USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 679 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 26 HIS : no HE2:sc= -16.9! C(o=-23!,f=-26!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -6.11! C(o=-23!,f=-25!) USER MOD Set 2.1: A 12 MET CE :methyl 158:sc= -1.29 (180deg=-4.38!) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.208 K(o=-1.5,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.152 (180deg=-0.819) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0684) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -151:sc= 0.0976 USER MOD Single : A 15 TYR OH : rot 177:sc= -2.05 USER MOD Single : A 21 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 22 SER OG : rot 86:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.343 (180deg=-0.951) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.0924 (180deg=-0.73) USER MOD Single : A 34 SER OG : rot 180:sc= -0.123 USER MOD Single : A 36 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 38 SER OG : rot -49:sc= 0.698 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.169 (180deg=-0.88) USER MOD Single : A 44 CYS SG : rot 124:sc= -6.09! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -172:sc= -0.229 (180deg=-0.404) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= -3.46 (180deg=-3.63) USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= -0.36 (180deg=-1.36!) USER MOD Single : A 62 MET CE :methyl 177:sc= -1.48 (180deg=-1.55) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 MET CE :methyl 142:sc= -0.279 (180deg=-2.32!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -39:sc= 0.945 USER MOD Single : A 77 TYR OH : rot -122:sc= 1.17 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.060 -24.638 6.168 1.00 0.00 N ATOM 2 CA GLY A 1 -6.276 -25.440 7.406 1.00 0.00 C ATOM 3 C GLY A 1 -7.503 -24.916 8.156 1.00 0.00 C ATOM 4 O GLY A 1 -8.567 -24.771 7.587 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.226 -24.998 5.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.896 -24.715 5.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.907 -23.641 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.416 -26.490 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.395 -25.382 8.046 1.00 0.00 H new ATOM 10 N LYS A 2 -7.330 -24.641 9.423 1.00 0.00 N ATOM 11 CA LYS A 2 -8.475 -24.128 10.216 1.00 0.00 C ATOM 12 C LYS A 2 -8.786 -22.684 9.848 1.00 0.00 C ATOM 13 O LYS A 2 -8.571 -22.265 8.728 1.00 0.00 O ATOM 14 CB LYS A 2 -8.100 -24.181 11.708 1.00 0.00 C ATOM 15 CG LYS A 2 -7.587 -25.589 12.061 1.00 0.00 C ATOM 16 CD LYS A 2 -7.709 -25.811 13.576 1.00 0.00 C ATOM 17 CE LYS A 2 -6.807 -24.813 14.311 1.00 0.00 C ATOM 18 NZ LYS A 2 -5.429 -24.833 13.739 1.00 0.00 N ATOM 0 H LYS A 2 -6.454 -24.749 9.934 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.351 -24.742 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.333 -23.438 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.967 -23.935 12.320 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.163 -26.343 11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.548 -25.699 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.745 -25.683 13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.423 -26.832 13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.225 -23.810 14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.770 -25.060 15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.764 -24.416 14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.150 -25.815 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.411 -24.282 12.857 1.00 0.00 H new ATOM 32 N GLY A 3 -9.289 -21.945 10.801 1.00 0.00 N ATOM 33 CA GLY A 3 -9.621 -20.522 10.525 1.00 0.00 C ATOM 34 C GLY A 3 -10.882 -20.424 9.667 1.00 0.00 C ATOM 35 O GLY A 3 -11.750 -21.270 9.738 1.00 0.00 O ATOM 0 H GLY A 3 -9.482 -22.264 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.770 -19.988 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.788 -20.040 10.014 1.00 0.00 H new ATOM 39 N ASP A 4 -10.948 -19.384 8.873 1.00 0.00 N ATOM 40 CA ASP A 4 -12.130 -19.186 7.990 1.00 0.00 C ATOM 41 C ASP A 4 -11.747 -18.319 6.782 1.00 0.00 C ATOM 42 O ASP A 4 -12.087 -17.156 6.727 1.00 0.00 O ATOM 43 CB ASP A 4 -13.209 -18.444 8.800 1.00 0.00 C ATOM 44 CG ASP A 4 -13.802 -19.395 9.842 1.00 0.00 C ATOM 45 OD1 ASP A 4 -14.443 -20.338 9.410 1.00 0.00 O ATOM 46 OD2 ASP A 4 -13.578 -19.124 11.009 1.00 0.00 O ATOM 0 H ASP A 4 -10.230 -18.663 8.801 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.492 -20.152 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.776 -17.572 9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.993 -18.080 8.136 1.00 0.00 H new ATOM 51 N PRO A 5 -11.033 -18.907 5.822 1.00 0.00 N ATOM 52 CA PRO A 5 -10.615 -18.168 4.630 1.00 0.00 C ATOM 53 C PRO A 5 -11.810 -17.552 3.898 1.00 0.00 C ATOM 54 O PRO A 5 -11.641 -16.753 3.000 1.00 0.00 O ATOM 55 CB PRO A 5 -9.888 -19.222 3.735 1.00 0.00 C ATOM 56 CG PRO A 5 -9.752 -20.529 4.588 1.00 0.00 C ATOM 57 CD PRO A 5 -10.605 -20.326 5.868 1.00 0.00 C ATOM 0 HA PRO A 5 -9.967 -17.330 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.456 -19.413 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.908 -18.857 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.101 -21.395 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.709 -20.715 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.464 -20.997 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.024 -20.534 