOM 0 H GLY A 395 -1.342 5.925 3.791 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.774 7.168 1.644 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.052 5.654 1.137 1.00 0.25 H new ATOM 535 N GLN A 396 -4.762 5.899 2.473 1.00 0.29 N ATOM 536 CA GLN A 396 -5.929 5.263 3.086 1.00 0.34 C ATOM 537 C GLN A 396 -6.545 4.189 2.186 1.00 0.35 C ATOM 538 O GLN A 396 -7.128 4.500 1.147 1.00 0.46 O ATOM 539 CB GLN A 396 -6.980 6.324 3.416 1.00 0.43 C ATOM 540 CG GLN A 396 -6.451 7.438 4.303 1.00 0.50 C ATOM 541 CD GLN A 396 -7.481 8.511 4.577 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.109 9.039 3.660 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.637 8.853 5.845 1.00 0.61 N ATOM 0 H GLN A 396 -4.982 6.703 1.885 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.592 4.771 3.998 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.355 6.755 2.488 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.826 5.846 3.910 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.115 7.014 5.249 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.580 7.890 3.829 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.093 8.386 6.570 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.302 9.584 6.098 1.00 0.61 H new ATOM 552 N VAL A 397 -6.431 2.928 2.602 1.00 0.33 N ATOM 553 CA VAL A 397 -6.999 1.816 1.839 1.00 0.33 C ATOM 554 C VAL A 397 -8.512 1.753 2.037 1.00 0.33 C ATOM 555 O VAL A 397 -8.998 1.847 3.164 1.00 0.37 O ATOM 556 CB VAL A 397 -6.384 0.466 2.257 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.860 -0.648 1.340 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.869 0.549 2.270 1.00 0.83 C ATOM 0 H VAL A 397 -5.953 2.651 3.459 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.767 1.995 0.789 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.718 0.235 3.269 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.414 -1.592 1.653 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.946 -0.724 1.394 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.562 -0.428 0.315 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.454 -0.414 2.568 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.510 0.806 1.273 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.553 1.315 2.978 1.00 0.83 H new ATOM 568 N LEU A 398 -9.254 1.612 0.941 1.00 0.36 N ATOM 569 CA LEU A 398 -10.712 1.559 1.020 1.00 0.40 C ATOM 570 C LEU A 398 -11.289 0.264 0.443 1.00 0.41 C ATOM 571 O LEU A 398 -12.214 -0.314 1.014 1.00 0.47 O ATOM 572 CB LEU A 398 -11.320 2.763 0.297 1.00 0.46 C ATOM 573 CG LEU A 398 -10.934 4.129 0.868 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.543 5.246 0.034 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.375 4.249 2.320 1.00 1.45 C ATOM 0 H LEU A 398 -8.875 1.533 -0.003 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.974 1.586 2.078 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.020 2.727 -0.750 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.406 2.671 0.321 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.849 4.221 0.831 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -11.258 6.211 0.454 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.179 5.175 -0.991 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.629 5.154 0.040 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -11.091 5.228 2.707 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.457 4.134 2.382 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.893 3.471 2.912 1.00 1.45 H new ATOM 587 N GLN A 399 -10.766 -0.174 -0.701 1.00 0.39 N ATOM 588 CA GLN A 399 -11.273 -1.382 -1.356 1.00 0.43 C ATOM 589 C GLN A 399 -10.154 -2.361 -1.708 1.00 0.38 C ATOM 590 O GLN A 399 -8.976 -2.089 -1.485 1.00 0.35 O ATOM 591 CB GLN A 399 -12.044 -1.010 -2.624 1.00 0.49 C ATOM 592 CG GLN A 399 -13.229 -0.089 -2.371 1.00 0.60 C ATOM 593 CD GLN A 399 -14.275 -0.716 -1.469 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.830 -1.769 -1.781 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.550 -0.068 -0.343 1.00 2.04 N ATOM 0 H GLN A 399 -9.998 0.284 -1.191 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.938 -1.876 -0.648 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.363 -0.527 -3.324 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.400 -1.922 -3.103 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.874 0.837 -1.920 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.688 0.176 -3.323 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -14.065 0.802 -0.124 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.246 -0.441 0.303 1.00 2.04 H new ATOM 604 N SER A 400 -10.549 -3.508 -2.260 1.00 0.42 N ATOM 605 CA SER A 400 -9.610 -4.554 -2.657 1.00 0.41 C ATOM 606 C SER A 400 -10.204 -5.388 -3.793 1.00 0.47 C ATOM 607 O SER A 400 -11.422 -5.415 -3.968 1.00 0.54 O ATOM 608 CB SER A 400 -9.274 -5.453 -1.466 1.00 0.47 C ATOM 609 OG SER A 400 -10.429 -6.121 -0.991 1.00 0.56 O ATOM 0 H SER A 400 -11.526 -3.737 -2.444 1.00 0.42 H new ATOM 0 HA SER A 400 -8.691 -4.082 -3.005 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.521 -6.185 -1.759 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.841 -4.854 -0.665 1.00 0.47 H new ATOM 0 HG SER A 400 -10.167 -6.806 -0.341 1.00 0.56 H new ATOM 615 N ARG A 401 -9.351 -6.054 -4.574 1.00 0.51 N ATOM 616 CA ARG A 401 -9.839 -6.860 -5.693 1.00 0.60 C ATOM 617 C ARG A 401 -8.877 -7.995 -6.053 1.00 0.73 C ATOM 618 O ARG A 401 -7.667 -7.801 -6.126 1.00 0.86 O ATOM 619 CB ARG A 401 -10.053 -5.972 -6.925 1.00 0.65 C ATOM 620 CG ARG A 401 -8.769 -5.643 -7.679 1.00 0.72 C ATOM 621 CD ARG A 401 -9.040 -4.773 -8.896 1.00 0.91 C ATOM 622 NE ARG A 401 -7.842 -4.587 -9.711 1.00 1.02 N ATOM 623 CZ ARG A 401 -7.797 -3.823 -10.798 1.00 1.25 C ATOM 624 NH1 ARG A 401 -8.877 -3.163 -11.197 1.00 1.55 N ATOM 625 NH2 ARG A 401 -6.669 -3.717 -11.488 1.00 1.43 N ATOM 0 H ARG A 401 -8.338 -6.052 -4.456 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.783 -7.306 -5.379 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.744 -6.470 -7.604 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.528 -5.042 -6.613 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.076 -5.130 -7.012 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.284 -6.567 -7.993 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -9.823 -5.229 -9.501 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -9.413 -3.801 -8.572 1.00 0.91 H new ATOM 0 HE ARG A 401 -6.990 -5.072 -9.429 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -9.746 -3.241 -10.669 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -8.838 -2.578 -12.032 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -5.836 -4.222 -11.185 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -6.635 -3.131 -12.322 1.00 1.43 H new ATOM 639 N THR A 402 -9.437 -9.173 -6.307 1.00 0.82 N ATOM 640 CA THR A 402 -8.648 -10.337 -6.697 1.00 0.99 C ATOM 641 C THR A 402 -8.639 -10.477 -8.214 1.00 1.16 C ATOM 642 O THR A 402 -9.674 -10.326 -8.864 1.00 1.79 O ATOM 643 CB THR A 402 -9.212 -11.627 -6.080 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.608 -11.747 -6.377 1.00 1.38 O ATOM 645 CG2 THR A 402 -9.002 -11.645 -4.575 1.00 1.29 C ATOM 0 H THR A 402 -10.440 -9.348 -6.249 1.00 0.82 H new ATOM 0 HA THR A 402 -7.633 -10.187 -6.329 1.00 0.99 H new ATOM 0 HB THR A 402 -8.678 -12.472 -6.514 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.957 -12.573 -5.981 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.410 -12.568 -4.162 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.936 -11.589 -4.356 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.510 -10.791 -4.127 1.00 1.29 H new ATOM 653 N THR A 403 -7.470 -10.758 -8.775 1.00 1.43 N ATOM 654 CA THR A 403 -7.336 -10.912 -10.218 1.00 1.62 C ATOM 655 C THR A 403 -8.175 -12.095 -10.715 1.00 1.84 C ATOM 656 O THR A 403 -8.925 -12.698 -9.947 1.00 1.85 O ATOM 657 CB THR A 403 -5.859 -11.111 -10.611 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.027 -10.267 -9.806 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.626 -10.773 -12.077 1.00 1.95 C ATOM 0 H THR A 403 -6.602 -10.884 -8.254 1.00 1.43 H new ATOM 0 HA THR A 403 -7.702 -10.000 -10.689 1.00 1.62 H new ATOM 0 HB THR A 403 -5.609 -12.159 -10.448 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.219 -9.328 -10.010 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.575 -10.924 -12.322 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.241 -11.421 -12.702 1.00 1.95 H new ATOM 0 HG23 THR A 403 -5.895 -9.732 -12.258 1.00 1.95 H new ATOM 667 N GLU A 404 -8.053 -12.415 -12.001 1.00 2.08 N ATOM 668 CA GLU A 404 -8.806 -13.513 -12.602 1.00 2.34 C ATOM 669 C GLU A 404 -8.624 -14.815 -11.825 1.00 2.30 C ATOM 670 O GLU A 404 -9.574 -15.578 -11.649 1.00 2.37 O ATOM 671 CB GLU A 404 -8.374 -13.716 -14.056 1.00 2.72 C ATOM 672 CG GLU A 404 -8.599 -12.495 -14.933 1.00 2.91 C ATOM 673 CD GLU A 404 -10.059 -12.096 -15.013 1.00 3.42 C ATOM 674 OE1 GLU A 404 -10.876 -12.920 -15.474 1.00 3.79 O ATOM 675 OE2 GLU A 404 -10.385 -10.957 -14.616 1.00 3.87 O ATOM 0 H GLU A 404 -7.436 -11.926 -12.650 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.862 -13.244 -12.568 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.317 -13.980 -14.079 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.922 -14.560 -14.475 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.019 -11.659 -14.542 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -8.227 -12.700 -15.937 1.00 2.91 H new ATOM 682 N ASN A 405 -7.400 -15.068 -11.372 1.00 2.26 N ATOM 683 CA ASN A 405 -7.099 -16.283 -10.623 1.00 2.30 C ATOM 684 C ASN A 405 -8.006 -16.411 -9.400 1.00 2.07 C ATOM 685 O ASN A 405 -8.637 -17.448 -9.191 1.00 2.40 O ATOM 686 CB ASN A 405 -5.630 -16.286 -10.196 1.00 2.43 C ATOM 687 CG ASN A 405 -5.211 -17.595 -9.559 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.751 -18.000 -8.532 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.243 -18.267 -10.172 1.00 2.73 N ATOM 0 H ASN A 405 -6.601 -14.449 -11.510 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.283 -17.139 -11.272 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.002 -16.092 -11.066 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.459 -15.472 -9.491 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -3.920 -19.157 -9.792 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -3.823 -17.893 -11.023 1.00 2.73 H new ATOM 696 N ALA A 406 -8.072 -15.348 -8.604 1.00 1.82 N ATOM 697 CA ALA A 406 -8.908 -15.326 -7.405 1.00 1.67 C ATOM 698 C ALA A 406 -8.617 -16.511 -6.486 1.00 1.85 C ATOM 699 O ALA A 406 -9.515 -17.275 -6.130 1.00 2.18 O ATOM 700 CB ALA A 406 -10.379 -15.292 -7.785 1.00 1.72 C ATOM 0 H ALA A 406 -7.554 -14.485 -8.768 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.665 -14.419 -6.852 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.988 -15.276 -6.881 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.582 -14.398 -8.375 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.624 -16.177 -8.372 1.00 1.72 H new ATOM 706 N ALA A 407 -7.356 -16.643 -6.099 1.00 1.91 N ATOM 707 CA ALA A 407 -6.919 -17.717 -5.211 1.00 2.19 C ATOM 708 C ALA A 407 -5.588 -17.341 -4.578 1.00 2.37 C ATOM 709 O ALA A 407 -4.921 -18.162 -3.948 1.00 2.77 O ATOM 710 CB ALA A 407 -6.799 -19.028 -5.970 1.00 2.38 C ATOM 0 H ALA A 407 -6.608 -16.013 -6.389 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.663 -17.853 -4.426 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.472 -19.814 -5.289 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.768 -19.294 -6.393 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.071 -18.918 -6.773 1.00 2.38 H new ATOM 716 N ALA A 408 -5.224 -16.078 -4.765 1.00 2.15 N ATOM 717 CA ALA A 408 -3.984 -15.522 -4.242 1.00 2.35 C ATOM 718 C ALA A 408 -3.877 -14.038 -4.601 1.00 2.05 C ATOM 719 O ALA A 408 -3.579 -13.211 -3.741 1.00 1.99 O ATOM 720 CB ALA A 408 -2.779 -16.290 -4.771 1.00 2.76 C ATOM 0 H ALA A 408 -5.786 -15.407 -5.288 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.995 -15.619 -3.156 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.865 -15.856 -4.366 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.851 -17.334 -4.467 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.758 -16.230 -5.859 1.00 2.76 H new ATOM 726 N PRO A 409 -4.122 -13.674 -5.882 1.00 1.99 N ATOM 727 CA PRO A 409 -4.056 -12.279 -6.338 1.00 1.80 C ATOM 728 C PRO A 409 -5.052 -11.381 -5.624 1.00 1.41 C ATOM 729 O PRO A 409 -6.200 -11.762 -5.407 1.00 1.86 O ATOM 730 CB PRO A 409 -4.389 -12.361 -7.832 1.00 2.10 C ATOM 731 CG PRO A 409 -4.147 -13.781 -8.206 1.00 2.49 C ATOM 732 CD PRO A 409 -4.484 -14.583 -6.987 1.00 2.27 C ATOM 0 HA PRO A 409 -3.080 -11.841 -6.131 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.423 -12.074 -8.022 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.760 -11.687 -8.414 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.768 -14.075 -9.052 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.110 -13.937 -8.503 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.540 -14.851 -6.960 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.918 -15.513 -6.946 1.00 2.27 H new ATOM 740 N ASP A 410 -4.600 -10.182 -5.264 1.00 0.92 N ATOM 741 CA ASP A 410 -5.449 -9.219 -4.574 1.00 0.79 C ATOM 742 C ASP A 410 -4.742 -7.872 -4.422 1.00 0.68 C ATOM 743 O ASP A 410 -3.654 -7.789 -3.852 1.00 0.93 O ATOM 744 CB ASP A 410 -5.855 -9.761 -3.201 1.00 1.18 C ATOM 745 CG ASP A 410 -4.658 -10.063 -2.320 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.786 -10.846 -2.750 1.00 1.99 O ATOM 747 OD2 ASP A 410 -4.595 -9.520 -1.198 1.00 2.14 O ATOM 0 H ASP A 410 -3.650 -9.856 -5.440 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.345 -9.065 -5.175 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.496 -9.034 -2.702 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.444 -10.669 -3.332 1.00 1.18 H new ATOM 752 N GLU A 411 -5.379 -6.824 -4.934 1.00 0.54 N ATOM 753 CA GLU A 411 -4.837 -5.473 -4.861 1.00 0.45 C ATOM 754 C GLU A 411 -5.697 -4.608 -3.951 1.00 0.40 C ATOM 755 O GLU A 411 -6.918 -4.741 -3.934 1.00 0.42 O ATOM 756 CB GLU A 411 -4.753 -4.845 -6.255 1.00 0.49 C ATOM 757 CG GLU A 411 -3.786 -5.558 -7.187 1.00 0.58 C ATOM 758 CD GLU A 411 -4.337 -6.858 -7.740 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.520 -7.160 -7.475 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.586 -7.581 -8.429 1.00 2.08 O ATOM 0 H GLU A 411 -6.280 -6.887 -5.408 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.830 -5.532 -4.447 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.746 -4.846 -6.705 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.448 -3.803 -6.157 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.535 -4.896 -8.016 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -2.859 -5.763 -6.651 1.00 0.58 H new ATOM 767 N TYR A 412 -5.058 -3.732 -3.184 1.00 0.38 N ATOM 768 CA TYR A 412 -5.784 -2.868 -2.264 1.00 0.35 C ATOM 769 C TYR A 412 -5.784 -1.416 -2.731 1.00 0.33 C ATOM 770 O TYR A 412 -4.729 -0.812 -2.925 1.00 0.34 O ATOM 771 CB TYR A 412 -5.175 -2.947 -0.860 1.00 0.39 C ATOM 772 CG TYR A 412 -5.318 -4.297 -0.187 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.017 -5.476 -0.859 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.752 -4.387 1.130 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.145 -6.703 -0.239 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.882 -5.612 1.757 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.577 -6.766 1.068 1.00 0.62 C ATOM 778 OH TYR A 412 -5.705 -7.988 1.689 1.00 0.72 O ATOM 0 H TYR A 412 -4.046 -3.602 -3.181 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.815 -3.221 -2.239 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.116 -2.697 -0.923 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.644 -2.190 -0.231 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.677 -5.432 -1.883 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -5.992 -3.485 1.673 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.908 -7.609 -0.776 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.221 -5.665 2.781 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.019 -7.857 2.608 1.00 0.72 H new ATOM 788 N TYR A 413 -6.981 -0.856 -2.874 1.00 0.33 N ATOM 789 CA TYR A 413 -7.141 0.533 -3.279 1.00 0.32 C ATOM 790 C TYR A 413 -6.509 1.441 -2.233 1.00 0.32 C ATOM 791 O TYR A 413 -6.459 1.087 -1.056 1.00 0.40 O ATOM 792 CB TYR A 413 -8.625 0.872 -3.437 1.00 0.36 C ATOM 793 CG TYR A 413 -8.891 2.294 -3.887 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.165 2.855 -4.930 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.862 3.075 -3.270 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.399 4.151 -5.347 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.103 4.372 -3.682 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.389 4.905 -4.708 1.00 0.46 C ATOM 799 OH TYR A 413 -9.604 6.196 -5.134 1.00 0.51 O ATOM 0 H TYR A 413 -7.860 -1.349 -2.714 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.646 0.685 -4.238 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.069 0.185 -4.158 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.128 0.704 -2.485 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.405 2.268 -5.423 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.437 2.661 -2.455 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.825 4.577 -6.156 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.860 4.963 -3.188 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.321 6.601 -4.602 1.00 0.51 H new ATOM 809 N VAL A 414 -6.015 2.597 -2.651 1.00 0.33 N ATOM 810 CA VAL A 414 -5.383 3.513 -1.714 1.00 0.33 C ATOM 811 C VAL A 414 -5.521 4.968 -2.149 1.00 0.29 C ATOM 812 O VAL A 414 -5.259 5.319 -3.300 1.00 0.38 O ATOM 813 CB VAL A 414 -3.892 3.174 -1.533 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.161 3.241 -2.865 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.247 4.101 -0.516 1.00 1.15 C ATOM 0 H VAL A 414 -6.038 2.920 -3.618 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.902 3.391 -0.763 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.818 2.154 -1.155 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.109 2.998 -2.715 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.603 2.526 -3.559 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.246 4.247 -3.277 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.194 3.843 -0.405 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.333 5.132 -0.858 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.750 3.994 0.445 1.00 1.15 H new ATOM 825 N HIS A 415 -5.926 5.807 -1.202 1.00 0.33 N ATOM 826 CA HIS A 415 -6.093 7.233 -1.447 1.00 0.32 C ATOM 827 C HIS A 415 -5.022 8.010 -0.692 1.00 0.32 C ATOM 828 O HIS A 415 -5.209 8.367 0.472 1.00 0.34 O ATOM 829 CB HIS A 415 -7.486 7.686 -1.001 1.00 0.37 C ATOM 830 CG HIS A 415 -7.775 9.128 -1.285 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.878 9.639 -2.562 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.984 10.172 -0.448 1.00 0.54 C ATOM 833 CE1 HIS A 415 -8.138 10.932 -2.498 1.00 0.60 C ATOM 834 NE2 HIS A 415 -8.208 11.281 -1.227 1.00 0.62 N ATOM 0 H HIS A 415 -6.146 5.519 -0.249 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.990 7.427 -2.515 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.235 7.070 -1.500 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.590 7.509 0.070 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.976 10.139 0.631 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -8.271 11.592 -3.342 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -8.398 12.221 -0.880 1.00 0.62 H new ATOM 843 N TYR A 416 -3.892 8.251 -1.351 1.00 0.37 N ATOM 844 CA TYR A 416 -2.784 8.968 -0.726 1.00 0.40 C ATOM 845 C TYR A 416 -3.246 10.298 -0.142 1.00 0.45 C ATOM 846 O TYR A 416 -4.001 11.040 -0.770 1.00 0.57 O ATOM 847 CB TYR A 416 -1.647 9.197 -1.725 1.00 0.46 C ATOM 848 CG TYR A 416 -0.994 7.919 -2.213 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.689 7.030 -3.024 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.312 7.604 -1.866 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.100 5.861 -3.471 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.907 6.439 -2.308 1.00 0.54 C ATOM 853 CZ TYR A 416 0.212 5.577 -3.106 1.00 0.57 C ATOM 854 OH TYR A 416 0.786 4.408 -3.553 1.00 0.65 O ATOM 0 H TYR A 416 -3.719 7.962 -2.314 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.411 8.347 0.089 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -2.035 9.746 -2.583 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.889 9.827 -1.260 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.706 7.256 -3.310 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.873 8.282 -1.239 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.653 5.176 -4.097 