USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 587 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 22 THR OG1 : rot -48:sc= 1.21 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.25 K(o=2.5,f=-2.4!) USER MOD Set 2.1: A 7 THR OG1 : rot -72:sc= -0.0404 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -112:sc= -2.41 (180deg=-6.45!) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.66 (180deg=0.614) USER MOD Single : A 2 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0.355 (180deg=-0.0581) USER MOD Single : A 12 THR OG1 : rot -25:sc= 0.713 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.603) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 0.0175 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= -6.95! C(o=-6.9!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.67) USER MOD Single : A 55 THR OG1 : rot -71:sc= 0.552 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= -0.193 USER MOD Single : A 60 ASN : amide:sc= -3.69! C(o=-3.7!,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -26:sc= -0.499 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.662 -20.267 -1.926 1.00 0.00 N ATOM 2 CA MET A 1 3.283 -19.637 -3.121 1.00 0.00 C ATOM 3 C MET A 1 3.983 -18.332 -2.755 1.00 0.00 C ATOM 4 O MET A 1 3.545 -17.611 -1.859 1.00 0.00 O ATOM 5 CB MET A 1 2.189 -19.377 -4.158 1.00 0.00 C ATOM 6 CG MET A 1 1.206 -18.294 -3.746 1.00 0.00 C ATOM 7 SD MET A 1 0.161 -17.747 -5.110 1.00 0.00 S ATOM 8 CE MET A 1 -1.344 -17.325 -4.233 1.00 0.00 C ATOM 0 H1 MET A 1 2.067 -21.066 -2.224 1.00 0.00 H new ATOM 0 H2 MET A 1 3.408 -20.610 -1.287 1.00 0.00 H new ATOM 0 H3 MET A 1 2.076 -19.566 -1.429 1.00 0.00 H new ATOM 0 HA MET A 1 4.037 -20.310 -3.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.655 -19.094 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.643 -20.303 -4.338 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.576 -18.669 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.757 -17.440 -3.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.131 -18.029 -4.502 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.165 -17.374 -3.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.652 -16.315 -4.504 1.00 0.00 H new ATOM 20 N GLN A 2 5.076 -18.037 -3.452 1.00 0.00 N ATOM 21 CA GLN A 2 5.837 -16.819 -3.198 1.00 0.00 C ATOM 22 C GLN A 2 5.427 -15.707 -4.158 1.00 0.00 C ATOM 23 O GLN A 2 5.132 -15.958 -5.327 1.00 0.00 O ATOM 24 CB GLN A 2 7.336 -17.094 -3.331 1.00 0.00 C ATOM 25 CG GLN A 2 7.934 -17.799 -2.123 1.00 0.00 C ATOM 26 CD GLN A 2 9.073 -17.019 -1.498 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.192 -17.013 -2.012 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.795 -16.355 -0.382 1.00 0.00 N ATOM 0 H GLN A 2 5.454 -18.624 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 2 5.621 -16.493 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.508 -17.703 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.858 -16.150 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.155 -17.958 -1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.294 -18.783 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.854 -16.387 0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.523 -15.813 0.083 1.00 0.00 H new ATOM 37 N LEU A 3 5.409 -14.476 -3.655 1.00 0.00 N ATOM 38 CA LEU A 3 5.036 -13.323 -4.465 1.00 0.00 C ATOM 39 C LEU A 3 6.022 -12.177 -4.269 1.00 0.00 C ATOM 40 O LEU A 3 6.651 -12.060 -3.216 1.00 0.00 O ATOM 41 CB LEU A 3 3.621 -12.860 -4.110 1.00 0.00 C ATOM 42 CG LEU A 3 2.624 -13.983 -3.825 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.501 -13.485 -2.929 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.064 -14.540 -5.125 1.00 0.00 C ATOM 0 H LEU A 3 5.649 -14.252 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 3 5.061 -13.624 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.676 -12.213 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.237 -12.254 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 3 3.148 -14.785 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.801 -14.298 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.917 -13.134 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.978 -12.665 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.356 -15.339 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.556 -13.746 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.878 -14.935 -5.732 1.00 0.00 H new ATOM 56 N PHE A 4 6.151 -11.332 -5.286 1.00 0.00 N ATOM 57 CA PHE A 4 7.060 -10.192 -5.225 1.00 0.00 C ATOM 58 C PHE A 4 6.290 -8.895 -5.008 1.00 0.00 C ATOM 59 O PHE A 4 5.175 -8.731 -5.506 1.00 0.00 O ATOM 60 CB PHE A 4 7.886 -10.101 -6.509 1.00 0.00 C ATOM 61 CG PHE A 4 8.306 -11.439 -7.048 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.671 -12.466 -6.186 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.337 -11.670 -8.419 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.059 -13.701 -6.680 1.00 0.00 C ATOM 65 CE2 PHE A 4 8.725 -12.903 -8.919 1.00 0.00 C ATOM 66 CZ PHE A 4 9.086 -13.920 -8.049 1.00 0.00 C ATOM 0 H PHE A 4 5.637 -11.415 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 4 7.733 -10.340 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.305 -9.578 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.775 -9.500 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.652 -12.300 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.056 -10.881 -9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.340 -14.492 -6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.746 -13.071 -9.986 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.388 -14.882 -8.437 1.00 0.00 H new ATOM 76 N VAL A 5 6.889 -7.974 -4.261 1.00 0.00 N ATOM 77 CA VAL A 5 6.259 -6.690 -3.979 1.00 0.00 C ATOM 78 C VAL A 5 7.246 -5.540 -4.150 1.00 0.00 C ATOM 79 O VAL A 5 8.195 -5.404 -3.376 1.00 0.00 O ATOM 80 CB VAL A 5 5.683 -6.648 -2.550 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.910 -5.359 -2.322 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.798 -7.860 -2.297 1.00 0.00 C ATOM 0 H VAL A 5 7.810 -8.093 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 5 5.446 -6.575 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 5 6.512 -6.676 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.511 -5.348 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.575 -4.507 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.088 -5.296 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.400 -7.814 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.974 -7.864 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.385 -8.771 -2.415 1.00 0.00 H new ATOM 92 N LYS A 6 7.016 -4.716 -5.165 1.00 0.00 N ATOM 93 CA LYS A 6 7.885 -3.578 -5.438 1.00 0.00 C ATOM 94 C LYS A 6 7.220 -2.271 -5.014 1.00 0.00 C ATOM 95 O LYS A 6 6.021 -2.234 -4.739 1.00 0.00 O ATOM 96 CB LYS A 6 8.237 -3.523 -6.926 1.00 0.00 C ATOM 97 CG LYS A 6 7.107 -3.004 -7.800 1.00 0.00 C ATOM 98 CD LYS A 6 7.531 -2.902 -9.257 1.00 0.00 C ATOM 99 CE LYS A 6 8.015 -1.502 -9.598 1.00 0.00 C ATOM 100 NZ LYS A 6 8.997 -1.511 -10.717 1.00 0.00 N ATOM 0 H LYS A 6 6.235 -4.815 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 6 8.800 -3.705 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.111 -2.886 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.516 -4.522 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.246 -3.668 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.790 -2.024 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.325 -3.622 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.692 -3.165 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.162 -0.879 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.472 -1.051 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.302 -0.538 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.822 -2.085 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.553 -1.917 -11.565 1.00 0.00 H new ATOM 114 N THR A 7 8.008 -1.202 -4.963 1.00 0.00 N ATOM 115 CA THR A 7 7.497 0.106 -4.573 1.00 0.00 C ATOM 116 C THR A 7 7.735 1.135 -5.674 1.00 0.00 C ATOM 117 O THR A 7 8.177 0.794 -6.771 1.00 0.00 O ATOM 118 CB THR A 7 8.158 0.569 -3.274 1.00 0.00 C ATOM 119 OG1 THR A 7 9.522 0.187 -3.242 1.00 0.00 O ATOM 120 CG2 THR A 7 7.496 0.010 -2.034 1.00 0.00 C ATOM 0 H THR A 7 9.003 -1.216 -5.187 1.00 0.00 H new ATOM 0 HA THR A 7 6.423 0.015 -4.413 1.00 0.00 H new ATOM 0 HB THR A 7 8.051 1.654 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.588 -0.781 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.014 0.378 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.454 0.328 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.543 -1.079 -2.056 1.00 0.00 H new ATOM 128 N LEU A 8 7.441 2.395 -5.372 1.00 0.00 N ATOM 129 CA LEU A 8 7.625 3.474 -6.337 1.00 0.00 C ATOM 130 C LEU A 8 9.106 3.741 -6.575 1.00 0.00 C ATOM 131 O LEU A 8 9.489 4.293 -7.607 1.00 0.00 O ATOM 132 CB LEU A 8 6.936 4.749 -5.844 1.00 0.00 C ATOM 133 CG LEU A 8 5.520 4.966 -6.380 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.950 6.278 -5.861 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.517 4.945 -7.901 1.00 0.00 C ATOM 0 H LEU A 8 7.075 2.694 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 8 7.173 3.167 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.897 4.725 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.549 5.606 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 8 4.888 4.152 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.942 6.417 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.917 6.255 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.582 7.104 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.501 5.101 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.163 5.738 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.884 3.981 -8.252 1.00 0.00 H new ATOM 147 N THR A 9 9.935 3.342 -5.616 1.00 0.00 N ATOM 148 CA THR A 9 11.377 3.537 -5.721 1.00 0.00 C ATOM 149 C THR A 9 12.039 2.332 -6.382 1.00 0.00 C ATOM 150 O THR A 9 13.071 2.461 -7.041 1.00 0.00 O ATOM 151 CB THR A 9 11.984 3.770 -4.337 1.00 0.00 C ATOM 152 OG1 THR A 9 11.733 2.664 -3.488 1.00 0.00 O ATOM 153 CG2 THR A 9 11.449 5.008 -3.648 1.00 0.00 C ATOM 0 H THR A 9 9.633 2.882 -4.757 1.00 0.00 H new ATOM 0 HA THR A 9 11.556 4.416 -6.341 1.00 0.00 H new ATOM 0 HB THR A 9 13.052 3.903 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.130 2.831 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.921 5.114 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.670 5.886 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.370 4.916 -3.521 1.00 0.00 H new ATOM 161 N GLY A 10 11.438 1.161 -6.200 1.00 0.00 N ATOM 162 CA GLY A 10 11.981 -0.051 -6.783 1.00 0.00 C ATOM 163 C GLY A 10 12.151 -1.157 -5.760 1.00 0.00 C ATOM 164 O GLY A 10 12.074 -2.340 -6.096 1.00 0.00 O ATOM 0 H GLY A 10 10.584 1.030 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.322 -0.395 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.946 0.169 -7.240 1.00 0.00 H new ATOM 168 N LYS A 11 12.382 -0.772 -4.509 1.00 0.00 N ATOM 169 CA LYS A 11 12.563 -1.740 -3.432 1.00 0.00 C ATOM 170 C LYS A 11 11.560 -2.882 -3.555 1.00 0.00 C ATOM 171 O LYS A 11 10.382 -2.724 -3.239 1.00 0.00 O ATOM 172 CB LYS A 11 12.410 -1.053 -2.074 1.00 0.00 C ATOM 173 CG LYS A 11 12.327 -2.024 -0.907 1.00 0.00 C ATOM 174 CD LYS A 11 13.440 -1.781 0.099 1.00 0.00 C ATOM 175 CE LYS A 11 13.028 -2.211 1.498 1.00 0.00 C ATOM 176 NZ LYS A 11 12.675 -1.046 2.355 1.00 0.00 N ATOM 0 H LYS A 11 12.448 0.203 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 11 13.568 -2.154 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.255 -0.382 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.511 -0.436 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.360 -1.920 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.387 -3.047 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.332 -2.329 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.703 -0.723 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.175 -2.886 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.842 -2.769 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.428 -0.889 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.571 -0.198 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.779 -1.236 2.848 1.00 0.00 H new ATOM 190 N THR A 12 12.037 -4.034 -4.018 1.00 0.00 N ATOM 191 CA THR A 12 11.182 -5.203 -4.184 1.00 0.00 C ATOM 192 C THR A 12 11.552 -6.297 -3.188 1.00 0.00 C ATOM 193 O THR A 12 12.727 -6.505 -2.887 1.00 0.00 O ATOM 194 CB THR A 12 11.289 -5.740 -5.611 1.00 0.00 C ATOM 195 OG1 THR A 12 11.515 -4.684 -6.529 1.00 0.00 O ATOM 196 CG2 THR A 12 10.053 -6.486 -6.064 1.00 0.00 C ATOM 0 H THR A 12 13.010 -4.182 -4.284 1.00 0.00 H new ATOM 0 HA THR A 12 10.153 -4.898 -3.993 1.00 0.00 H new ATOM 0 HB THR A 12 12.128 -6.436 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.175 -3.845 -6.153 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.196 -6.840 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.880 -7.337 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.192 -5.819 -6.028 1.00 0.00 H new ATOM 204 N LEU A 13 10.541 -6.994 -2.681 1.00 0.00 N ATOM 205 CA LEU A 13 10.757 -8.069 -1.720 1.00 0.00 C ATOM 206 C LEU A 13 9.851 -9.258 -2.023 1.00 0.00 C ATOM 207 O LEU A 13 8.892 -9.140 -2.787 1.00 0.00 O ATOM 208 CB LEU A 13 10.505 -7.568 -0.297 1.00 0.00 C ATOM 209 CG LEU A 13 9.142 -6.909 -0.076 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.334 -7.691 0.948 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.315 -5.464 0.368 1.00 0.00 C ATOM 0 H LEU A 13 9.563 -6.833 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 13 11.794 -8.395 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.601 -8.408 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.285 -6.852 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 13 8.597 -6.915 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.367 -7.209 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.182 -8.709 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.873 -7.716 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.336 -5.011 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.878 -5.435 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.856 -4.910 -0.399 1.00 0.00 H new ATOM 223 N THR A 14 10.160 -10.401 -1.422 1.00 0.00 N ATOM 224 CA THR A 14 9.372 -11.611 -1.629 1.00 0.00 C ATOM 225 C THR A 14 8.591 -11.976 -0.370 1.00 0.00 C ATOM 226 O THR A 14 8.994 -11.635 0.742 1.00 0.00 O ATOM 227 CB THR A 14 10.280 -12.772 -2.035 1.00 0.00 C ATOM 228 OG1 THR A 14 11.185 -12.371 -3.049 1.00 0.00 O ATOM 229 CG2 THR A 14 9.518 -13.975 -2.549 1.00 0.00 C ATOM 0 H THR A 14 10.950 -10.516 -0.787 1.00 0.00 H new ATOM 0 HA THR A 14 8.660 -11.418 -2.431 1.00 0.00 H new ATOM 0 HB THR A 14 10.808 -13.057 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.758 -13.127 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.221 -14.763 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.846 -14.340 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.937 -13.690 -3.426 1.00 0.00 H new ATOM 237 N VAL A 15 7.472 -12.669 -0.554 1.00 0.00 N ATOM 238 CA VAL A 15 6.635 -13.080 0.566 1.00 0.00 C ATOM 239 C VAL A 15 6.009 -14.448 0.314 1.00 0.00 C ATOM 240 O VAL A 15 5.795 -14.841 -0.833 1.00 0.00 O ATOM 241 CB VAL A 15 5.515 -12.059 0.834 1.00 0.00 C ATOM 242 CG1 VAL A 15 5.987 -10.987 1.802 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.037 -11.437 -0.470 1.00 0.00 C ATOM 0 H VAL A 15 7.124 -12.958 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 15 7.284 -13.136 1.440 1.00 0.00 H new ATOM 0 HB VAL A 15 4.675 -12.582 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.181 -10.275 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.275 -11.450 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.845 -10.466 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.245 -10.718 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.869 -10.929 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.654 -12.218 -1.127 1.00 0.00 H new ATOM 253 N GLU A 16 5.719 -15.167 1.392 1.00 0.00 N ATOM 254 CA GLU A 16 5.117 -16.491 1.290 1.00 0.00 C ATOM 255 C GLU A 16 3.632 -16.440 1.635 1.00 0.00 C ATOM 256 O GLU A 16 3.259 -16.400 2.809 1.00 0.00 O ATOM 257 CB GLU A 16 5.835 -17.473 2.217 1.00 0.00 C ATOM 258 CG GLU A 16 6.579 -18.575 1.479 1.00 0.00 C ATOM 259 CD GLU A 16 6.145 -19.961 1.911 1.00 0.00 C ATOM 260 OE1 GLU A 16 4.938 -20.265 1.809 1.00 0.00 O ATOM 261 OE2 GLU A 16 7.014 -20.744 2.351 1.00 0.00 O ATOM 0 H GLU A 16 5.891 -14.855 2.348 1.00 0.00 H new ATOM 0 HA GLU A 16 5.221 -16.833 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.541 -16.923 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.105 -17.926 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.415 -18.464 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.650 -18.463 1.651 1.00 0.00 H new ATOM 268 N LEU A 17 2.789 -16.441 0.608 1.00 0.00 N ATOM 269 CA LEU A 17 1.346 -16.395 0.805 1.00 0.00 C ATOM 270 C LEU A 17 0.643 -17.435 -0.062 1.00 0.00 C ATOM 271 O LEU A 17 1.180 -17.880 -1.076 1.00 0.00 O ATOM 272 CB LEU A 17 0.811 -14.998 0.480 1.00 0.00 C ATOM 273 CG LEU A 17 1.432 -13.862 1.296 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.095 -12.515 0.676 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.960 -13.922 2.740 1.00 0.00 C ATOM 0 H LEU A 17 3.081 -16.473 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 17 1.140 -16.623 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.978 -14.798 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.267 -14.992 0.639 1.00 0.00 H new ATOM 0 HG LEU A 17 2.515 -13.982 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.545 -11.719 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.485 -12.475 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.013 -12.385 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.412 -13.107 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.125 -13.828 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.255 -14.875 3.180 1.00 0.00 H new ATOM 287 N GLU A 18 -0.564 -17.818 0.345 1.00 0.00 N ATOM 288 CA GLU A 18 -1.344 -18.807 -0.390 1.00 0.00 C ATOM 289 C GLU A 18 -2.526 -18.148 -1.095 1.00 0.00 C ATOM 290 O GLU A 18 -2.970 -17.068 -0.705 1.00 0.00 O ATOM 291 CB GLU A 18 -1.843 -19.898 0.558 1.00 0.00 C ATOM 292 CG GLU A 18 -0.813 -20.323 1.591 1.00 0.00 C ATOM 293 CD GLU A 18 0.095 -21.428 1.087 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.983 -21.134 0.258 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.079 -22.585 1.523 1.00 0.00 O ATOM 0 H GLU A 18 -1.023 -17.457 1.181 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.699 -19.259 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.735 -19.541 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.139 -20.769 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.208 -19.461 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.325 -20.661 2.492 1.00 0.00 H new ATOM 302 N PRO A 19 -3.052 -18.795 -2.146 1.00 0.00 N ATOM 303 CA PRO A 19 -4.191 -18.274 -2.909 1.00 0.00 C ATOM 304 C PRO A 19 -5.431 -18.094 -2.042 1.00 0.00 C ATOM 305 O PRO A 19 -6.373 -17.400 -2.425 1.00 0.00 O ATOM 306 CB PRO A 19 -4.435 -19.342 -3.983 1.00 0.00 C ATOM 307 CG PRO A 19 -3.754 -20.568 -3.475 1.00 0.00 C ATOM 308 CD PRO A 19 -2.582 -20.086 -2.671 1.00 0.00 C ATOM 0 HA PRO A 19 -3.983 -17.286 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.501 -19.516 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.026 -19.034 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.430 -21.164 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.428 -21.203 -4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.329 -20.780 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.690 -19.971 -3.286 1.00 0.00 H new ATOM 316 N SER A 20 -5.424 -18.722 -0.871 1.00 0.00 N ATOM 317 CA SER A 20 -6.549 -18.629 0.052 1.00 0.00 C ATOM 318 C SER A 20 -6.474 -17.342 0.866 1.00 0.00 C ATOM 319 O SER A 20 -7.486 -16.852 1.368 1.00 0.00 O ATOM 320 CB SER A 20 -6.569 -19.839 0.989 1.00 0.00 C ATOM 321 OG SER A 20 -5.692 -19.650 2.086 1.00 0.00 O ATOM 0 H SER A 20 -4.652 -19.300 -0.539 1.00 0.00 H new ATOM 0 HA SER A 20 -7.469 -18.617 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.583 -20.003 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.280 -20.734 0.438 1.00 0.00 H new ATOM 0 HG SER A 20 -5.725 -20.436 2.670 1.00 0.00 H new ATOM 327 N ASP A 21 -5.268 -16.798 0.992 1.00 0.00 N ATOM 328 CA ASP A 21 -5.058 -15.567 1.743 1.00 0.00 C ATOM 329 C ASP A 21 -5.852 -14.418 1.131 1.00 0.00 C ATOM 330 O ASP A 21 -6.451 -14.562 0.066 1.00 0.00 O ATOM 331 CB ASP A 21 -3.570 -15.212 1.778 1.00 0.00 C ATOM 332 CG ASP A 21 -2.794 -16.068 2.759 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.433 -16.809 3.535 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.547 -16.000 2.750 1.00 0.00 O ATOM 0 H ASP A 21 -4.421 -17.191 0.583 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.409 -15.728 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.147 -15.333 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.456 -14.162 2.047 1.00 0.00 H new ATOM 339 N THR A 22 -5.853 -13.277 1.812 1.00 0.00 N ATOM 340 CA THR A 22 -6.575 -12.104 1.334 1.00 0.00 C ATOM 341 C THR A 22 -5.677 -10.871 1.340 1.00 0.00 C ATOM 342 O THR A 22 -4.626 -10.859 1.983 1.00 0.00 O ATOM 343 CB THR A 22 -7.810 -11.853 2.200 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.434 -11.505 3.520 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.735 -13.048 2.285 1.00 0.00 C ATOM 0 H THR A 22 -5.362 -13.140 2.696 1.00 0.00 H new ATOM 0 HA THR A 22 -6.890 -12.296 0.308 1.00 0.00 H new ATOM 0 HB THR A 22 -8.343 -11.036 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.766 -12.142 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.590 -12.802 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.083 -13.311 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.199 -13.893 2.716 1.00 0.00 H new ATOM 353 N VAL A 23 -6.097 -9.836 0.621 1.00 0.00 N ATOM 354 CA VAL A 23 -5.331 -8.600 0.546 1.00 0.00 C ATOM 355 C VAL A 23 -4.917 -8.133 1.937 1.00 0.00 C ATOM 356 O VAL A 23 -3.879 -7.492 2.104 1.00 0.00 O ATOM 357 CB VAL A 23 -6.134 -7.480 -0.143 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.231 -6.305 -0.481 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.822 -8.009 -1.392 1.00 0.00 C ATOM 0 H VAL A 23 -6.963 -9.829 0.083 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.441 -8.812 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.902 -7.131 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.816 -5.524 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.789 -5.911 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.439 -6.636 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.385 -7.205 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.073 -8.387 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.502 -8.815 -1.119 1.00 0.00 H new ATOM 369 N GLU A 24 -5.735 -8.460 2.932 1.00 0.00 N ATOM 370 CA GLU A 24 -5.451 -8.078 4.310 1.00 0.00 C ATOM 371 C GLU A 24 -4.182 -8.762 4.808 1.00 0.00 C ATOM 372 O GLU A 24 -3.296 -8.116 5.366 1.00 0.00 O ATOM 373 CB GLU A 24 -6.629 -8.440 5.216 1.00 0.00 C ATOM 374 CG GLU A 24 -7.314 -7.231 5.834 1.00 0.00 C ATOM 375 CD GLU A 24 -7.935 -7.539 7.183 1.00 0.00 C ATOM 376 OE1 GLU A 24 -8.025 -8.733 7.535 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.332 -6.586 7.884 1.00 0.00 O ATOM 0 H GLU A 24 -6.599 -8.988 2.810 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.300 -6.999 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.360 -9.006 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.276 -9.094 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.588 -6.426 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.087 -6.870 5.156 1.00 0.00 H new ATOM 384 N ASN A 25 -4.101 -10.071 4.596 1.00 0.00 N ATOM 385 CA ASN A 25 -2.939 -10.842 5.019 1.00 0.00 C ATOM 386 C ASN A 25 -1.670 -10.294 4.376 1.00 0.00 C ATOM 387 O ASN A 25 -0.672 -10.049 5.056 1.00 0.00 O ATOM 388 CB ASN A 25 -3.116 -12.317 4.652 1.00 0.00 C ATOM 389 CG ASN A 25 -4.326 -12.937 5.323 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.444 -12.849 4.816 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.108 -13.570 6.470 1.00 0.00 N ATOM 0 H ASN A 25 -4.826 -10.620 4.134 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.847 -10.756 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.216 -12.410 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.222 -12.870 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.884 -14.008 6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.164 -13.619 6.854 1.00 0.00 H new ATOM 398 N LEU A 26 -1.716 -10.100 3.062 1.00 0.00 N ATOM 399 CA LEU A 26 -0.571 -9.575 2.328 1.00 0.00 C ATOM 400 C LEU A 26 -0.184 -8.195 2.850 1.00 0.00 C ATOM 401 O LEU A 26 0.969 -7.957 3.213 1.00 0.00 O ATOM 402 CB LEU A 26 -0.886 -9.498 0.832 1.00 0.00 C ATOM 403 CG LEU A 26 0.016 -8.563 0.026 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.479 -8.826 0.345 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.245 -8.725 -1.464 1.00 0.00 C ATOM 0 H LEU A 26 -2.533 -10.298 2.484 1.00 0.00 H new ATOM 0 HA LEU A 26 0.269 -10.253 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.814 -10.500 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.920 -9.174 0.710 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.216 -7.535 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.106 -8.151 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.656 -8.658 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.726 -9.858 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.406 -8.052 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.042 -9.754 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.286 -8.485 -1.679 1.00 0.00 H new ATOM 417 N LYS A 27 -1.157 -7.289 2.889 1.00 0.00 N ATOM 418 CA LYS A 27 -0.918 -5.936 3.373 1.00 0.00 C ATOM 419 C LYS A 27 -0.204 -5.969 4.720 1.00 0.00 C ATOM 420 O LYS A 27 0.790 -5.273 4.925 1.00 0.00 O ATOM 421 CB LYS A 27 -2.238 -5.174 3.497 1.00 0.00 C ATOM 422 CG LYS A 27 -2.727 -4.587 2.182 1.00 0.00 C ATOM 423 CD LYS A 27 -3.513 -3.305 2.402 1.00 0.00 C ATOM 