6.767 1.00 0.00 H new ATOM 65 N LYS A 6 -12.988 -17.935 4.290 1.00 0.00 N ATOM 66 CA LYS A 6 -14.183 -17.373 3.621 1.00 0.00 C ATOM 67 C LYS A 6 -14.288 -15.886 3.907 1.00 0.00 C ATOM 68 O LYS A 6 -15.055 -15.177 3.285 1.00 0.00 O ATOM 69 CB LYS A 6 -15.434 -18.077 4.170 1.00 0.00 C ATOM 70 CG LYS A 6 -15.199 -19.592 4.177 1.00 0.00 C ATOM 71 CD LYS A 6 -14.785 -20.052 2.766 1.00 0.00 C ATOM 72 CE LYS A 6 -15.010 -21.564 2.636 1.00 0.00 C ATOM 73 NZ LYS A 6 -14.262 -22.104 1.468 1.00 0.00 N ATOM 0 H LYS A 6 -13.173 -18.605 5.036 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.101 -17.526 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.650 -17.726 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.301 -17.834 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.422 -19.847 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.106 -20.110 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.367 -19.521 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.737 -19.812 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.684 -22.066 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.074 -21.771 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.425 -23.128 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.592 -21.638 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.245 -21.924 1.593 1.00 0.00 H new ATOM 87 N LYS A 7 -13.505 -15.441 4.849 1.00 0.00 N ATOM 88 CA LYS A 7 -13.526 -14.013 5.205 1.00 0.00 C ATOM 89 C LYS A 7 -13.011 -13.160 4.002 1.00 0.00 C ATOM 90 O LYS A 7 -11.912 -13.384 3.534 1.00 0.00 O ATOM 91 CB LYS A 7 -12.564 -13.825 6.392 1.00 0.00 C ATOM 92 CG LYS A 7 -12.776 -12.440 7.019 1.00 0.00 C ATOM 93 CD LYS A 7 -12.124 -12.417 8.409 1.00 0.00 C ATOM 94 CE LYS A 7 -12.430 -11.081 9.088 1.00 0.00 C ATOM 95 NZ LYS A 7 -13.837 -11.061 9.579 1.00 0.00 N ATOM 0 H LYS A 7 -12.852 -16.014 5.384 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.538 -13.697 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.735 -14.602 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.532 -13.928 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.339 -11.669 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.841 -12.222 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.502 -13.241 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.046 -12.555 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.745 -10.923 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.271 -10.263 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.973 -10.245 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.486 -10.986 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.035 -11.938 10.101 1.00 0.00 H new ATOM 109 N PRO A 8 -13.806 -12.189 3.511 1.00 0.00 N ATOM 110 CA PRO A 8 -13.360 -11.368 2.380 1.00 0.00 C ATOM 111 C PRO A 8 -12.161 -10.456 2.754 1.00 0.00 C ATOM 112 O PRO A 8 -12.333 -9.330 3.179 1.00 0.00 O ATOM 113 CB PRO A 8 -14.619 -10.517 1.990 1.00 0.00 C ATOM 114 CG PRO A 8 -15.657 -10.692 3.143 1.00 0.00 C ATOM 115 CD PRO A 8 -15.160 -11.868 4.021 1.00 0.00 C ATOM 0 HA PRO A 8 -12.999 -11.984 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.353 -9.467 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.035 -10.855 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.738 -9.778 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.648 -10.902 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.128 -11.587 5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.825 -12.728 3.941 1.00 0.00 H new ATOM 123 N ARG A 9 -10.964 -10.985 2.604 1.00 0.00 N ATOM 124 CA ARG A 9 -9.757 -10.184 2.934 1.00 0.00 C ATOM 125 C ARG A 9 -9.501 -9.207 1.798 1.00 0.00 C ATOM 126 O ARG A 9 -8.749 -9.486 0.879 1.00 0.00 O ATOM 127 CB ARG A 9 -8.561 -11.157 3.091 1.00 0.00 C ATOM 128 CG ARG A 9 -7.373 -10.437 3.769 1.00 0.00 C ATOM 129 CD ARG A 9 -6.588 -9.591 2.741 1.00 0.00 C ATOM 130 NE ARG A 9 -5.225 -9.321 3.286 1.00 0.00 N ATOM 131 CZ ARG A 9 -4.291 -8.876 2.485 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.579 -8.676 1.228 1.00 0.00 N ATOM 133 NH2 ARG A 9 -3.100 -8.652 2.971 1.00 0.00 N ATOM 0 H ARG A 9 -10.781 -11.931 2.269 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.893 -9.625 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.860 -12.020 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.258 -11.533 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.740 -9.796 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.709 -11.171 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.517 -10.121 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.109 -8.654 2.546 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.024 -9.482 4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.520 -8.866 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.863 -8.329 0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.912 -8.824 3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.358 -8.305 2.363 1.00 0.00 H new ATOM 147 N GLY A 10 -10.149 -8.068 1.896 1.00 0.00 N ATOM 148 CA GLY A 10 -10.002 -7.004 0.846 1.00 0.00 C ATOM 149 C GLY A 10 -9.110 -5.833 1.281 1.00 0.00 C ATOM 150 O GLY A 10 -7.944 -5.771 0.943 1.00 0.00 O ATOM 0 H GLY A 10 -10.777 -7.828 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.586 -7.451 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.989 -6.622 0.587 1.00 0.00 H new ATOM 154 N LYS A 11 -9.688 -4.935 2.023 1.00 0.00 N ATOM 155 CA LYS A 11 -8.926 -3.746 2.500 1.00 0.00 C ATOM 156 