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.923 6.210 -2.022 1.00 0.54 H new ATOM 0 HH TYR A 416 0.680 4.342 -4.525 1.00 0.65 H new ATOM 864 N VAL A 417 -2.786 10.579 1.072 1.00 0.45 N ATOM 865 CA VAL A 417 -3.137 11.807 1.778 1.00 0.55 C ATOM 866 C VAL A 417 -2.616 13.049 1.037 1.00 0.66 C ATOM 867 O VAL A 417 -2.946 13.260 -0.130 1.00 1.34 O ATOM 868 CB VAL A 417 -2.619 11.751 3.237 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.168 12.908 4.063 1.00 1.10 C ATOM 870 CG2 VAL A 417 -2.999 10.422 3.873 1.00 1.01 C ATOM 0 H VAL A 417 -2.161 9.964 1.594 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.223 11.890 1.807 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.533 11.841 3.216 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.786 12.841 5.082 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.854 13.853 3.619 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.257 12.859 4.079 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -2.631 10.391 4.899 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.084 10.316 3.873 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -2.555 9.606 3.303 1.00 1.01 H new ATOM 880 N GLY A 418 -1.831 13.873 1.723 1.00 0.71 N ATOM 881 CA GLY A 418 -1.292 15.094 1.140 1.00 0.82 C ATOM 882 C GLY A 418 -0.845 14.951 -0.306 1.00 0.72 C ATOM 883 O GLY A 418 -0.885 15.921 -1.063 1.00 0.76 O ATOM 0 H GLY A 418 -1.553 13.714 2.691 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.049 15.876 1.199 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.444 15.426 1.739 1.00 0.82 H new ATOM 887 N LEU A 419 -0.416 13.754 -0.695 1.00 0.66 N ATOM 888 CA LEU A 419 0.038 13.522 -2.063 1.00 0.60 C ATOM 889 C LEU A 419 -1.067 13.840 -3.066 1.00 0.59 C ATOM 890 O LEU A 419 -2.242 13.565 -2.818 1.00 0.76 O ATOM 891 CB LEU A 419 0.514 12.077 -2.248 1.00 0.58 C ATOM 892 CG LEU A 419 1.827 11.723 -1.542 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.642 11.683 -0.033 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.364 10.394 -2.051 1.00 1.40 C ATOM 0 H LEU A 419 -0.373 12.935 -0.088 1.00 0.66 H new ATOM 0 HA LEU A 419 0.879 14.190 -2.248 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.266 11.406 -1.887 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.631 11.884 -3.314 1.00 0.58 H new ATOM 0 HG LEU A 419 2.555 12.501 -1.771 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.589 11.429 0.443 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.309 12.659 0.319 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.895 10.931 0.222 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.297 10.158 -1.539 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.634 9.608 -1.856 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.546 10.462 -3.124 1.00 1.40 H new ATOM 906 N ASN A 420 -0.679 14.435 -4.191 1.00 0.61 N ATOM 907 CA ASN A 420 -1.629 14.812 -5.232 1.00 0.63 C ATOM 908 C ASN A 420 -2.456 13.613 -5.688 1.00 0.56 C ATOM 909 O ASN A 420 -2.036 12.463 -5.555 1.00 0.56 O ATOM 910 CB ASN A 420 -0.900 15.435 -6.424 1.00 0.75 C ATOM 911 CG ASN A 420 -1.853 16.112 -7.393 1.00 1.57 C ATOM 912 OD1 ASN A 420 -2.618 16.996 -7.009 1.00 2.53 O ATOM 913 ND2 ASN A 420 -1.806 15.709 -8.658 1.00 1.98 N ATOM 0 H ASN A 420 0.291 14.667 -4.405 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.309 15.551 -4.809 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.174 16.164 -6.063 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.340 14.661 -6.949 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -2.419 16.136 -9.352 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -1.157 14.973 -8.935 1.00 1.98 H new ATOM 920 N ARG A 421 -3.643 13.898 -6.208 1.00 0.62 N ATOM 921 CA ARG A 421 -4.562 12.864 -6.675 1.00 0.67 C ATOM 922 C ARG A 421 -3.900 11.912 -7.675 1.00 0.66 C ATOM 923 O ARG A 421 -4.282 10.745 -7.770 1.00 0.69 O ATOM 924 CB ARG A 421 -5.790 13.516 -7.313 1.00 0.87 C ATOM 925 CG ARG A 421 -6.509 14.484 -6.385 1.00 1.09 C ATOM 926 CD ARG A 421 -7.701 15.134 -7.069 1.00 1.51 C ATOM 927 NE ARG A 421 -8.385 16.089 -6.197 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.002 15.752 -5.066 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.030 14.486 -4.670 1.00 3.28 N ATOM 930 NH2 ARG A 421 -9.594 16.684 -4.330 1.00 3.98 N ATOM 0 H ARG A 421 -3.996 14.848 -6.318 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.861 12.273 -5.809 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.484 14.047 -8.214 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.486 12.737 -7.624 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.845 13.953 -5.494 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.814 15.255 -6.053 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.366 15.644 -7.972 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.404 14.362 -7.382 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.390 17.071 -6.472 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.578 13.766 -5.233 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.504 14.233 -3.803 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -9.576 17.659 -4.631 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -10.067 16.426 -3.464 1.00 3.98 H new ATOM 944 N ARG A 422 -2.926 12.415 -8.431 1.00 0.71 N ATOM 945 CA ARG A 422 -2.237 11.600 -9.433 1.00 0.83 C ATOM 946 C ARG A 422 -1.700 10.303 -8.841 1.00 0.72 C ATOM 947 O ARG A 422 -1.775 9.248 -9.472 1.00 0.77 O ATOM 948 CB ARG A 422 -1.087 12.382 -10.071 1.00 1.01 C ATOM 949 CG ARG A 422 0.031 12.731 -9.106 1.00 1.19 C ATOM 950 CD ARG A 422 1.133 13.523 -9.791 1.00 1.49 C ATOM 951 NE ARG A 422 1.762 12.763 -10.868 1.00 2.09 N ATOM 952 CZ ARG A 422 2.758 13.228 -11.618 1.00 2.79 C ATOM 953 NH1 ARG A 422 3.236 14.448 -11.412 1.00 3.07 N ATOM 954 NH2 ARG A 422 3.277 12.470 -12.574 1.00 3.71 N ATOM 0 H ARG A 422 -2.596 13.378 -8.370 1.00 0.71 H new ATOM 0 HA ARG A 422 -2.974 11.348 -10.196 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -0.675 11.796 -10.893 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -1.482 13.302 -10.502 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -0.372 13.310 -8.275 1.00 1.19 H new ATOM 0 HG3 ARG A 422 0.448 11.816 -8.684 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.719 14.448 -10.193 1.00 1.49 H new ATOM 0 HD3 ARG A 422 1.888 13.804 -9.057 1.00 1.49 H new ATOM 0 HE ARG A 422 1.418 11.821 -11.056 1.00 2.09 H new ATOM 0 HH11 ARG A 422 2.840 15.033 -10.677 1.00 3.07 H new ATOM 0 HH12 ARG A 422 4.000 14.801 -11.989 1.00 3.07 H new ATOM 0 HH21 ARG A 422 2.913 11.531 -12.734 1.00 3.71 H new ATOM 0 HH22 ARG A 422 4.040 12.826 -13.149 1.00 3.71 H new ATOM 968 N LEU A 423 -1.153 10.383 -7.635 1.00 0.65 N ATOM 969 CA LEU A 423 -0.600 9.208 -6.979 1.00 0.62 C ATOM 970 C LEU A 423 -1.707 8.256 -6.537 1.00 0.52 C ATOM 971 O LEU A 423 -1.534 7.036 -6.559 1.00 0.53 O ATOM 972 CB LEU A 423 0.257 9.599 -5.770 1.00 0.69 C ATOM 973 CG LEU A 423 1.409 10.581 -6.039 1.00 0.89 C ATOM 974 CD1 LEU A 423 2.073 