424 CE LYS A 27 -4.401 -2.984 1.211 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.465 -1.520 0.943 1.00 0.00 N ATOM 0 H LYS A 27 -2.116 -7.468 2.592 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.282 -5.421 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.000 -5.846 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.117 -4.369 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.875 -4.386 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.354 -5.316 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.126 -3.402 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.823 -2.479 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.023 -3.498 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.406 -3.363 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.343 -1.299 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.449 -1.001 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.648 -1.237 0.366 1.00 0.00 H new ATOM 439 N ALA A 28 -0.716 -6.787 5.634 1.00 0.00 N ATOM 440 CA ALA A 28 -0.125 -6.915 6.957 1.00 0.00 C ATOM 441 C ALA A 28 1.362 -7.235 6.854 1.00 0.00 C ATOM 442 O ALA A 28 2.188 -6.617 7.526 1.00 0.00 O ATOM 443 CB ALA A 28 -0.845 -7.988 7.760 1.00 0.00 C ATOM 0 H ALA A 28 -1.539 -7.370 5.481 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.235 -5.962 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.390 -8.071 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.896 -7.719 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.766 -8.944 7.243 1.00 0.00 H new ATOM 449 N LYS A 29 1.696 -8.200 6.004 1.00 0.00 N ATOM 450 CA LYS A 29 3.085 -8.596 5.809 1.00 0.00 C ATOM 451 C LYS A 29 3.928 -7.394 5.403 1.00 0.00 C ATOM 452 O LYS A 29 5.085 -7.269 5.803 1.00 0.00 O ATOM 453 CB LYS A 29 3.183 -9.689 4.743 1.00 0.00 C ATOM 454 CG LYS A 29 2.356 -10.925 5.061 1.00 0.00 C ATOM 455 CD LYS A 29 3.239 -12.135 5.323 1.00 0.00 C ATOM 456 CE LYS A 29 2.624 -13.059 6.361 1.00 0.00 C ATOM 457 NZ LYS A 29 3.330 -12.976 7.669 1.00 0.00 N ATOM 0 H LYS A 29 1.025 -8.721 5.440 1.00 0.00 H new ATOM 0 HA LYS A 29 3.466 -8.989 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.858 -9.281 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.227 -9.980 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.733 -10.732 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.683 -11.137 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.393 -12.682 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.220 -11.804 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.574 -12.802 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.655 -14.086 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.879 -13.622 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.326 -13.246 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.278 -12.002 8.030 1.00 0.00 H new ATOM 471 N ILE A 30 3.336 -6.507 4.608 1.00 0.00 N ATOM 472 CA ILE A 30 4.026 -5.308 4.150 1.00 0.00 C ATOM 473 C ILE A 30 4.109 -4.269 5.262 1.00 0.00 C ATOM 474 O ILE A 30 4.949 -3.369 5.228 1.00 0.00 O ATOM 475 CB ILE A 30 3.319 -4.684 2.932 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.981 -5.765 1.903 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.191 -3.604 2.310 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.103 -5.271 0.773 1.00 0.00 C ATOM 0 H ILE A 30 2.379 -6.597 4.268 1.00 0.00 H new ATOM 0 HA ILE A 30 5.032 -5.611 3.860 1.00 0.00 H new ATOM 0 HB ILE A 30 2.389 -4.224 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.907 -6.161 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.480 -6.591 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.678 -3.172 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.385 -2.824 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.136 -4.041 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.904 -6.090 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.161 -4.902 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.611 -4.465 0.243 1.00 0.00 H new ATOM 490 N GLN A 31 3.229 -4.400 6.249 1.00 0.00 N ATOM 491 CA GLN A 31 3.200 -3.476 7.376 1.00 0.00 C ATOM 492 C GLN A 31 4.128 -3.951 8.490 1.00 0.00 C ATOM 493 O GLN A 31 4.563 -3.162 9.329 1.00 0.00 O ATOM 494 CB GLN A 31 1.774 -3.336 7.908 1.00 0.00 C ATOM 495 CG GLN A 31 1.619 -2.248 8.959 1.00 0.00 C ATOM 496 CD GLN A 31 0.209 -2.169 9.511 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.568 -3.116 9.398 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.127 -1.033 10.113 1.00 0.00 N ATOM 0 H GLN A 31 2.526 -5.138 6.291 1.00 0.00 H new ATOM 0 HA GLN A 31 3.547 -2.503 7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.104 -3.123 7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.459 -4.289 8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.315 -2.435 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.890 -1.286 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.550 -0.274 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.062 -0.920 10.504 1.00 0.00 H new ATOM 507 N ASP A 32 4.424 -5.246 8.492 1.00 0.00 N ATOM 508 CA ASP A 32 5.300 -5.829 9.502 1.00 0.00 C ATOM 509 C ASP A 32 6.757 -5.801 9.052 1.00 0.00 C ATOM 510 O ASP A 32 7.671 -5.767 9.876 1.00 0.00 O ATOM 511 CB ASP A 32 4.877 -7.262 9.804 1.00 0.00 C ATOM 512 CG ASP A 32 4.520 -7.467 11.263 1.00 0.00 C ATOM 513 OD1 ASP A 32 4.804 -6.563 12.077 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.954 -8.532 11.592 1.00 0.00 O ATOM 0 H ASP A 32 4.070 -5.912 7.805 1.00 0.00 H new ATOM 0 HA ASP A 32 5.211 -5.230 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.020 -7.523 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.685 -7.941 9.532 1.00 0.00 H new ATOM 519 N LYS A 33 6.968 -5.821 7.740 1.00 0.00 N ATOM 520 CA LYS A 33 8.316 -5.805 7.181 1.00 0.00 C ATOM 521 C LYS A 33 8.699 -4.407 6.703 1.00 0.00 C ATOM 522 O LYS A 33 9.751 -3.882 7.070 1.00 0.00 O ATOM 523 CB LYS A 33 8.422 -6.797 6.022 1.00 0.00 C ATOM 524 CG LYS A 33 8.546 -8.245 6.468 1.00 0.00 C ATOM 525 CD LYS A 33 9.609 -8.983 5.671 1.00 0.00 C ATOM 526 CE LYS A 33 8.996 -10.054 4.785 1.00 0.00 C ATOM 527 NZ LYS A 33 9.929 -10.484 3.707 1.00 0.00 N ATOM 0 H LYS A 33 6.223 -5.848 7.044 1.00 0.00 H new ATOM 0 HA LYS A 33 9.008 -6.099 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.542 -6.696 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.287 -6.538 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.795 -8.280 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.586 -8.747 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.163 -8.273 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.325 -9.440 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.723 -10.916 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.077 -9.674 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.383 -10.799 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.538 -9.686 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.519 -11.268 4.051 1.00 0.00 H new ATOM 541 N GLU A 34 7.843 -3.812 5.880 1.00 0.00 N ATOM 542 CA GLU A 34 8.099 -2.477 5.348 1.00 0.00 C ATOM 543 C GLU A 34 7.526 -1.400 6.265 1.00 0.00 C ATOM 544 O GLU A 34 7.758 -0.209 6.059 1.00 0.00 O ATOM 545 CB GLU A 34 7.502 -2.341 3.946 1.00 0.00 C ATOM 546 CG GLU A 34 8.131 -3.275 2.925 1.00 0.00 C ATOM 547 CD GLU A 34 9.581 -3.588 3.235 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.464 -2.842 2.761 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.834 -4.578 3.952 1.00 0.00 O ATOM 0 H GLU A 34 6.967 -4.231 5.567 1.00 0.00 H new ATOM 0 HA GLU A 34 9.179 -2.339 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.431 -2.538 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.622 -1.312 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.562 -4.204 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.065 -2.823 1.935 1.00 0.00 H new ATOM 556 N GLY A 35 6.780 -1.825 7.279 1.00 0.00 N ATOM 557 CA GLY A 35 6.190 -0.882 8.210 1.00 0.00 C ATOM 558 C GLY A 35 5.179 0.034 7.548 1.00 0.00 C ATOM 559 O GLY A 35 4.941 1.146 8.017 1.00 0.00 O ATOM 0 H GLY A 35 6.574 -2.805 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.705 -1.430 9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.979 -0.281 8.662 1.00 0.00 H new ATOM 563 N ILE A 36 4.582 -0.435 6.457 1.00 0.00 N ATOM 564 CA ILE A 36 3.591 0.352 5.733 1.00 0.00 C ATOM 565 C ILE A 36 2.175 -0.042 6.138 1.00 0.00 C ATOM 566 O ILE A 36 1.836 -1.223 6.178 1.00 0.00 O ATOM 567 CB ILE A 36 3.740 0.183 4.209 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.217 0.076 3.826 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.082 1.345 3.481 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.079 1.164 4.428 1.00 0.00 C ATOM 0 H ILE A 36 4.767 -1.354 6.056 1.00 0.00 H new ATOM 0 HA ILE A 36 3.766 1.396 