C LYS A 11 -7.649 -4.059 3.263 1.00 0.00 C ATOM 157 O LYS A 11 -7.535 -5.047 3.959 1.00 0.00 O ATOM 158 CB LYS A 11 -9.857 -2.900 3.386 1.00 0.00 C ATOM 159 CG LYS A 11 -10.470 -3.763 4.541 1.00 0.00 C ATOM 160 CD LYS A 11 -9.728 -3.474 5.859 1.00 0.00 C ATOM 161 CE LYS A 11 -10.394 -4.249 6.990 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.825 -3.836 8.302 1.00 0.00 N ATOM 0 H LYS A 11 -10.662 -4.971 2.323 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.601 -3.212 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.301 -2.063 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.658 -2.477 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.530 -3.537 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.394 -4.822 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.681 -3.763 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.747 -2.406 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.469 -4.070 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.248 -5.319 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.287 -4.371 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.803 -4.029 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.987 -2.819 8.446 1.00 0.00 H new ATOM 176 N MET A 12 -6.698 -3.163 3.073 1.00 0.00 N ATOM 177 CA MET A 12 -5.383 -3.273 3.722 1.00 0.00 C ATOM 178 C MET A 12 -4.846 -1.859 3.976 1.00 0.00 C ATOM 179 O MET A 12 -5.310 -0.911 3.371 1.00 0.00 O ATOM 180 CB MET A 12 -4.453 -4.026 2.756 1.00 0.00 C ATOM 181 CG MET A 12 -3.320 -4.690 3.549 1.00 0.00 C ATOM 182 SD MET A 12 -2.040 -5.579 2.615 1.00 0.00 S ATOM 183 CE MET A 12 -1.809 -4.366 1.290 1.00 0.00 C ATOM 0 H MET A 12 -6.802 -2.344 2.474 1.00 0.00 H new ATOM 0 HA MET A 12 -5.447 -3.805 4.671 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.016 -4.780 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.040 -3.336 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.828 -3.918 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.770 -5.391 4.252 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.829 -4.507 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.583 -4.500 0.535 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.876 -3.359 1.703 1.00 0.00 H new ATOM 193 N SER A 13 -3.896 -1.731 4.863 1.00 0.00 N ATOM 194 CA SER A 13 -3.344 -0.371 5.144 1.00 0.00 C ATOM 195 C SER A 13 -2.876 0.303 3.850 1.00 0.00 C ATOM 196 O SER A 13 -2.380 -0.349 2.962 1.00 0.00 O ATOM 197 CB SER A 13 -2.144 -0.526 6.097 1.00 0.00 C ATOM 198 OG SER A 13 -2.717 -1.042 7.291 1.00 0.00 O ATOM 0 H SER A 13 -3.483 -2.495 5.398 1.00 0.00 H new ATOM 0 HA SER A 13 -4.120 0.249 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.395 -1.204 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.648 0.429 6.273 1.00 0.00 H new ATOM 0 HG SER A 13 -2.014 -1.174 7.961 1.00 0.00 H new ATOM 204 N SER A 14 -3.053 1.606 3.767 1.00 0.00 N ATOM 205 CA SER A 14 -2.625 2.326 2.545 1.00 0.00 C ATOM 206 C SER A 14 -1.145 2.131 2.322 1.00 0.00 C ATOM 207 O SER A 14 -0.675 2.114 1.201 1.00 0.00 O ATOM 208 CB SER A 14 -2.913 3.815 2.748 1.00 0.00 C ATOM 209 OG SER A 14 -2.104 4.176 3.857 1.00 0.00 O ATOM 0 H SER A 14 -3.473 2.187 4.493 1.00 0.00 H new ATOM 0 HA SER A 14 -3.164 1.943 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.656 4.395 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.969 3.993 2.950 1.00 0.00 H new ATOM 0 HG SER A 14 -2.526 4.915 4.343 1.00 0.00 H new ATOM 215 N TYR A 15 -0.430 1.998 3.397 1.00 0.00 N ATOM 216 CA TYR A 15 1.020 1.799 3.276 1.00 0.00 C ATOM 217 C TYR A 15 1.267 0.398 2.788 1.00 0.00 C ATOM 218 O TYR A 15 2.021 0.180 1.870 1.00 0.00 O ATOM 219 CB TYR A 15 1.677 1.979 4.671 1.00 0.00 C ATOM 220 CG TYR A 15 3.085 1.354 4.666 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.938 1.540 3.588 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.495 0.553 5.708 1.00 0.00 C ATOM 223 CE1 TYR A 15 5.166 0.936 3.561 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.730 -0.052 5.672 1.00 0.00 C ATOM 225 CZ TYR A 15 5.569 0.135 4.597 1.00 0.00 C ATOM 226 OH TYR A 15 6.771 -0.505 4.541 1.00 0.00 O ATOM 0 H TYR A 15 -0.793 2.019 4.350 1.00 0.00 H new ATOM 0 HA TYR A 15 1.445 2.521 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.740 3.038 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.062 1.507 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.631 2.166 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.845 0.399 6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.822 1.092 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.044 -0.679 6.494 1.00 0.00 H new ATOM 0 HH TYR A 15 6.922 -0.992 5.378 1.00 0.00 H new ATOM 236 N ALA A 16 0.641 -0.536 3.440 1.00 0.00 N ATOM 237 CA ALA A 16 0.819 -1.931 3.032 1.00 0.00 C ATOM 238 C ALA A 16 0.484 -2.067 1.561 1.00 0.00 C ATOM 239 O ALA A 16 1.057 -2.867 0.865 1.00 0.00 O ATOM 240 CB ALA A 16 -0.133 -2.801 3.844 1.00 0.00 C ATOM 0 H ALA A 16 0.018 -0.384 4.233 1.00 0.00 H new ATOM 0 HA ALA A 16 1.850 -2.242 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.012 -3.844 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.092 -2.694 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.160 -2.488 3.657 1.00 0.00 H new ATOM 246 N PHE A 17 -0.454 -1.264 1.115 1.00 0.00 N ATOM 247 CA PHE A 17 -0.841 -1.324 -0.313 1.00 0.00 C ATOM 248 C PHE A 17 0.360 -0.955 -1.176 1.00 0.00 C ATOM 249 O PHE A 17 0.580 -1.523 -2.226 1.00 0.00 O ATOM 250 CB PHE A 17 -2.000 -0.285 -0.543 1.00 