10.311 -7.383 1.00 1.31 C ATOM 975 CD2 LEU A 423 0.931 12.021 -5.945 1.00 1.49 C ATOM 0 H LEU A 423 -1.081 11.245 -7.094 1.00 0.65 H new ATOM 0 HA LEU A 423 0.033 8.700 -7.706 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.396 10.037 -5.015 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.676 8.690 -5.340 1.00 0.69 H new ATOM 0 HG LEU A 423 2.161 10.424 -5.266 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.882 11.024 -7.539 1.00 1.31 H new ATOM 0 HD12 LEU A 423 2.475 9.298 -7.393 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.337 10.417 -8.180 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.765 12.695 -6.139 1.00 1.49 H new ATOM 0 HD22 LEU A 423 0.147 12.193 -6.682 1.00 1.49 H new ATOM 0 HD23 LEU A 423 0.538 12.209 -4.946 1.00 1.49 H new ATOM 987 N ASP A 424 -2.837 8.820 -6.125 1.00 0.49 N ATOM 988 CA ASP A 424 -3.969 8.025 -5.662 1.00 0.50 C ATOM 989 C ASP A 424 -4.430 7.036 -6.730 1.00 0.45 C ATOM 990 O ASP A 424 -4.643 7.404 -7.885 1.00 0.49 O ATOM 991 CB ASP A 424 -5.127 8.940 -5.265 1.00 0.66 C ATOM 992 CG ASP A 424 -4.729 9.941 -4.198 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.837 10.772 -4.467 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.304 9.891 -3.092 1.00 1.20 O ATOM 0 H ASP A 424 -2.994 9.828 -6.102 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.643 7.455 -4.792 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.484 9.474 -6.146 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.957 8.335 -4.901 1.00 0.66 H new ATOM 999 N GLY A 425 -4.587 5.779 -6.325 1.00 0.44 N ATOM 1000 CA GLY A 425 -5.027 4.743 -7.241 1.00 0.50 C ATOM 1001 C GLY A 425 -4.919 3.360 -6.629 1.00 0.45 C ATOM 1002 O GLY A 425 -5.110 3.191 -5.426 1.00 0.70 O ATOM 0 H GLY A 425 -4.416 5.459 -5.372 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -6.061 4.931 -7.532 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.428 4.785 -8.150 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.601 2.368 -7.456 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.458 0.998 -6.981 1.00 0.44 C ATOM 1008 C TRP A 426 -2.988 0.637 -6.792 1.00 0.45 C ATOM 1009 O TRP A 426 -2.137 1.015 -7.598 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.118 0.010 -7.946 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.609 0.146 -8.010 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.320 1.137 -8.624 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.573 -0.732 -7.419 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.668 0.918 -8.465 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.848 -0.222 -7.726 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.481 -1.906 -6.664 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.021 -0.845 -7.303 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -8.646 -2.520 -6.244 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -9.900 -1.990 -6.565 1.00 0.59 C ATOM 0 H TRP A 426 -4.438 2.488 -8.456 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.961 0.931 -6.016 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.704 0.157 -8.944 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -4.866 -1.006 -7.643 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.887 1.971 -9.157 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.413 1.508 -8.836 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.518 -2.325 -6.414 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.991 -0.438 -7.549 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -8.587 -3.425 -5.658 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -10.791 -2.495 -6.223 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.698 -0.095 -5.721 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.331 -0.508 -5.421 1.00 0.46 C ATOM 1032 C VAL A 427 -1.296 -1.939 -4.897 1.00 0.51 C ATOM 1033 O VAL A 427 -2.214 -2.384 -4.207 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.668 0.419 -4.384 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.643 1.854 -4.877 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.384 0.328 -3.049 1.00 0.85 C ATOM 0 H VAL A 427 -3.392 -0.415 -5.045 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.774 -0.446 -6.356 1.00 0.46 H new ATOM 0 HB VAL A 427 0.362 0.089 -4.247 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.170 2.488 -4.127 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.078 1.909 -5.807 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.663 2.197 -5.051 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.900 0.990 -2.331 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.425 0.626 -3.173 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.342 -0.698 -2.683 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.233 -2.656 -5.239 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.089 -4.034 -4.810 1.00 0.65 C ATOM 1048 C GLY A 428 -0.073 -4.196 -3.301 1.00 0.79 C ATOM 1049 O GLY A 428 0.410 -3.325 -2.577 1.00 1.72 O ATOM 0 H GLY A 428 0.536 -2.305 -5.809 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -0.908 -4.623 -5.223 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.835 -4.440 -5.222 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.602 -5.325 -2.839 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.659 -5.644 -1.413 1.00 0.54 C ATOM 1055 C ARG A 429 0.706 -5.480 -0.741 1.00 0.49 C ATOM 1056 O ARG A 429 0.792 -5.016 0.397 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.167 -7.082 -1.240 1.00 0.68 C ATOM 1058 CG ARG A 429 -0.799 -7.727 0.086 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.502 -7.066 1.257 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.141 -7.697 2.520 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.726 -7.418 3.677 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -2.724 -6.546 3.724 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.318 -8.020 4.785 1.00 1.65 N ATOM 0 H ARG A 429 -1.003 -6.045 -3.440 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.343 -4.946 -0.930 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.252 -7.085 -1.342 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.769 -7.694 -2.050 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.059 -8.785 0.058 1.00 0.83 H new ATOM 0 HG3 ARG A 429 0.280 -7.667 0.231 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.241 -6.008 1.290 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.581 -7.124 1.115 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.396 -8.393 2.514 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -3.043 -6.089 2.870 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -3.173 -6.332 4.615 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.555 -8.696 4.747 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -1.767 -7.807 5.676 1.00 1.65 H new ATOM 1077 N HIS A 430 1.764 -5.873 -1.443 1.00 0.49 N ATOM 1078 CA HIS A 430 3.121 -5.779 -0.906 1.00 0.53 C ATOM 1079 C HIS A 430 3.486 -4.350 -0.516 1.00 0.47 C ATOM 1080 O HIS A 430 4.313 -4.132 0.369 1.00 0.49 O ATOM 1081 CB HIS A 430 4.139 -6.305 -1.919 1.00 0.65 C ATOM 1082 CG HIS A 430 4.091 -5.616 -3.249 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.999 -5.671 -4.091 1.00 1.20 N ATOM 1084 CD2 HIS A 430 5.015 -4.858 -3.885 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.256 -4.978 -5.186 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.470 -4.474 -5.084 1.00 1.46 N ATOM 0 H HIS A 430 1.710 -6.260 -2.385 1.00 0.49 H new ATOM 0 HA HIS A 430 3.148 -6.394 -0.006 1.00 0.53 H new ATOM 0 HB2 HIS A 430 5.140 -6.197 -1.502 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.970 -7.371 -2.068 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.998 -4.603 -3.517 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.586 -4.847 -6.022 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.930 -3.892 -5.784 1.00 1.46 H new ATOM 1095 N ARG A 431 2.889 -3.381 -1.197 1.00 0.43 N ATOM 1096 CA ARG A 431 3.179 -1.977 -0.936 1.00 0.41 C ATOM 1097 C ARG A 431 2.461 -1.467 0.312 1.00 0.37 C ATOM 1098 O ARG A 431 3.026 -0.684 1.077 1.00 0.57 O ATOM 1099 CB ARG A 431 2.796 -1.132 -2.150 1.00 0.44 C ATOM 1100 CG ARG A 431 3.481 -1.569 -3.434 1.00 0.53 C ATOM 1101 CD ARG A 431 3.044 -0.718 -4.614 1.00 0.64 C ATOM 1102 NE ARG A 431 3.680 -1.137 -5.861 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.428 -0.580 -7.042 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.543 0.403 -7.143 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.058 -1.012 -8.128 1.00 2.84 N ATOM 0 H ARG A 431 2.202 -3.541 -1.934 1.00 0.43 H new ATOM 0 HA ARG A 431 4.250 -1.888 -0.754 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.716 -1.180 -2.290 1.00 0.44 H new ATOM 0 HB3 ARG A 431 3.046 -0.090 -1.951 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.562 -1.498 -3.313 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.250 -2.615 -3.633 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.961 -0.778 -4.722 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.287 0.326 -4.417 1.00 0.64 H new ATOM 0 HE ARG A 431 4.356 -1.900 -5.824 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.052 0.735 -6.313 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.353 0.827 -8.051 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.735 -1.771 -8.057 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.865 -0.585 -9.034 1.00 2.84 H new ATOM 1119 N ILE A 432 1.222 -1.903 0.522 1.00 0.39 N ATOM 1120 CA ILE A 432 0.459 -1.467 1.688 1.00 0.36 C ATOM 1121 C ILE A 432 0.726 -2.375 2.883 1.00 0.38 C ATOM 1122 O ILE A 432 0.716 -3.599 2.761 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.055 -1.428 1.402 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.332 -0.541 0.186 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.810 -0.919 2.622 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.790 -0.483 -0.212 1.00 0.46 C ATOM 0 H ILE A 432 0.729 -2.551 -0.092 1.00 0.39 H new ATOM 0 HA ILE A 432 0.790 -0.455 1.921 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.402 -2.438 1.183 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.983 0.470 0.399 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.749 -0.908 -0.659 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.878 -0.897 2.406 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.625 -1.582 3.467 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.469 0.087 2.868 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.904 0.165 -1.081 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.140 -1.485 -0.458 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.378 -0.087 0.616 1.00 0.46 H new ATOM 1138 N SER A 433 0.976 -1.756 4.035 1.00 0.34 N ATOM 1139 CA SER A 433 1.267 -2.491 5.263 1.00 0.38 C ATOM 1140 C SER A 433 1.151 -1.579 6.481 1.00 0.36 C ATOM 1141 O SER A 433 1.466 -0.391 6.411 1.00 0.34 O ATOM 1142 CB SER A 433 2.674 -3.086 5.194 1.00 0.41 C ATOM 1143 OG SER A 433 2.751 -4.122 4.231 1.00 0.53 O ATOM 0 H SER A 433 0.983 -0.742 4.143 1.00 0.34 H new ATOM 0 HA SER A 433 0.538 -3.295 5.362 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.390 -2.303 4.946 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.954 -3.475 6.173 1.00 0.41 H new ATOM 0 HG SER A 433 1.862 -4.281 3.850 1.00 0.53 H new ATOM 1149 N ASP A 434 0.695 -2.143 7.595 1.00 0.43 N ATOM 1150 CA ASP A 434 0.531 -1.383 8.833 1.00 0.48 C ATOM 1151 C ASP A 434 1.879 -1.022 9.465 1.00 0.48 C ATOM 1152 O ASP A 434 1.939 -0.651 10.637 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.321 -2.172 9.830 1.00 0.60 C ATOM 1154 CG ASP A 434 0.272 -3.528 10.167 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.329 -3.870 9.598 1.00 1.12 O ATOM 1156 OD2 ASP A 434 -0.319 -4.246 11.000 1.00 1.35 O ATOM 0 H ASP A 434 0.432 -3.126 7.667 1.00 0.43 H new ATOM 0 HA ASP A 434 0.024 -0.452 8.580 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.432 -1.591 10.746 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.320 -2.310 9.417 1.00 0.60 H new ATOM 1161 N ASN A 435 2.954 -1.123 8.686 1.00 0.43 N ATOM 1162 CA ASN A 435 4.289 -0.798 9.180 1.00 0.47 C ATOM 1163 C ASN A 435 5.282 -0.656 8.028 1.00 0.39 C ATOM 1164 O ASN A 435 5.316 -1.481 7.116 1.00 0.38 O ATOM 1165 CB ASN A 435 4.770 -1.863 10.168 1.00 0.59 C ATOM 1166 CG ASN A 435 4.718 -3.264 9.591 1.00 1.26 C ATOM 1167 OD1 ASN A 435 5.365 -3.562 8.590 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.944 -4.136 10.228 1.00 1.81 N ATOM 0 H ASN A 435 2.926 -1.427 7.713 1.00 0.43 H new ATOM 0 HA ASN A 435 4.231 0.159 9.698 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.793 -1.637 10.470 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.156 -1.822 11.067 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.870 -5.095 9.889 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.424 -3.846 11.056 1.00 1.81 H new ATOM 1175 N ALA A 436 6.080 0.406 8.078 1.00 0.49 N ATOM 1176 CA ALA A 436 7.072 0.678 7.042 1.00 0.55 C ATOM 1177 C ALA A 436 8.206 -0.343 7.056 1.00 0.55 C ATOM 1178 O ALA A 436 9.000 -0.408 6.117 1.00 0.54 O ATOM 1179 CB ALA A 436 7.628 2.085 7.208 1.00 0.75 C ATOM 0 H ALA A 436 6.059 1.096 8.829 1.00 0.49 H new ATOM 0 HA ALA A 436 6.572 0.597 6.077 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.367 2.278 6.431 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.817 2.809 7.126 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.099 2.177 8.187 1.00 0.75 H new ATOM 1185 N ASP A 437 8.287 -1.129 8.125 1.00 0.65 N ATOM 1186 CA ASP A 437 9.336 -2.137 8.258 1.00 0.75 C ATOM 1187 C ASP A 437 9.346 -3.091 7.064 1.00 0.71 C ATOM 1188 O ASP A 437 10.409 -3.461 6.564 1.00 0.78 O ATOM 1189 CB ASP A 437 9.146 -2.929 9.552 1.00 0.92 C ATOM 1190 CG ASP A 437 9.194 -2.045 10.784 1.00 1.02 C ATOM 1191 OD1 ASP A 437 8.348 -1.131 10.892 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.075 -2.267 11.641 1.00 1.34 O ATOM 0 H ASP A 437 7.640 -1.088 8.912 1.00 0.65 H new ATOM 0 HA ASP A 437 10.294 -1.619 