5.994 1.00 0.00 H new ATOM 0 HB ILE A 36 3.240 -0.738 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.597 -0.895 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.306 0.113 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.196 1.212 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.022 1.379 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.556 2.279 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.113 1.025 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.725 2.138 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.021 1.115 5.515 1.00 0.00 H new ATOM 582 N PRO A 37 1.329 0.952 6.444 1.00 0.00 N ATOM 583 CA PRO A 37 -0.056 0.716 6.848 1.00 0.00 C ATOM 584 C PRO A 37 -0.971 0.457 5.656 1.00 0.00 C ATOM 585 O PRO A 37 -0.817 1.064 4.596 1.00 0.00 O ATOM 586 CB PRO A 37 -0.435 2.021 7.541 1.00 0.00 C ATOM 587 CG PRO A 37 0.378 3.062 6.848 1.00 0.00 C ATOM 588 CD PRO A 37 1.660 2.389 6.421 1.00 0.00 C ATOM 0 HA PRO A 37 -0.159 -0.168 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.502 2.224 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.209 1.985 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.156 3.462 5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.583 3.901 7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.969 2.712 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.479 2.621 7.101 1.00 0.00 H new ATOM 596 N PRO A 38 -1.942 -0.454 5.819 1.00 0.00 N ATOM 597 CA PRO A 38 -2.893 -0.801 4.758 1.00 0.00 C ATOM 598 C PRO A 38 -3.695 0.405 4.282 1.00 0.00 C ATOM 599 O PRO A 38 -4.216 0.417 3.167 1.00 0.00 O ATOM 600 CB PRO A 38 -3.817 -1.834 5.415 1.00 0.00 C ATOM 601 CG PRO A 38 -3.610 -1.671 6.883 1.00 0.00 C ATOM 602 CD PRO A 38 -2.190 -1.215 7.051 1.00 0.00 C ATOM 0 HA PRO A 38 -2.385 -1.176 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.858 -1.660 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.568 -2.845 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.306 -0.941 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.783 -2.610 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.067 -0.596 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.505 -2.057 7.151 1.00 0.00 H new ATOM 610 N ASP A 39 -3.789 1.421 5.135 1.00 0.00 N ATOM 611 CA ASP A 39 -4.528 2.633 4.800 1.00 0.00 C ATOM 612 C ASP A 39 -3.809 3.430 3.716 1.00 0.00 C ATOM 613 O ASP A 39 -4.446 4.032 2.851 1.00 0.00 O ATOM 614 CB ASP A 39 -4.717 3.501 6.045 1.00 0.00 C ATOM 615 CG ASP A 39 -5.501 4.766 5.755 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.749 4.708 5.771 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.867 5.814 5.511 1.00 0.00 O ATOM 0 H ASP A 39 -3.363 1.429 6.062 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.505 2.337 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.234 2.924 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.741 3.767 6.451 1.00 0.00 H new ATOM 622 N GLN A 40 -2.481 3.432 3.769 1.00 0.00 N ATOM 623 CA GLN A 40 -1.679 4.157 2.790 1.00 0.00 C ATOM 624 C GLN A 40 -1.089 3.207 1.752 1.00 0.00 C ATOM 625 O GLN A 40 -0.330 3.625 0.876 1.00 0.00 O ATOM 626 CB GLN A 40 -0.556 4.926 3.488 1.00 0.00 C ATOM 627 CG GLN A 40 -1.021 5.709 4.705 1.00 0.00 C ATOM 628 CD GLN A 40 -0.316 7.045 4.841 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.273 7.551 3.885 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.371 7.624 6.035 1.00 0.00 N ATOM 0 H GLN A 40 -1.938 2.940 4.479 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.333 4.863 2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.219 4.223 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.101 5.614 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.096 5.875 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.846 5.116 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.870 7.170 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.086 8.523 6.187 1.00 0.00 H new ATOM 639 N GLN A 41 -1.436 1.928 1.855 1.00 0.00 N ATOM 640 CA GLN A 41 -0.934 0.924 0.924 1.00 0.00 C ATOM 641 C GLN A 41 -1.880 0.748 -0.260 1.00 0.00 C ATOM 642 O GLN A 41 -3.086 0.572 -0.084 1.00 0.00 O ATOM 643 CB GLN A 41 -0.742 -0.413 1.640 1.00 0.00 C ATOM 644 CG GLN A 41 0.688 -0.666 2.084 1.00 0.00 C ATOM 645 CD GLN A 41 0.931 -2.111 2.472 1.00 0.00 C ATOM 646 OE1 GLN A 41 1.222 -2.953 1.623 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.812 -2.405 3.761 1.00 0.00 N ATOM 0 H GLN A 41 -2.062 1.563 2.573 1.00 0.00 H new ATOM 0 HA GLN A 41 0.028 1.270 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.395 -0.446 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.055 -1.219 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.369 -0.391 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.921 -0.022 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.569 -1.675 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.964 -3.361 4.082 1.00 0.00 H new ATOM 656 N ARG A 42 -1.322 0.792 -1.465 1.00 0.00 N ATOM 657 CA ARG A 42 -2.110 0.633 -2.682 1.00 0.00 C ATOM 658 C ARG A 42 -1.489 -0.423 -3.592 1.00 0.00 C ATOM 659 O ARG A 42 -0.511 -0.157 -4.289 1.00 0.00 O ATOM 660 CB ARG A 42 -2.216 1.966 -3.426 1.00 0.00 C ATOM 661 CG ARG A 42 -3.603 2.244 -3.983 1.00 0.00 C ATOM 662 CD ARG A 42 -3.533 2.869 -5.367 1.00 0.00 C ATOM 663 NE ARG A 42 -4.849 2.962 -5.993 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.055 3.479 -7.200 1.00 0.00 C ATOM 665 NH1 ARG A 42 -4.035 3.951 -7.904 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.280 3.526 -7.702 1.00 0.00 N ATOM 0 H ARG A 42 -0.325 0.937 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.110 0.305 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.937 2.773 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.497 1.974 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.170 1.314 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.140 2.911 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.096 3.865 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.872 2.276 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.655 2.611 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.091 3.918 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.195 4.347 -8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.067 3.165 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.437 3.923 -8.628 1.00 0.00 H new ATOM 680 N LEU A 43 -2.061 -1.622 -3.576 1.00 0.00 N ATOM 681 CA LEU A 43 -1.558 -2.717 -4.396 1.00 0.00 C ATOM 682 C LEU A 43 -2.225 -2.728 -5.768 1.00 0.00 C ATOM 683 O LEU A 43 -3.442 -2.877 -5.876 1.00 0.00 O ATOM 684 CB LEU A 43 -1.789 -4.057 -3.694 1.00 0.00 C ATOM 685 CG LEU A 43 -1.388 -4.090 -2.217 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.970 -5.318 -1.535 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.126 -4.066 -2.076 1.00 0.00 C ATOM 0 H LEU A 43 -2.872 -1.860 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.488 -2.566 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.845 -4.315 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.231 -4.829 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.792 -3.203 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.675 -5.326 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.057 -5.293 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.595 -6.217 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.393 -4.090 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.552 -4.935 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.519 -3.156 -2.529 1.00 0.00 H new ATOM 699 N ILE A 44 -1.418 -2.573 -6.813 1.00 0.00 N ATOM 700 CA ILE A 44 -1.927 -2.567 -8.179 1.00 0.00 C ATOM 701 C ILE A 44 -1.574 -3.863 -8.900 1.00 0.00 C ATOM 702 O ILE A 44 -0.401 -4.214 -9.026 1.00 0.00 O ATOM 703 CB ILE A 44 -1.368 -1.378 -8.982 1.00 0.00 C ATOM 704 CG1 ILE A 44 -1.605 -0.068 -8.230 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.004 -1.327 -10.363 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.069 0.243 -8.002 1.00 0.00 C ATOM 0 H ILE A 44 -0.408 -2.450 -6.739 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.011 -2.473 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.293 -1.514 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.098 -0.115 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.151 0.750 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.599 -0.481 -10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.786 -2.251 -10.898 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.083 -1.212 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.161 1.186 -7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.578 0.323 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.524 -0.556 -7.416 1.00 0.00 H new ATOM 718 N PHE A 45 -2.595 -4.572 -9.368 1.00 0.00 N ATOM 719 CA PHE A 45 -2.390 -5.830 -10.076 1.00 0.00 C ATOM 720 C PHE A 45 -3.159 -5.848 -11.393 1.00 0.00 C ATOM 721 O PHE A 45 -4.387 -5.923 -11.406 1.00 0.00 O ATOM 722 CB PHE A 45 -2.830 -7.007 -9.201 1.00 0.00 C ATOM 723 CG PHE A 45 -2.236 -8.321 -9.620 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.865 -8.447 -9.818 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.046 -9.433 -9.817 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.314 -9.659 -10.205 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.502 -10.648 -10.204 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.134 -10.760 -10.398 1.00 0.00 C ATOM 0 H PHE A 45 -3.572 -4.297 -9.270 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.327 -5.924 -10.