0.00 C ATOM 251 CG PHE A 17 -3.307 -0.993 -0.930 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.548 -1.356 -2.245 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.286 -1.228 0.021 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.749 -1.935 -2.600 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.485 -1.807 -0.340 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.715 -2.159 -1.648 1.00 0.00 C ATOM 0 H PHE A 17 -0.958 -0.580 1.679 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.174 -2.327 -0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.154 0.300 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.715 0.415 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.792 -1.185 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.110 -0.956 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.930 -2.213 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.244 -1.984 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.655 -2.612 -1.928 1.00 0.00 H new ATOM 266 N PHE A 18 1.117 -0.014 -0.700 1.00 0.00 N ATOM 267 CA PHE A 18 2.313 0.421 -1.459 1.00 0.00 C ATOM 268 C PHE A 18 3.428 -0.603 -1.307 1.00 0.00 C ATOM 269 O PHE A 18 4.368 -0.605 -2.081 1.00 0.00 O ATOM 270 CB PHE A 18 2.762 1.809 -0.913 1.00 0.00 C ATOM 271 CG PHE A 18 4.225 2.102 -1.278 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.257 1.558 -0.533 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.531 2.946 -2.332 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.569 1.857 -0.837 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.847 3.239 -2.631 1.00 0.00 C ATOM 276 CZ PHE A 18 6.861 2.695 -1.882 1.00 0.00 C ATOM 0 H PHE A 18 0.959 0.473 0.182 1.00 0.00 H new ATOM 0 HA PHE A 18 2.077 0.504 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.119 2.589 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.643 1.833 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.034 0.896 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.737 3.377 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.368 1.430 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.079 3.897 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.889 2.927 -2.116 1.00 0.00 H new ATOM 286 N VAL A 19 3.307 -1.470 -0.301 1.00 0.00 N ATOM 287 CA VAL A 19 4.355 -2.497 -0.099 1.00 0.00 C ATOM 288 C VAL A 19 4.110 -3.657 -0.991 1.00 0.00 C ATOM 289 O VAL A 19 5.014 -4.121 -1.620 1.00 0.00 O ATOM 290 CB VAL A 19 4.370 -2.986 1.371 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.387 -4.144 1.509 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.808 -1.821 2.279 1.00 0.00 C ATOM 0 H VAL A 19 2.535 -1.493 0.365 1.00 0.00 H new ATOM 0 HA VAL A 19 5.319 -2.046 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 19 3.377 -3.331 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.403 -4.493 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.096 -4.964 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.380 -3.791 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.822 -2.154 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.806 -1.490 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.106 -0.994 2.173 1.00 0.00 H new ATOM 302 N GLN A 20 2.893 -4.130 -1.041 1.00 0.00 N ATOM 303 CA GLN A 20 2.650 -5.274 -1.925 1.00 0.00 C ATOM 304 C GLN A 20 2.941 -4.842 -3.326 1.00 0.00 C ATOM 305 O GLN A 20 3.207 -5.647 -4.196 1.00 0.00 O ATOM 306 CB GLN A 20 1.192 -5.747 -1.815 1.00 0.00 C ATOM 307 CG GLN A 20 0.257 -4.585 -2.078 1.00 0.00 C ATOM 308 CD GLN A 20 -1.182 -5.087 -2.057 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.554 -5.913 -1.246 1.00 0.00 O ATOM 310 NE2 GLN A 20 -2.024 -4.616 -2.927 1.00 0.00 N ATOM 0 H GLN A 20 2.089 -3.779 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 20 3.293 -6.106 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.004 -6.547 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.007 -6.158 -0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.396 -3.812 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.483 -4.132 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.718 -3.923 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.991 -4.939 -2.927 1.00 0.00 H new ATOM 319 N THR A 21 2.894 -3.544 -3.519 1.00 0.00 N ATOM 320 CA THR A 21 3.169 -2.998 -4.856 1.00 0.00 C ATOM 321 C THR A 21 4.659 -2.961 -5.064 1.00 0.00 C ATOM 322 O THR A 21 5.142 -3.139 -6.166 1.00 0.00 O ATOM 323 CB THR A 21 2.599 -1.582 -4.934 1.00 0.00 C ATOM 324 OG1 THR A 21 1.200 -1.742 -4.827 1.00 0.00 O ATOM 325 CG2 THR A 21 2.806 -0.987 -6.326 1.00 0.00 C ATOM 0 H THR A 21 2.676 -2.853 -2.801 1.00 0.00 H new ATOM 0 HA THR A 21 2.709 -3.618 -5.626 1.00 0.00 H new ATOM 0 HB THR A 21 3.065 -0.953 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.957 -1.878 -3.887 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.392 0.021 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.872 -0.948 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.302 -1.609 -7.066 1.00 0.00 H new ATOM 333 N SER A 22 5.374 -2.735 -3.982 1.00 0.00 N ATOM 334 CA SER A 22 6.854 -2.685 -4.079 1.00 0.00 C ATOM 335 C SER A 22 7.399 -4.098 -4.047 1.00 0.00 C ATOM 336 O SER A 22 8.497 -4.363 -4.485 1.00 0.00 O ATOM 337 CB SER A 22 7.398 -1.913 -2.868 1.00 0.00 C ATOM 338 OG SER A 22 6.919 -0.589 -3.056 1.00 0.00 O ATOM 0 H SER A 22 4.991 -2.585 -3.048 1.00 0.00 H new ATOM 0 HA SER A 22 7.154 -2.194 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.038 -2.337 