8.288 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.189 -3.450 9.519 1.00 0.92 H new ATOM 0 HB3 ASP A 437 9.921 -3.692 9.625 1.00 0.92 H new ATOM 1197 N ASP A 438 8.160 -3.486 6.613 1.00 0.68 N ATOM 1198 CA ASP A 438 8.033 -4.399 5.479 1.00 0.73 C ATOM 1199 C ASP A 438 8.163 -3.663 4.154 1.00 0.73 C ATOM 1200 O ASP A 438 8.199 -4.282 3.091 1.00 1.35 O ATOM 1201 CB ASP A 438 6.699 -5.143 5.541 1.00 0.88 C ATOM 1202 CG ASP A 438 6.613 -6.074 6.736 1.00 1.08 C ATOM 1203 OD1 ASP A 438 6.768 -5.592 7.878 1.00 1.56 O ATOM 1204 OD2 ASP A 438 6.391 -7.285 6.531 1.00 1.36 O ATOM 0 H ASP A 438 7.271 -3.189 7.015 1.00 0.68 H new ATOM 0 HA ASP A 438 8.847 -5.122 5.542 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.884 -4.420 5.587 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.563 -5.718 4.625 1.00 0.88 H new ATOM 1209 N LEU A 439 8.231 -2.342 4.222 1.00 0.54 N ATOM 1210 CA LEU A 439 8.352 -1.525 3.024 1.00 0.53 C ATOM 1211 C LEU A 439 9.805 -1.150 2.744 1.00 0.61 C ATOM 1212 O LEU A 439 10.533 -1.897 2.089 1.00 0.86 O ATOM 1213 CB LEU A 439 7.487 -0.272 3.147 1.00 0.52 C ATOM 1214 CG LEU A 439 5.988 -0.514 2.984 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.450 -1.368 4.115 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.236 0.804 2.906 1.00 1.10 C ATOM 0 H LEU A 439 8.204 -1.813 5.094 1.00 0.54 H new ATOM 0 HA LEU A 439 7.998 -2.116 2.180 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.664 0.181 4.122 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.809 0.450 2.397 1.00 0.52 H new ATOM 0 HG LEU A 439 5.834 -1.053 2.049 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.381 -1.525 3.975 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.961 -2.331 4.119 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.621 -0.863 5.066 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.170 0.608 2.790 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.403 1.373 3.821 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.595 1.378 2.051 1.00 1.10 H new ATOM 1228 N GLY A 440 10.222 0.014 3.238 1.00 0.59 N ATOM 1229 CA GLY A 440 11.584 0.468 3.021 1.00 0.77 C ATOM 1230 C GLY A 440 11.918 1.707 3.829 1.00 0.96 C ATOM 1231 O GLY A 440 12.620 2.595 3.350 1.00 1.36 O ATOM 0 H GLY A 440 9.641 0.650 3.784 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.277 -0.331 3.285 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.729 0.679 1.961 1.00 0.77 H new ATOM 1235 N GLY A 441 11.414 1.764 5.059 1.00 0.93 N ATOM 1236 CA GLY A 441 11.672 2.907 5.918 1.00 1.24 C ATOM 1237 C GLY A 441 11.026 4.176 5.414 1.00 1.14 C ATOM 1238 O GLY A 441 11.051 4.465 4.217 1.00 1.83 O ATOM 0 H GLY A 441 10.831 1.038 5.476 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.305 2.692 6.921 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.748 3.060 5.998 1.00 1.24 H new ATOM 1242 N ILE A 442 10.465 4.950 6.332 1.00 1.10 N ATOM 1243 CA ILE A 442 9.839 6.204 5.977 1.00 1.03 C ATOM 1244 C ILE A 442 10.888 7.142 5.422 1.00 1.05 C ATOM 1245 O ILE A 442 11.912 7.378 6.062 1.00 1.39 O ATOM 1246 CB ILE A 442 9.149 6.866 7.188 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.008 5.983 7.699 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.634 8.251 6.821 1.00 1.38 C ATOM 1249 CD1 ILE A 442 6.924 5.740 6.671 1.00 1.48 C ATOM 0 H ILE A 442 10.433 4.727 7.327 1.00 1.10 H new ATOM 0 HA ILE A 442 9.073 5.999 5.229 1.00 1.03 H new ATOM 0 HB ILE A 442 9.883 6.977 7.986 1.00 1.26 H new ATOM 0 HG12 ILE A 442 8.416 5.024 8.018 1.00 1.41 H new ATOM 0 HG13 ILE A 442 7.565 6.449 8.579 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.151 8.701 7.688 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.468 8.877 6.505 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.914 8.168 6.007 1.00 1.38 H new ATOM 0 HD11 ILE A 442 6.149 5.107 7.102 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.488 6.693 6.369 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.353 5.245 5.800 1.00 1.48 H new ATOM 1261 N THR A 443 10.629 7.655 4.227 1.00 1.13 N ATOM 1262 CA THR A 443 11.544 8.566 3.556 1.00 1.36 C ATOM 1263 C THR A 443 13.000 8.120 3.705 1.00 1.47 C ATOM 1264 O THR A 443 13.282 6.931 3.852 1.00 2.20 O ATOM 1265 CB THR A 443 11.364 10.014 4.075 1.00 2.21 C ATOM 1266 OG1 THR A 443 12.082 10.934 3.242 1.00 3.05 O ATOM 1267 CG2 THR A 443 11.845 10.148 5.513 1.00 2.78 C ATOM 0 H THR A 443 9.781 7.452 3.697 1.00 1.13 H new ATOM 0 HA THR A 443 11.299 8.545 2.494 1.00 1.36 H new ATOM 0 HB THR A 443 10.300 10.248 4.042 1.00 2.21 H new ATOM 0 HG1 THR A 443 12.260 10.518 2.373 1.00 3.05 H new ATOM 0 HG21 THR A 443 11.706 11.176 5.849 1.00 2.78 H new ATOM 0 HG22 THR A 443 11.272 9.476 6.152 1.00 2.78 H new ATOM 0 HG23 THR A 443 12.902 9.888 5.569 1.00 2.78 H new ATOM 1275 N VAL A 444 13.908 9.089 3.662 1.00 1.90 N ATOM 1276 CA VAL A 444 15.338 8.849 3.793 1.00 2.70 C ATOM 1277 C VAL A 444 15.808 7.661 2.950 1.00 3.02 C ATOM 1278 O VAL A 444 16.388 6.699 3.456 1.00 3.60 O ATOM 1279 CB VAL A 444 15.753 8.681 5.272 1.00 3.53 C ATOM 1280 CG1 VAL A 444 15.225 7.388 5.879 1.00 4.18 C ATOM 1281 CG2 VAL A 444 17.258 8.776 5.395 1.00 4.02 C ATOM 0 H VAL A 444 13.668 10.072 3.534 1.00 1.90 H new ATOM 0 HA VAL A 444 15.839 9.735 3.403 1.00 2.70 H new ATOM 0 HB VAL A 444 15.299 9.491 5.843 1.00 3.53 H new ATOM 0 HG11 VAL A 444 15.544 7.317 6.919 1.00 4.18 H new ATOM 0 HG12 VAL A 444 14.136 7.382 5.832 1.00 4.18 H new ATOM 0 HG13 VAL A 444 15.617 6.538 5.321 1.00 4.18 H new ATOM 0 HG21 VAL A 444 17.546 8.657 6.440 1.00 4.02 H new ATOM 0 HG22 VAL A 444 17.722 7.990 4.799 1.00 4.02 H new ATOM 0 HG23 VAL A 444 17.592 9.749 5.035 1.00 4.02 H new ATOM 1291 N LEU A 445 15.564 7.751 1.647 1.00 3.13 N ATOM 1292 CA LEU A 445 15.966 6.703 0.714 1.00 3.83 C ATOM 1293 C LEU A 445 16.634 7.309 -0.518 1.00 4.75 C ATOM 1294 O LEU A 445 16.220 8.364 -0.998 1.00 4.99 O ATOM 1295 CB LEU A 445 14.756 5.864 0.293 1.00 3.87 C ATOM 1296 CG LEU A 445 14.069 5.098 1.426 1.00 3.48 C ATOM 1297 CD1 LEU A 445 12.862 4.339 0.898 1.00 3.82 C ATOM 1298 CD2 LEU A 445 15.047 4.143 2.097 1.00 3.70 C ATOM 0 H LEU A 445 15.088 8.541 1.211 1.00 3.13 H new ATOM 0 HA LEU A 445 16.683 6.056 1.219 1.00 3.83 H new ATOM 0 HB2 LEU A 445 14.024 6.521 -0.176 1.00 3.87 H new ATOM 0 HB3 LEU A 445 15.075 5.150 -0.466 1.00 3.87 H new ATOM 0 HG LEU A 445 13.727 5.818 2.170 1.00 3.48 H new ATOM 0 HD11 LEU A 445 12.385 3.800 1.716 1.00 3.82 H new ATOM 0 HD12 LEU A 445 12.151 5.042 0.464 1.00 3.82 H new ATOM 0 HD13 LEU A 445 13.183 3.630 0.135 1.00 3.82 H new ATOM 0 HD21 LEU A 445 14.540 3.608 2.900 1.00 3.70 H new ATOM 0 HD22 LEU A 445 15.419 3.428 1.363 1.00 3.70 H new ATOM 0 HD23 LEU A 445 15.883 4.708 2.509 1.00 3.70 H new ATOM 1310 N PRO A 446 17.689 6.655 -1.041 1.00 5.56 N ATOM 1311 CA PRO A 446 18.419 7.140 -2.217 1.00 6.59 C ATOM 1312 C PRO A 446 17.663 6.907 -3.522 1.00 7.07 C ATOM 1313 O PRO A 446 18.238 6.446 -4.508 1.00 7.26 O ATOM 1314 CB PRO A 446 19.706 6.317 -2.191 