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.551 -6.805 -8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.917 -7.083 -9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.223 -7.592 -9.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.112 -9.350 -9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.752 -9.745 -10.356 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.142 -11.505 -10.354 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.707 -11.705 -10.700 1.00 0.00 H new ATOM 738 N ALA A 46 -2.426 -5.778 -12.499 1.00 0.00 N ATOM 739 CA ALA A 46 -3.038 -5.787 -13.822 1.00 0.00 C ATOM 740 C ALA A 46 -4.123 -4.722 -13.934 1.00 0.00 C ATOM 741 O ALA A 46 -5.287 -5.030 -14.188 1.00 0.00 O ATOM 742 CB ALA A 46 -3.613 -7.162 -14.127 1.00 0.00 C ATOM 0 H ALA A 46 -1.408 -5.714 -12.505 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.264 -5.557 -14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.067 -7.155 -15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.815 -7.904 -14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.369 -7.413 -13.383 1.00 0.00 H new ATOM 748 N GLY A 47 -3.733 -3.465 -13.743 1.00 0.00 N ATOM 749 CA GLY A 47 -4.684 -2.373 -13.827 1.00 0.00 C ATOM 750 C GLY A 47 -5.863 -2.552 -12.890 1.00 0.00 C ATOM 751 O GLY A 47 -6.905 -1.920 -13.066 1.00 0.00 O ATOM 0 H GLY A 47 -2.775 -3.184 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.178 -1.437 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.048 -2.291 -14.851 1.00 0.00 H new ATOM 755 N LYS A 48 -5.699 -3.413 -11.891 1.00 0.00 N ATOM 756 CA LYS A 48 -6.759 -3.671 -10.924 1.00 0.00 C ATOM 757 C LYS A 48 -6.253 -3.478 -9.497 1.00 0.00 C ATOM 758 O LYS A 48 -5.222 -4.031 -9.115 1.00 0.00 O ATOM 759 CB LYS A 48 -7.304 -5.089 -11.095 1.00 0.00 C ATOM 760 CG LYS A 48 -8.242 -5.241 -12.282 1.00 0.00 C ATOM 761 CD LYS A 48 -9.134 -6.462 -12.134 1.00 0.00 C ATOM 762 CE LYS A 48 -9.819 -6.813 -13.444 1.00 0.00 C ATOM 763 NZ LYS A 48 -9.385 -8.142 -13.958 1.00 0.00 N ATOM 0 H LYS A 48 -4.843 -3.943 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.562 -2.957 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.468 -5.779 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.831 -5.379 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.859 -4.347 -12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.659 -5.324 -13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.539 -7.310 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.886 -6.274 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.899 -6.814 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.597 -6.046 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.875 -8.345 -14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.358 -8.133 -14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.619 -8.877 -13.261 1.00 0.00 H new ATOM 777 N GLN A 49 -6.986 -2.693 -8.716 1.00 0.00 N ATOM 778 CA GLN A 49 -6.610 -2.427 -7.332 1.00 0.00 C ATOM 779 C GLN A 49 -7.161 -3.505 -6.403 1.00 0.00 C ATOM 780 O GLN A 49 -8.360 -3.787 -6.404 1.00 0.00 O ATOM 781 CB GLN A 49 -7.121 -1.053 -6.896 1.00 0.00 C ATOM 782 CG GLN A 49 -6.115 -0.264 -6.075 1.00 0.00 C ATOM 783 CD GLN A 49 -6.121 -0.657 -4.611 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.176 -0.724 -3.978 1.00 0.00 O ATOM 785 NE2 GLN A 49 -4.940 -0.920 -4.064 1.00 0.00 N ATOM 0 H GLN A 49 -7.843 -2.230 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.522 -2.438 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.388 -0.476 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.033 -1.182 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.117 -0.418 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.335 0.800 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.091 -0.852 -4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.882 -1.190 -3.082 1.00 0.00 H new ATOM 794 N LEU A 50 -6.278 -4.103 -5.610 1.00 0.00 N ATOM 795 CA LEU A 50 -6.677 -5.149 -4.675 1.00 0.00 C ATOM 796 C LEU A 50 -7.559 -4.583 -3.568 1.00 0.00 C ATOM 797 O LEU A 50 -7.222 -3.578 -2.943 1.00 0.00 O ATOM 798 CB LEU A 50 -5.441 -5.816 -4.067 1.00 0.00 C ATOM 799 CG LEU A 50 -4.396 -6.289 -5.078 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.406 -7.235 -4.418 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.070 -6.961 -6.265 1.00 0.00 C ATOM 0 H LEU A 50 -5.282 -3.882 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.251 -5.894 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.968 -5.113 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.764 -6.672 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.848 -5.419 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.670 -7.561 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.900 -6.720 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.937 -8.103 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.312 -7.292 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.643 -7.821 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.739 -6.252 -6.753 1.00 0.00 H new ATOM 813 N GLU A 51 -8.693 -5.236 -3.332 1.00 0.00 N ATOM 814 CA GLU A 51 -9.626 -4.799 -2.301 1.00 0.00 C ATOM 815 C GLU A 51 -9.401 -5.569 -1.003 1.00 0.00 C ATOM 816 O GLU A 51 -9.299 -6.796 -1.007 1.00 0.00 O ATOM 817 CB GLU A 51 -11.068 -4.986 -2.775 1.00 0.00 C ATOM 818 CG GLU A 51 -11.336 -4.399 -4.151 1.00 0.00 C ATOM 819 CD GLU A 51 -11.497 -2.892 -4.122 1.00 0.00 C ATOM 820 OE1 GLU A 51 -11.124 -2.275 -3.102 1.00 0.00 O ATOM 821 OE2 GLU A 51 -11.994 -2.328 -5.119 1.00 0.00 O ATOM 0 H GLU A 51 -8.987 -6.069 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.449 -3.741 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.301 -6.051 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.742 -4.523 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.515 -4.660 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.239 -4.849 -4.564 1.00 0.00 H new ATOM 828 N ASP A 52 -9.324 -4.841 0.107 1.00 0.00 N ATOM 829 CA ASP A 52 -9.109 -5.456 1.411 1.00 0.00 C ATOM 830 C ASP A 52 -10.275 -6.365 1.785 1.00 0.00 C ATOM 831 O ASP A 52 -11.269 -5.915 2.355 1.00 0.00 O ATOM 832 CB ASP A 52 -8.927 -4.378 2.482 1.00 0.00 C ATOM 833 CG ASP A 52 -7.643 -4.555 3.269 1.00 0.00 C ATOM 834 OD1 ASP A 52 -6.949 -5.569 3.051 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.333 -3.679 4.104 1.00 0.00 O ATOM 0 H ASP A 52 -9.407 -3.825 0.129 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.204 -6.061 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.927 -3.396 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.775 -4.403 3.166 1.00 0.00 H new ATOM 840 N GLY A 53 -10.147 -7.648 1.459 1.00 0.00 N ATOM 841 CA GLY A 53 -11.198 -8.600 1.769 1.00 0.00 C ATOM 842 C GLY A 53 -11.281 -9.723 0.754 1.00 0.00 C ATOM 843 O GLY A 53 -11.916 -10.748 1.003 1.00 0.00 O ATOM 0 H GLY A 53 -9.335 -8.045 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.022 -9.021 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.155 -8.080 1.810 1.00 0.00 H new ATOM 847 N ARG A 54 -10.640 -9.531 -0.394 1.00 0.00 N ATOM 848 CA ARG A 54 -10.644 -10.537 -1.449 1.00 0.00 C ATOM 849 C ARG A 54 -9.446 -11.470 -1.315 1.00 0.00 C ATOM 850 O ARG A 54 -8.448 -11.127 -0.682 1.00 0.00 O ATOM 851 CB ARG A 54 -10.632 -9.864 -2.823 1.00 0.00 C ATOM 852 CG ARG A 54 -11.449 -8.582 -2.880 1.00 0.00 C ATOM 853 CD ARG A 54 -12.824 -8.823 -3.483 1.00 0.00 C ATOM 854 NE ARG A 54 -12.761 -9.027 -4.927 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.833 -9.124 -5.706 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.047 -9.034 -5.179 1.00 0.00 N ATOM 857 NH2 ARG A 54 -13.694 -9.310 -7.011 1.00 0.00 N ATOM 0 H ARG A 54 -10.111 -8.688 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.554 -11.129 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.602 -9.641 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.017 -10.564 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.558 -8.174 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.917 -7.836 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.278 -9.696 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.469 -7.972 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.842 -9.099 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.158 -8.890 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.870 -9.109 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.762 -9.379 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.519 -9.384 -7.606 1.00 0.00 H new ATOM 871 N THR A 55 -9.553 -12.653 -1.912 1.00 0.00 N ATOM 872 CA THR A 55 -8.477 -13.637 -1.856 1.00 0.00 C ATOM 873 C THR A 55 -7.590 -13.546 -3.094 1.00 0.00 C ATOM 874 O THR A 55 -8.073 -13.309 -4.201 1.00 0.00 O ATOM 875 CB THR A 55 -9.055 -15.048 -1.731 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.963 -15.313 -2.786 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.786 -15.281 -0.427 1.00 0.00 C ATOM 0 H THR A 55 -10.373 -12.953 -2.440 1.00 0.00 H new ATOM 0 HA THR A 55 -7.867 -13.422 -0.979 1.00 0.00 H new ATOM 0 HB THR A 55 -8.196 -15.717 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.777 -14.783 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.171 -16.300 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.100 -15.132 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.615 -14.578 -0.344 1.00 0.00 H new ATOM 885 N LEU A 56 -6.289 -13.736 -2.897 1.00 0.00 N ATOM 886 CA LEU A 56 -5.333 -13.676 -3.996 1.00 0.00 C ATOM 887 C LEU A 56 -5.826 -14.482 -5.194 1.00 0.00 C ATOM 888 O LEU A 56 -5.651 -14.075 -6.343 1.00 0.00 O ATOM 889 CB LEU A 56 -3.969 -14.199 -3.543 1.00 0.00 C ATOM 890 CG LEU A 56 -3.271 -13.350 -2.477 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.776 -13.627 -2.469 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.540 -11.871 -2.716 1.00 0.00 C ATOM 0 H LEU A 56 -5.873 -13.933 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.233 -12.634 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.095 -15.210 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.317 -14.270 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.675 -13.620 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.297 -13.015 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.602 -14.681 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.356 -13.384 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.037 -11.281 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.163 -11.587 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.613 -11.684 -2.671 1.00 0.00 H new ATOM 904 N SER A 57 -6.445 -15.626 -4.918 1.00 0.00 N ATOM 905 CA SER A 57 -6.963 -16.488 -5.975 1.00 0.00 C ATOM 906 C SER A 57 -8.014 -15.757 -6.804 1.00 0.00 C ATOM 907 O SER A 57 -8.146 -15.994 -8.005 1.00 0.00 O ATOM 908 CB SER A 57 -7.561 -17.762 -5.375 1.00 0.00 C ATOM 909 OG SER A 57 -8.942 -17.870 -5.675 1.00 0.00 O ATOM 0 H SER A 57 -6.600 -15.977 -3.973 1.00 0.00 H new ATOM 0 HA SER A 57 -6.135 -16.759 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.033 -18.633 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.420 -17.759 -4.294 1.00 0.00 H new ATOM 0 HG SER A 57 -9.299 -18.694 -5.281 1.00 0.00 H new ATOM 915 N ASP A 58 -8.759 -14.867 -6.156 1.00 0.00 N ATOM 916 CA ASP A 58 -9.799 -14.102 -6.834 1.00 0.00 C ATOM 917 C ASP A 58 -9.204 -13.250 -7.950 1.00 0.00 C ATOM 918 O ASP A 58 -9.907 -12.845 -8.878 1.00 0.00 O ATOM 919 CB ASP A 58 -10.539 -13.210 -5.835 1.00 0.00 C ATOM 920 CG ASP A 58 -11.419 -14.006 -4.892 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.010 -15.012 -5.338 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.519 -13.624 -3.707 1.00 0.00 O ATOM 0 H ASP A 58 -8.662 -14.658 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.506 -14.806 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.814 -12.638 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.151 -12.490 -6.379 1.00 0.00 H new ATOM 927 N TYR A 59 -7.906 -12.980 -7.855 1.00 0.00 N ATOM 928 CA TYR A 59 -7.216 -12.176 -8.857 1.00 0.00 C ATOM 929 C TYR A 59 -6.371 -13.055 -9.774 1.00 0.00 C ATOM 930 O TYR A 59 -5.391 -12.595 -10.359 1.00 0.00 O ATOM 931 CB TYR A 59 -6.332 -11.127 -8.180 1.00 0.00 C ATOM 932 CG TYR A 59 -7.110 -10.011 -7.522 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.723 -9.020 -8.288 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.234 -9.945 -6.136 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.438 -7.994 -7.689 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.947 -8.922 -5.529 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.546 -7.950 -6.310 1.00 0.00 C ATOM 938 OH TYR A 59 -9.255 -6.933 -5.713 1.00 0.00 O ATOM 0 H TYR A 59 -7.311 -13.306 -7.094 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.969 -11.671 -9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.711 -11.617 -7.430 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.657 -10.700 -8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.640 -9.052 -9.364 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.767 -10.703 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.908 -7.234 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.034 -8.884 -4.453 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.148 -7.255 -5.471 1.00 0.00 H new ATOM 948 N ASN A 60 -6.757 -14.321 -9.892 1.00 0.00 N ATOM 949 CA ASN A 60 -6.033 -15.264 -10.738 1.00 0.00 C ATOM 950 C ASN A 60 -4.527 -15.129 -10.537 1.00 0.00 C ATOM 951 O ASN A 60 -3.754 -15.204 -11.493 1.00 0.00 O ATOM 952 CB ASN A 60 -6.386 -15.034 -12.209 1.00 0.00 C ATOM 953 CG ASN A 60 -6.383 -13.564 -12.580 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.372 -12.858 -12.378 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.268 -13.093 -13.126 1.00 0.00 N ATOM 0 H ASN A 60 -7.566 -14.718 -9.413 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.330 -16.273 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.673 -15.566 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.370 -15.456 -12.414 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.208 -12.111 -13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.472 -13.713 -13.276 1.00 0.00 H new ATOM 962 N LEU A 61 -4.117 -14.929 -9.289 1.00 0.00 N ATOM 963 CA LEU A 61 -2.704 -14.783 -8.963 1.00 0.00 C ATOM 964 C LEU A 61 -1.972 -16.113 -9.108 1.00 0.00 C ATOM 965 O LEU A 61 -2.583 -17.179 -9.033 1.00 0.00 O ATOM 966 CB LEU A 61 -2.539 -14.249 -7.539 1.00 0.00 C ATOM 967 CG LEU A 61 -2.502 -12.724 -7.420 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.759 -12.294 -5.984 1.00 0.00 C ATOM 969 CD2 LEU A 61 -1.167 -12.184 -7.910 1.00 0.00 C ATOM 0 H LEU A 61 -4.744 -14.864 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.268 -14.070 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.359 -14.626 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.618 -14.653 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.291 -12.310 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.729 -11.206 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.740 -12.649 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.993 -12.718 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.158 -11.098 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.361 -12.606 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.024 -12.461 -8.954 1.00 0.00 H new ATOM 981 N GLN A 62 -0.662 -16.041 -9.316 1.00 0.00 N ATOM 982 CA GLN A 62 0.154 -17.241 -9.471 1.00 0.00 C ATOM 983 C GLN A 62 1.527 -17.053 -8.838 1.00 0.00 C ATOM 984 O GLN A 62 2.058 -15.942 -8.799 1.00 0.00 O ATOM 985 CB GLN A 62 0.305 -17.591 -10.952 1.00 0.00 C ATOM 986 CG GLN A 62 -0.986 -17.459 -11.743 1.00 0.00 C ATOM 987 CD GLN A 62 -0.756 -17.479 -13.242 1.00 0.00 C ATOM 988 OE1 GLN A 62 -1.387 -16.732 -13.989 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.152 -18.340 -13.689 1.00 0.00 N ATOM 0 H GLN A 62 -0.142 -15.166 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.350 -18.061 -8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.061 -16.942 -11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.672 -18.614 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.659 -18.272 -11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.483 -16.529 -11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.652 -18.941 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.349 -18.400 -14.688 1.00 0.00 H new ATOM 998 N LYS A 63 2.098 -18.146 -8.343 1.00 0.00 N ATOM 999 CA LYS A 63 3.412 -18.104 -7.710 1.00 0.00 C ATOM 1000 C LYS A 63 4.376 -17.237 -8.513 1.00 0.00 C ATOM 1001 O LYS A 63 4.453 -17.346 -9.736 1.00 0.00 O ATOM 1002 CB LYS A 63 3.977 -19.518 -7.570 1.00 0.00 C ATOM 1003 CG LYS A 63 3.963 -20.311 -8.867 1.00 0.00 C ATOM 1004 CD LYS A 63 3.084 -21.545 -8.758 1.00 0.00 C ATOM 1005 CE LYS A 63 1.734 -21.330 -9.424 1.00 0.00 C ATOM 1006 NZ LYS A 63 1.201 -22.587 -10.018 