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.487 -1.942 -2.834 1.00 0.00 H new ATOM 0 HG SER A 22 6.016 -0.512 -2.683 1.00 0.00 H new ATOM 344 N ARG A 23 6.596 -4.981 -3.526 1.00 0.00 N ATOM 345 CA ARG A 23 7.003 -6.397 -3.435 1.00 0.00 C ATOM 346 C ARG A 23 7.012 -7.027 -4.816 1.00 0.00 C ATOM 347 O ARG A 23 7.841 -7.859 -5.124 1.00 0.00 O ATOM 348 CB ARG A 23 5.968 -7.126 -2.539 1.00 0.00 C ATOM 349 CG ARG A 23 6.549 -8.453 -2.008 1.00 0.00 C ATOM 350 CD ARG A 23 5.826 -8.840 -0.701 1.00 0.00 C ATOM 351 NE ARG A 23 5.965 -10.308 -0.488 1.00 0.00 N ATOM 352 CZ ARG A 23 5.209 -11.129 -1.168 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.347 -10.640 -2.016 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.345 -12.414 -0.977 1.00 0.00 N ATOM 0 H ARG A 23 5.668 -4.774 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 23 8.005 -6.476 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.687 -6.485 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.060 -7.323 -3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.426 -9.240 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.619 -8.349 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.253 -8.295 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.773 -8.566 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 23 6.644 -10.669 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.270 -9.631 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.749 -11.267 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.032 -12.760 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.764 -13.071 -1.498 1.00 0.00 H new ATOM 368 N GLU A 24 6.081 -6.608 -5.620 1.00 0.00 N ATOM 369 CA GLU A 24 5.995 -7.153 -6.997 1.00 0.00 C ATOM 370 C GLU A 24 7.044 -6.487 -7.874 1.00 0.00 C ATOM 371 O GLU A 24 6.975 -6.543 -9.091 1.00 0.00 O ATOM 372 CB GLU A 24 4.591 -6.838 -7.552 1.00 0.00 C ATOM 373 CG GLU A 24 3.571 -7.763 -6.886 1.00 0.00 C ATOM 374 CD GLU A 24 2.210 -7.586 -7.560 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.855 -6.436 -7.772 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.600 -8.608 -7.828 1.00 0.00 O ATOM 0 H GLU A 24 5.375 -5.911 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 24 6.168 -8.229 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.336 -5.796 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.574 -6.976 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.897 -8.800 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.495 -7.534 -5.823 1.00 0.00 H new ATOM 383 N GLU A 25 8.007 -5.865 -7.212 1.00 0.00 N ATOM 384 CA GLU A 25 9.112 -5.163 -7.915 1.00 0.00 C ATOM 385 C GLU A 25 10.439 -5.499 -7.232 1.00 0.00 C ATOM 386 O GLU A 25 11.491 -5.413 -7.835 1.00 0.00 O ATOM 387 CB GLU A 25 8.799 -3.612 -7.854 1.00 0.00 C ATOM 388 CG GLU A 25 9.917 -2.827 -7.131 1.00 0.00 C ATOM 389 CD GLU A 25 9.565 -1.333 -7.119 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.396 -1.051 -6.906 1.00 0.00 O ATOM 391 OE2 GLU A 25 10.486 -0.560 -7.322 1.00 0.00 O ATOM 0 H GLU A 25 8.061 -5.822 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 25 9.192 -5.475 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.680 -3.225 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.852 -3.453 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.032 -3.193 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.871 -2.983 -7.635 1.00 0.00 H new ATOM 398 N HIS A 26 10.343 -5.884 -5.981 1.00 0.00 N ATOM 399 CA HIS A 26 11.564 -6.240 -5.202 1.00 0.00 C ATOM 400 C HIS A 26 11.897 -7.714 -5.399 1.00 0.00 C ATOM 401 O HIS A 26 13.041 -8.079 -5.487 1.00 0.00 O ATOM 402 CB HIS A 26 11.263 -5.942 -3.689 1.00 0.00 C ATOM 403 CG HIS A 26 11.911 -6.987 -2.744 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.814 -6.743 -1.914 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.625 -8.334 -2.584 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.129 -7.778 -1.250 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.423 -8.847 -1.609 1.00 0.00 N ATOM 0 H HIS A 26 9.466 -5.966 -5.467 1.00 0.00 H new ATOM 0 HA HIS A 26 12.421 -5.657 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.632 -4.948 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.185 -5.931 -3.530 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.244 -5.827 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.886 -8.888 -3.144 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.886 -7.790 -0.480 1.00 0.00 H new ATOM 415 N LYS A 27 10.890 -8.530 -5.478 1.00 0.00 N ATOM 416 CA LYS A 27 11.160 -9.967 -5.667 1.00 0.00 C ATOM 417 C LYS A 27 11.855 -10.211 -6.999 1.00 0.00 C ATOM 418 O LYS A 27 12.190 -11.332 -7.330 1.00 0.00 O ATOM 419 CB LYS A 27 9.824 -10.722 -5.644 1.00 0.00 C ATOM 420 CG LYS A 27 8.985 -10.309 -6.857 1.00 0.00 C ATOM 421 CD LYS A 27 7.532 -10.750 -6.638 1.00 0.00 C ATOM 422 CE LYS A 27 7.494 -12.250 -6.327 1.00 0.00 C ATOM 423 NZ LYS A 27 6.122 -12.786 -6.530 1.00 0.00 N ATOM 0 H LYS A 27 9.907 -8.266 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 27 11.812 -10.319 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.001 -11.797 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.285 -10.501 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.033 -9.229 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.384 -10.766 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.090 -10.186 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.938 -10.537 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.197 -12.779 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.811 -12.423 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.112 -13.804 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.459 -12.292 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.834 -12.638 -7.518 1.00 0.00 H new ATOM 437 N LYS A 28 12.063 -9.142 -7.735 1.00 0.00 N ATOM 438 CA LYS A 28 12.737 -9.265 -9.060 1.00 0.00 C ATOM 439 C LYS A 28 14.260 -9.264 -8.897 1.00 0.00 C ATOM 440 O LYS A 28 14.983 -9.577 -9.825 1.00 0.00 O ATOM 441 CB LYS A 28 12.313 -8.053 -9.932 1.00 0.00 C ATOM 442 CG LYS A 28 12.413 -8.437 -11.418 1.00 0.00 C ATOM 443 CD LYS A 28 12.154 -7.193 -12.289 1.00 0.00 C ATOM 444 CE LYS A 28 10.714 -6.691 -12.077 1.00 0.00 C ATOM 445 NZ LYS A 28 9.761 -7.835 -11.962 1.00 0.00 N ATOM 0 H LYS A 28 11.794 -8.194 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 28 12.444 -10.204 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.293 -7.755 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.954 -7.197 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.400 -8.846 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.688 -9.216 -11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.863 -6.406 -12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.312 -7.436 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.667 -6.081 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.422 -6.051 -12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.797 -7.507 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.030 -8.580 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.791 -8.216 -10.995 1.00 0.00 H new ATOM 459 N LYS A 29 14.719 -8.909 -7.716 1.00 0.00 N ATOM 460 CA LYS A 29 16.192 -8.883 -7.474 1.00 0.00 C ATOM 461 C LYS A 29 16.513 -8.987 -5.976 1.00 0.00 C ATOM 462 O LYS A 29 17.396 -8.312 -5.480 1.00 0.00 O ATOM 463 CB LYS A 29 16.786 -7.568 -8.068 1.00 0.00 C ATOM 464 CG LYS A 29 16.100 -6.330 -7.442 1.00 0.00 C ATOM 465 CD LYS A 29 16.169 -5.143 -8.416 1.00 0.00 C ATOM 466 CE LYS A 29 15.584 -3.901 -7.732 1.00 0.00 C ATOM 467 NZ LYS A 29 14.303 -4.239 -7.043 1.00 0.00 N ATOM 0 H LYS A 29 14.140 -8.640 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 29 16.643 -9.744 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.859 -7.530 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.651 -7.557 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.060 -6.559 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.588 -6.069 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.202 -4.958 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.612 -5.369 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.299 -3.505 -7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.411 -3.119 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.748 -3.372 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.759 -4.905 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.509 -4.676 -6.122 1.00 0.00 H new ATOM 481 N HIS A 30 15.765 -9.848 -5.289 1.00 0.00 N ATOM 482 CA HIS A 30 15.974 -10.055 -3.808 1.00 0.00 C ATOM 483 C HIS A 30 15.745 -11.552 -3.443 1.00 0.00 C ATOM 484 O HIS A 30 14.810 -11.895 -2.743 1.00 0.00 O ATOM 485 CB HIS A 30 14.943 -9.195 -3.023 1.00 0.00 C ATOM 486 CG HIS A 30 15.394 -7.730 -2.964 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.730 -7.133 -1.920 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.496 -6.800 -3.965 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.036 -5.926 -2.151 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.919 -5.615 -3.439 1.00 0.00 N ATOM 0 H HIS A 30 15.020 -10.413 -5.697 1.00 0.00 H new ATOM 0 HA HIS A 30 16.992 -9.764 -3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.966 -9.261 -3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.829 -9.587 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.276 -6.978 -5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.355 -5.229 -1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.098 -4.727 -3.908 1.00 0.00 H new ATOM 498 N PRO A 31 16.608 -12.422 -3.953 1.00 0.00 N ATOM 499 CA PRO A 31 16.492 -13.860 -3.679 1.00 0.00 C ATOM 500 C PRO A 31 16.919 -14.206 -2.246 1.00 0.00 C ATOM 501 O PRO A 31 16.364 -15.089 -1.624 1.00 0.00 O ATOM 502 CB PRO A 31 17.465 -14.531 -4.702 1.00 0.00 C ATOM 503 CG PRO A 31 18.335 -13.385 -5.324 1.00 0.00 C ATOM 504 CD PRO A 31 17.719 -12.040 -4.849 1.00 0.00 C ATOM 0 HA PRO A 31 15.461 -14.201 -3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 31 18.096 -15.269 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.907 -15.056 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.373 -13.470 -5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.334 -13.447 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.456 -11.431 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.360 -11.451 -5.693 1.00 0.00 H new ATOM 512 N ASP A 32 17.891 -13.498 -1.758 1.00 0.00 N ATOM 513 CA ASP A 32 18.379 -13.766 -0.372 1.00 0.00 C ATOM 514 C ASP A 32 17.451 -13.187 0.688 1.00 0.00 C ATOM 515 O ASP A 32 17.311 -13.742 1.759 1.00 0.00 O ATOM 516 CB ASP A 32 19.765 -13.118 -0.223 1.00 0.00 C ATOM 517 CG ASP A 32 20.576 -13.376 -1.493 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.551 -14.516 -1.928 1.00 0.00 O ATOM 519 OD2 ASP A 32 21.173 -12.420 -1.957 1.00 0.00 O ATOM 0 H ASP A 32 18.372 -12.746 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 32 18.417 -14.845 