1.00 7.40 C ATOM 1315 CG PRO A 446 19.321 5.041 -1.528 1.00 6.97 C ATOM 1316 CD PRO A 446 18.258 5.393 -0.522 1.00 5.82 C ATOM 0 HA PRO A 446 18.578 8.218 -2.179 1.00 6.59 H new ATOM 0 HB2 PRO A 446 20.085 6.142 -3.198 1.00 7.40 H new ATOM 0 HB3 PRO A 446 20.493 6.829 -1.638 1.00 7.40 H new ATOM 0 HG2 PRO A 446 18.945 4.322 -2.256 1.00 6.97 H new ATOM 0 HG3 PRO A 446 20.181 4.581 -1.041 1.00 6.97 H new ATOM 0 HD2 PRO A 446 17.501 4.612 -0.450 1.00 5.82 H new ATOM 0 HD3 PRO A 446 18.678 5.523 0.475 1.00 5.82 H new ATOM 1324 N ALA A 447 16.374 7.231 -3.524 1.00 7.52 N ATOM 1325 CA ALA A 447 15.546 7.059 -4.711 1.00 8.19 C ATOM 1326 C ALA A 447 16.063 7.922 -5.861 1.00 8.83 C ATOM 1327 O ALA A 447 16.395 9.092 -5.664 1.00 9.06 O ATOM 1328 CB ALA A 447 14.098 7.401 -4.398 1.00 8.42 C ATOM 0 H ALA A 447 15.881 7.614 -2.717 1.00 7.52 H new ATOM 0 HA ALA A 447 15.599 6.015 -5.019 1.00 8.19 H new ATOM 0 HB1 ALA A 447 13.491 7.268 -5.294 1.00 8.42 H new ATOM 0 HB2 ALA A 447 13.731 6.743 -3.610 1.00 8.42 H new ATOM 0 HB3 ALA A 447 14.032 8.437 -4.066 1.00 8.42 H new ATOM 1334 N PRO A 448 16.138 7.362 -7.082 1.00 9.38 N ATOM 1335 CA PRO A 448 16.618 8.099 -8.255 1.00 10.23 C ATOM 1336 C PRO A 448 15.702 9.269 -8.610 1.00 10.87 C ATOM 1337 O PRO A 448 14.487 9.102 -8.713 1.00 11.06 O ATOM 1338 CB PRO A 448 16.613 7.051 -9.373 1.00 10.80 C ATOM 1339 CG PRO A 448 15.657 6.003 -8.915 1.00 10.31 C ATOM 1340 CD PRO A 448 15.763 5.976 -7.416 1.00 9.48 C ATOM 0 HA PRO A 448 17.599 8.543 -8.084 1.00 10.23 H new ATOM 0 HB2 PRO A 448 16.297 7.487 -10.321 1.00 10.80 H new ATOM 0 HB3 PRO A 448 17.609 6.636 -9.529 1.00 10.80 H new ATOM 0 HG2 PRO A 448 14.640 6.237 -9.231 1.00 10.31 H new ATOM 0 HG3 PRO A 448 15.908 5.032 -9.342 1.00 10.31 H new ATOM 0 HD2 PRO A 448 14.820 5.690 -6.950 1.00 9.48 H new ATOM 0 HD3 PRO A 448 16.514 5.262 -7.078 1.00 9.48 H new ATOM 1348 N PRO A 449 16.271 10.474 -8.801 1.00 11.41 N ATOM 1349 CA PRO A 449 15.488 11.667 -9.143 1.00 12.23 C ATOM 1350 C PRO A 449 14.881 11.581 -10.539 1.00 13.10 C ATOM 1351 O PRO A 449 15.591 11.377 -11.523 1.00 13.50 O ATOM 1352 CB PRO A 449 16.513 12.802 -9.074 1.00 12.72 C ATOM 1353 CG PRO A 449 17.827 12.141 -9.307 1.00 12.39 C ATOM 1354 CD PRO A 449 17.713 10.771 -8.698 1.00 11.49 C ATOM 0 HA PRO A 449 14.640 11.802 -8.472 1.00 12.23 H new ATOM 0 HB2 PRO A 449 16.313 13.562 -9.829 1.00 12.72 H new ATOM 0 HB3 PRO A 449 16.487 13.300 -8.105 1.00 12.72 H new ATOM 0 HG2 PRO A 449 18.049 12.078 -10.372 1.00 12.39 H new ATOM 0 HG3 PRO A 449 18.636 12.707 -8.846 1.00 12.39 H new ATOM 0 HD2 PRO A 449 18.314 10.039 -9.238 1.00 11.49 H new ATOM 0 HD3 PRO A 449 18.053 10.761 -7.662 1.00 11.49 H new ATOM 1362 N LEU A 450 13.564 11.741 -10.615 1.00 13.55 N ATOM 1363 CA LEU A 450 12.857 11.685 -11.889 1.00 14.50 C ATOM 1364 C LEU A 450 12.808 13.060 -12.549 1.00 14.96 C ATOM 1365 O LEU A 450 12.547 14.066 -11.889 1.00 15.17 O ATOM 1366 CB LEU A 450 11.436 11.153 -11.687 1.00 15.07 C ATOM 1367 CG LEU A 450 10.598 11.031 -12.962 1.00 15.25 C ATOM 1368 CD1 LEU A 450 11.260 10.080 -13.949 1.00 15.76 C ATOM 1369 CD2 LEU A 450 9.190 10.560 -12.630 1.00 15.35 C ATOM 0 H LEU A 450 12.964 11.911 -9.808 1.00 13.55 H new ATOM 0 HA LEU A 450 13.402 11.007 -12.546 1.00 14.50 H new ATOM 0 HB2 LEU A 450 11.496 10.172 -11.216 1.00 15.07 H new ATOM 0 HB3 LEU A 450 10.915 11.810 -10.990 1.00 15.07 H new ATOM 0 HG LEU A 450 10.532 12.015 -13.426 1.00 15.25 H new ATOM 0 HD11 LEU A 450 10.649 10.006 -14.849 1.00 15.76 H new ATOM 0 HD12 LEU A 450 12.248 10.458 -14.211 1.00 15.76 H new ATOM 0 HD13 LEU A 450 11.357 9.094 -13.495 1.00 15.76 H new ATOM 0 HD21 LEU A 450 8.608 10.479 -13.548 1.00 15.35 H new ATOM 0 HD22 LEU A 450 9.238 9.586 -12.143 1.00 15.35 H new ATOM 0 HD23 LEU A 450 8.715 11.277 -11.961 1.00 15.35 H new ATOM 1381 N ALA A 451 13.055 13.094 -13.854 1.00 15.28 N ATOM 1382 CA ALA A 451 13.033 14.343 -14.606 1.00 15.91 C ATOM 1383 C ALA A 451 11.651 14.992 -14.541 1.00 16.47 C ATOM 1384 O ALA A 451 10.633 14.311 -14.664 1.00 16.74 O ATOM 1385 CB ALA A 451 13.434 14.097 -16.052 1.00 16.18 C ATOM 0 H ALA A 451 13.273 12.270 -14.414 1.00 15.28 H new ATOM 0 HA ALA A 451 13.753 15.026 -14.154 1.00 15.91 H new ATOM 0 HB1 ALA A 451 13.413 15.039 -16.601 1.00 16.18 H new ATOM 0 HB2 ALA A 451 14.441 13.681 -16.085 1.00 16.18 H new ATOM 0 HB3 ALA A 451 12.736 13.395 -16.509 1.00 16.18 H new ATOM 1391 N PRO A 452 11.593 16.323 -14.349 1.00 16.82 N ATOM 1392 CA PRO A 452 10.322 17.052 -14.271 1.00 17.52 C ATOM 1393 C PRO A 452 9.511 16.937 -15.557 1.00 18.21 C ATOM 1394 O PRO A 452 10.032 17.152 -16.652 1.00 18.53 O ATOM 1395 CB PRO A 452 10.747 18.507 -14.035 1.00 17.79 C ATOM 1396 CG PRO A 452 12.170 18.575 -14.473 1.00 17.36 C ATOM 1397 CD PRO A 452 12.751 17.219 -14.195 1.00 16.73 C ATOM 0 HA PRO A 452 9.677 16.655 -13.487 1.00 17.52 H new ATOM 0 HB2 PRO A 452 10.126 19.196 -14.607 1.00 17.79 H new ATOM 0 HB3 PRO A 452 10.645 18.782 -12.985 1.00 17.79 H new ATOM 0 HG2 PRO A 452 12.241 18.821 -15.533 1.00 17.36 H new ATOM 0 HG3 PRO A 452 12.710 19.350 -13.929 1.00 17.36 H new ATOM 0 HD2 PRO A 452 13.549 16.971 -14.895 1.00 16.73 H new ATOM 0 HD3 PRO A 452 13.176 17.160 -13.193 1.00 16.73 H new ATOM 1405 N ASP A 453 8.231 16.598 -15.415 1.00 18.57 N ATOM 1406 CA ASP A 453 7.340 16.452 -16.564 1.00 19.36 C ATOM 1407 C ASP A 453 5.911 16.154 -16.114 1.00 19.52 C ATOM 1408 O ASP A 453 5.245 15.280 -16.669 1.00 19.55 O ATOM 1409 CB ASP A 453 7.838 15.337 -17.491 1.00 19.71 C ATOM 1410 CG ASP A 453 7.948 13.996 -16.789 1.00 20.25 C ATOM 1411 OD1 ASP A 453 7.646 13.927 -15.580 1.00 20.48 O ATOM 1412 OD2 ASP A 453 8.341 13.012 -17.452 1.00 20.55 O ATOM 0 H ASP A 453 7.787 16.419 -14.514 1.00 18.57 H new ATOM 0 HA ASP A 453 7.341 17.395 -17.110 1.00 19.36 H new ATOM 0 HB2 ASP A 453 7.158 15.244 -18.338 1.00 19.71 H new ATOM 0 HB3 ASP A 453 8.813 15.613 -17.893 1.00 19.71 H new ATOM 1417 N GLN A 454 5.446 16.890 -15.109 1.00 19.77 N ATOM 1418 CA GLN A 454 4.095 16.707 -14.588 1.00 20.09 C ATOM 1419 C GLN A 454 3.054 16.964 -15.673 1.00 20.37 C ATOM 1420 O GLN A 454 1.946 16.395 -15.576 1.00 20.63 O ATOM 1421 CB GLN A 454 3.853 17.642 -13.402 1.00 20.30 C ATOM 1422 CG GLN A 454 4.019 19.113 -13.745 1.00 20.53 C ATOM 1423 CD GLN A 454 3.755 20.023 -12.560 1.00 20.93 C ATOM 1424 OE1 GLN A 454 2.662 20.022 -11.996 1.00 21.22 O ATOM 1425 NE2 GLN A 454 4.758 20.805 -12.180 1.00 21.08 N ATOM 1426 OXT GLN A 454 3.355 17.733 -16.610 1.00 20.45 O ATOM 0 H GLN A 454 5.984 17.618 -14.639 1.00 19.77 H new ATOM 0 HA GLN A 454 3.998 15.674 -14.254 1.00 20.09 H new ATOM 0 HB2 GLN A 454 2.845 17.478 -13.020 1.00 20.30 H new ATOM 0 HB3 GLN A 454 4.544 17.384 -12.600 1.00 20.30 H new ATOM 0 HG2 GLN A 454 5.031 19.285 -14.111 1.00 20.53 H new ATOM 0 HG3 GLN A 454 3.338 19.372 -14.556 1.00 20.53 H new ATOM 0 HE21 GLN A 454 5.648 20.772 -12.678 1.00 21.08 H new ATOM 0 HE22 GLN A 454 4.639 21.439 -11.390 1.00 21.08 H new TER 1435 GLN A 454