1.00 0.00 N ATOM 0 H LYS A 63 1.672 -19.072 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 63 3.297 -17.665 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.001 -19.456 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.401 -20.057 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.603 -19.678 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.980 -20.609 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.588 -22.394 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.937 -21.796 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.025 -20.946 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.830 -20.573 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.280 -22.398 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.865 -22.941 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.085 -23.302 -9.272 1.00 0.00 H new ATOM 1020 N GLU A 64 5.111 -16.376 -7.815 1.00 0.00 N ATOM 1021 CA GLU A 64 6.072 -15.491 -8.462 1.00 0.00 C ATOM 1022 C GLU A 64 5.361 -14.412 -9.272 1.00 0.00 C ATOM 1023 O GLU A 64 5.215 -14.529 -10.488 1.00 0.00 O ATOM 1024 CB GLU A 64 7.006 -16.293 -9.370 1.00 0.00 C ATOM 1025 CG GLU A 64 7.405 -17.641 -8.792 1.00 0.00 C ATOM 1026 CD GLU A 64 8.892 -17.911 -8.918 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.671 -17.319 -8.142 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.278 -18.715 -9.793 1.00 0.00 O ATOM 0 H GLU A 64 5.059 -16.273 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 64 6.661 -15.006 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.518 -16.449 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.906 -15.708 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.120 -17.680 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.852 -18.429 -9.302 1.00 0.00 H new ATOM 1035 N SER A 65 4.920 -13.360 -8.589 1.00 0.00 N ATOM 1036 CA SER A 65 4.225 -12.260 -9.245 1.00 0.00 C ATOM 1037 C SER A 65 4.908 -10.930 -8.945 1.00 0.00 C ATOM 1038 O SER A 65 5.702 -10.826 -8.009 1.00 0.00 O ATOM 1039 CB SER A 65 2.764 -12.209 -8.792 1.00 0.00 C ATOM 1040 OG SER A 65 2.222 -13.513 -8.672 1.00 0.00 O ATOM 0 H SER A 65 5.032 -13.247 -7.581 1.00 0.00 H new ATOM 0 HA SER A 65 4.259 -12.432 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.695 -11.693 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.178 -11.632 -9.508 1.00 0.00 H new ATOM 0 HG SER A 65 2.706 -14.124 -9.266 1.00 0.00 H new ATOM 1046 N THR A 66 4.597 -9.915 -9.745 1.00 0.00 N ATOM 1047 CA THR A 66 5.182 -8.591 -9.563 1.00 0.00 C ATOM 1048 C THR A 66 4.100 -7.546 -9.312 1.00 0.00 C ATOM 1049 O THR A 66 3.532 -6.987 -10.250 1.00 0.00 O ATOM 1050 CB THR A 66 6.007 -8.204 -10.792 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.804 -9.292 -11.225 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.928 -7.028 -10.549 1.00 0.00 C ATOM 0 H THR A 66 3.944 -9.984 -10.525 1.00 0.00 H new ATOM 0 HA THR A 66 5.835 -8.626 -8.691 1.00 0.00 H new ATOM 0 HB THR A 66 5.278 -7.922 -11.552 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.322 -9.025 -12.013 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.483 -6.806 -11.460 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.338 -6.157 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.627 -7.272 -9.749 1.00 0.00 H new ATOM 1060 N ILE A 67 3.820 -7.288 -8.038 1.00 0.00 N ATOM 1061 CA ILE A 67 2.806 -6.310 -7.663 1.00 0.00 C ATOM 1062 C ILE A 67 3.441 -4.975 -7.287 1.00 0.00 C ATOM 1063 O ILE A 67 4.444 -4.931 -6.574 1.00 0.00 O ATOM 1064 CB ILE A 67 1.954 -6.810 -6.481 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.300 -8.149 -6.824 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.899 -5.777 -6.113 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.711 -9.276 -5.903 1.00 0.00 C ATOM 0 H ILE A 67 4.281 -7.742 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 67 2.164 -6.172 -8.533 1.00 0.00 H new ATOM 0 HB ILE A 67 2.606 -6.957 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.217 -8.035 -6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.556 -8.417 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.305 -6.145 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.386 -4.844 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.248 -5.600 -6.969 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.209 -10.195 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.790 -9.417 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.431 -9.030 -4.879 1.00 0.00 H new ATOM 1079 N HIS A 68 2.848 -3.887 -7.770 1.00 0.00 N ATOM 1080 CA HIS A 68 3.355 -2.550 -7.484 1.00 0.00 C ATOM 1081 C HIS A 68 2.606 -1.925 -6.312 1.00 0.00 C ATOM 1082 O HIS A 68 1.382 -2.030 -6.218 1.00 0.00 O ATOM 1083 CB HIS A 68 3.228 -1.659 -8.721 1.00 0.00 C ATOM 1084 CG HIS A 68 4.066 -2.114 -9.875 1.00 0.00 C ATOM 1085 ND1 HIS A 68 4.823 -1.253 -10.642 1.00 0.00 N ATOM 1086 CD2 HIS A 68 4.267 -3.350 -10.391 1.00 0.00 C ATOM 1087 CE1 HIS A 68 5.450 -1.939 -11.580 1.00 0.00 C ATOM 1088 NE2 HIS A 68 5.130 -3.213 -11.450 1.00 0.00 N ATOM 0 H HIS A 68 2.017 -3.906 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 68 4.408 -2.636 -7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.183 -1.628 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.512 -0.641 -8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.830 -4.271 -10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.112 -1.527 -12.327 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.469 -3.972 -12.041 1.00 0.00 H new ATOM 1097 N LEU A 69 3.348 -1.279 -5.419 1.00 0.00 N ATOM 1098 CA LEU A 69 2.754 -0.639 -4.251 1.00 0.00 C ATOM 1099 C LEU A 69 2.776 0.877 -4.385 1.00 0.00 C ATOM 1100 O LEU A 69 3.834 1.482 -4.563 1.00 0.00 O ATOM 1101 CB LEU A 69 3.492 -1.060 -2.980 1.00 0.00 C ATOM 1102 CG LEU A 69 2.669 -0.967 -1.693 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.027 -2.104 -0.748 1.00 0.00 C ATOM 1104 CD2 LEU A 69 2.886 0.380 -1.019 1.00 0.00 C ATOM 0 H LEU A 69 4.362 -1.185 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 69 1.715 -0.963 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.835 -2.088 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.381 -0.438 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 69 1.614 -1.056 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.432 -2.022 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.820 -3.058 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.086 -2.048 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.293 0.429 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.941 0.498 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.579 1.178 -1.694 1.00 0.00 H new ATOM 1116 N VAL A 70 1.598 1.486 -4.297 1.00 0.00 N ATOM 1117 CA VAL A 70 1.476 2.933 -4.402 1.00 0.00 C ATOM 1118 C VAL A 70 0.918 3.525 -3.115 1.00 0.00 C ATOM 1119 O VAL A 70 0.116 2.896 -2.425 1.00 0.00 O ATOM 1120 CB VAL A 70 0.567 3.347 -5.577 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.180 4.512 -6.340 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.309 2.170 -6.508 1.00 0.00 C ATOM 0 H VAL A 70 0.714 0.998 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 70 2.479 3.320 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.391 3.668 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.525 4.791 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.301 5.363 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.154 4.218 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.335 2.489 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.256 1.809 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.179 1.368 -5.954 1.00 0.00 H new ATOM 1132 N LEU A 71 1.348 4.738 -2.799 1.00 0.00 N ATOM 1133 CA LEU A 71 0.894 5.422 -1.593 1.00 0.00 C ATOM 1134 C LEU A 71 -0.587 5.775 -1.692 1.00 0.00 C ATOM 1135 O LEU A 71 -1.136 5.887 -2.788 1.00 0.00 O ATOM 1136 CB LEU A 71 1.719 6.690 -1.361 1.00 0.00 C ATOM 1137 CG LEU A 71 3.112 6.457 -0.771 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.013 6.118 0.709 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.831 5.352 -1.527 1.00 0.00 C ATOM 0 H LEU A 71 2.012 5.271 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 71 1.032 4.747 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.826 7.214 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.164 7.349 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 71 3.690 7.375 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.012 5.955 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.537 6.942 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.419 5.213 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.820 5.199 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.257 4.428 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.933 5.635 -2.575 1.00 0.00 H new