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.663 -12.046 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.282 -13.530 0.644 1.00 0.00 H new ATOM 524 N ALA A 33 16.836 -12.095 0.377 1.00 0.00 N ATOM 525 CA ALA A 33 15.919 -11.477 1.359 1.00 0.00 C ATOM 526 C ALA A 33 14.740 -12.394 1.675 1.00 0.00 C ATOM 527 O ALA A 33 14.310 -12.482 2.809 1.00 0.00 O ATOM 528 CB ALA A 33 15.382 -10.153 0.765 1.00 0.00 C ATOM 0 H ALA A 33 16.926 -11.602 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 33 16.468 -11.298 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.703 -9.684 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.216 -9.481 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.848 -10.360 -0.162 1.00 0.00 H new ATOM 534 N SER A 34 14.238 -13.057 0.661 1.00 0.00 N ATOM 535 CA SER A 34 13.088 -13.975 0.872 1.00 0.00 C ATOM 536 C SER A 34 11.888 -13.218 1.448 1.00 0.00 C ATOM 537 O SER A 34 10.847 -13.791 1.676 1.00 0.00 O ATOM 538 CB SER A 34 13.513 -15.089 1.850 1.00 0.00 C ATOM 539 OG SER A 34 14.895 -15.276 1.582 1.00 0.00 O ATOM 0 H SER A 34 14.578 -12.999 -0.299 1.00 0.00 H new ATOM 0 HA SER A 34 12.795 -14.405 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.344 -14.796 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.947 -16.005 1.681 1.00 0.00 H new ATOM 0 HG SER A 34 15.250 -15.975 2.169 1.00 0.00 H new ATOM 545 N VAL A 35 12.071 -11.930 1.651 1.00 0.00 N ATOM 546 CA VAL A 35 10.981 -11.083 2.209 1.00 0.00 C ATOM 547 C VAL A 35 10.321 -11.714 3.434 1.00 0.00 C ATOM 548 O VAL A 35 9.309 -12.383 3.329 1.00 0.00 O ATOM 549 CB VAL A 35 9.930 -10.876 1.111 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.796 -9.965 1.640 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.602 -10.205 -0.089 1.00 0.00 C ATOM 0 H VAL A 35 12.939 -11.433 1.450 1.00 0.00 H new ATOM 0 HA VAL A 35 11.412 -10.135 2.532 1.00 0.00 H new ATOM 0 HB VAL A 35 9.508 -11.837 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.051 -9.820 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.327 -10.433 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.210 -8.999 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.867 -10.051 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.014 -9.243 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.405 -10.842 -0.460 1.00 0.00 H new ATOM 561 N ASN A 36 10.909 -11.472 4.582 1.00 0.00 N ATOM 562 CA ASN A 36 10.349 -12.036 5.843 1.00 0.00 C ATOM 563 C ASN A 36 9.278 -11.111 6.413 1.00 0.00 C ATOM 564 O ASN A 36 8.862 -11.270 7.543 1.00 0.00 O ATOM 565 CB ASN A 36 11.492 -12.145 6.863 1.00 0.00 C ATOM 566 CG ASN A 36 12.682 -12.853 6.210 1.00 0.00 C ATOM 567 OD1 ASN A 36 12.728 -14.063 6.125 1.00 0.00 O ATOM 568 ND2 ASN A 36 13.662 -12.133 5.735 1.00 0.00 N ATOM 0 H ASN A 36 11.751 -10.908 4.696 1.00 0.00 H new ATOM 0 HA ASN A 36 9.904 -13.010 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.786 -11.153 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.161 -12.699 7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.462 -12.588 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.628 -11.116 5.804 1.00 0.00 H new ATOM 575 N PHE A 37 8.853 -10.160 5.604 1.00 0.00 N ATOM 576 CA PHE A 37 7.805 -9.201 6.062 1.00 0.00 C ATOM 577 C PHE A 37 8.185 -8.601 7.417 1.00 0.00 C ATOM 578 O PHE A 37 7.361 -8.036 8.115 1.00 0.00 O ATOM 579 CB PHE A 37 6.450 -9.952 6.155 1.00 0.00 C ATOM 580 CG PHE A 37 5.805 -9.969 4.764 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.993 -8.922 4.356 1.00 0.00 C ATOM 582 CD2 PHE A 37 6.062 -11.003 3.880 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.454 -8.911 3.086 1.00 0.00 C ATOM 584 CE2 PHE A 37 5.522 -10.987 2.612 1.00 0.00 C ATOM 585 CZ PHE A 37 4.719 -9.942 2.216 1.00 0.00 C ATOM 0 H PHE A 37 9.189 -10.013 4.652 1.00 0.00 H new ATOM 0 HA PHE A 37 7.719 -8.381 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.605 -10.970 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.792 -9.459 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.781 -8.110 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.689 -11.827 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.823 -8.091 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.730 -11.796 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.297 -9.932 1.222 1.00 0.00 H new ATOM 595 N SER A 38 9.454 -8.741 7.741 1.00 0.00 N ATOM 596 CA SER A 38 9.995 -8.211 9.031 1.00 0.00 C ATOM 597 C SER A 38 11.325 -7.536 8.763 1.00 0.00 C ATOM 598 O SER A 38 11.996 -7.082 9.670 1.00 0.00 O ATOM 599 CB SER A 38 10.220 -9.390 9.990 1.00 0.00 C ATOM 600 OG SER A 38 10.552 -8.772 11.224 1.00 0.00 O ATOM 0 H SER A 38 10.145 -9.208 7.153 1.00 0.00 H new ATOM 0 HA SER A 38 9.296 -7.498 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.326 -10.007 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.022 -10.041 9.641 1.00 0.00 H new ATOM 0 HG SER A 38 11.243 -8.094 11.075 1.00 0.00 H new ATOM 606 N GLU A 39 11.671 -7.496 7.492 1.00 0.00 N ATOM 607 CA GLU A 39 12.950 -6.866 7.051 1.00 0.00 C ATOM 608 C GLU A 39 12.725 -6.137 5.738 1.00 0.00 C ATOM 609 O GLU A 39 13.441 -5.216 5.396 1.00 0.00 O ATOM 610 CB GLU A 39 13.984 -7.984 6.814 1.00 0.00 C ATOM 611 CG GLU A 39 14.462 -8.538 8.159 1.00 0.00 C ATOM 612 CD GLU A 39 15.311 -7.483 8.869 1.00 0.00 C ATOM 613 OE1 GLU A 39 16.350 -7.163 8.318 1.00 0.00 O ATOM 614 OE2 GLU A 39 14.871 -7.056 9.923 1.00 0.00 O ATOM 0 H GLU A 39 11.107 -7.882 6.735 1.00 0.00 H new ATOM 0 HA GLU A 39 13.301 -6.166 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.541 -8.782 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.831 -7.596 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.607 -8.809 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.045 -9.446 8.005 1.00 0.00 H new ATOM 621 N PHE A 40 11.720 -6.575 5.030 1.00 0.00 N ATOM 622 CA PHE A 40 11.388 -5.957 3.730 1.00 0.00 C ATOM 623 C PHE A 40 10.571 -4.697 3.934 1.00 0.00 C ATOM 624 O PHE A 40 10.912 -3.659 3.428 1.00 0.00 O ATOM 625 CB PHE A 40 10.566 -6.971 2.930 1.00 0.00 C ATOM 626 CG PHE A 40 10.107 -6.340 1.619 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.032 -5.852 0.716 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.760 -6.250 1.317 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.620 -5.285 -0.459 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.350 -5.683 0.136 1.00 0.00 C ATOM 631 CZ PHE A 40 9.280 -5.200 -0.753 1.00 0.00 C ATOM 0 H PHE A 40 11.111 -7.345 5.307 1.00 0.00 H new ATOM 0 HA PHE A 40 12.303 -5.689 3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.164 -7.860 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.702 -7.294 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.087 -5.919 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.027 -6.628 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.350 -4.903 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.297 -5.617 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.958 -4.754 -1.682 1.00 0.00 H new ATOM 641 N SER A 41 9.473 -4.827 4.621 1.00 0.00 N ATOM 642 CA SER A 41 8.625 -3.637 4.868 1.00 0.00 C ATOM 643 C SER A 41 9.463 -2.527 5.473 1.00 0.00 C ATOM 644 O SER A 41 9.101 -1.382 5.423 1.00 0.00 O ATOM 645 CB SER A 41 7.519 -4.025 5.862 1.00 0.00 C ATOM 646 OG SER A 41 8.218 -4.636 6.936 1.00 0.00 O ATOM 0 H SER A 41 9.130 -5.701 5.019 1.00 0.00 H new ATOM 0 HA SER A 41 8.192 -3.291 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.959 -3.152 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.801 -4.711 5.412 1.00 0.00 H new ATOM 0 HG SER A 41 7.579 -4.916 7.625 1.00 0.00 H new ATOM 652 N LYS A 42 10.570 -2.883 6.052 1.00 0.00 N ATOM 653 CA LYS A 42 11.408 -1.845 6.642 1.00 0.00 C ATOM 654 C LYS A 42 11.883 -0.911 5.542 1.00 0.00 C ATOM 655 O LYS A 42 11.991 0.282 5.735 1.00 0.00 O ATOM 656 CB LYS A 42 12.616 -2.509 7.308 1.00 0.00 C ATOM 657 CG LYS A 42 13.272 -1.507 8.258 1.00 0.00 C ATOM 658 CD LYS A 42 14.627 -2.057 8.715 1.00 0.00 C ATOM 659 CE LYS A 42 14.432 -3.451 9.330 1.00 0.00 C ATOM 660 NZ LYS A 42 15.575 -3.789 10.220 1.00 0.00 N ATOM 0 H LYS A 42 10.917 -3.839 6.135 1.00 0.00 H new ATOM 0 HA LYS A 42 10.845 -1.278 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.303 -3.398 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.331 -2.835 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.406 -0.548 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.629 -1.330 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.313 -2.113 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.077 -1.385 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.501 -3.479 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.346 -4.196 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.429 -4.734 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.457 -3.782 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.639 -3.087 10.985 1.00 0.00 H new ATOM 674 N LYS A 43 12.156 -1.488 4.393 1.00 0.00 N ATOM 675 CA LYS A 43 12.622 -0.672 3.258 1.00 0.00 C ATOM 676 C LYS A 43 11.455 0.060 2.611 1.00 0.00 C ATOM 677 O LYS A 43 11.503 1.260 2.438 1.00 0.00 O ATOM 678 CB LYS A 43 13.269 -1.600 2.202 1.00 0.00 C ATOM 679 CG LYS A 43 14.693 -1.951 2.640 1.00 0.00 C ATOM 680 CD LYS A 43 15.179 -3.163 1.841 1.00 0.00 C ATOM 681 CE LYS A 43 16.588 -3.536 2.300 1.00 0.00 C ATOM 682 NZ LYS A 43 17.434 -2.316 2.428 1.00 0.00 N ATOM 0 H LYS A 43 12.072 -2.487 4.207 1.00 0.00 H new ATOM 0 HA LYS A 43 13.344 0.058 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.677 -2.508 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.286 -1.107 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.357 -1.102 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.715 -2.171 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.502 -4.005 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.179 -2.934 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.540 -4.055 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.039 -4.226 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.438 -2.586 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.230 -1.668 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.225 -1.841 3.329 1.00 0.00 H new ATOM 696 N CYS A 44 10.409 -0.672 2.273 1.00 0.00 N ATOM 697 CA CYS A 44 9.258 -0.017 1.644 1.00 0.00 C ATOM 698 C CYS A 44 8.734 1.104 2.529 1.00 0.00 C ATOM 699 O CYS A 44 8.283 2.122 2.046 1.00 0.00 O ATOM 700 CB CYS A 44 8.182 -1.077 1.421 1.00 0.00 C ATOM 701 SG CYS A 44 8.726 -2.673 0.760 1.00 0.00 S ATOM 0 H CYS A 44 10.324 -1.679 2.412 1.00 0.00 H new ATOM 0 HA CYS A 44 9.549 0.428 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.681 -1.257 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.436 -0.665 0.741 1.00 0.00 H new ATOM 0 HG CYS A 44 8.355 -3.625 1.564 1.00 0.00 H new ATOM 707 N SER A 45 8.808 0.894 3.809 1.00 0.00 N ATOM 708 CA SER A 45 8.321 1.944 4.748 1.00 0.00 C ATOM 709 C SER A 45 9.159 3.195 4.576 1.00 0.00 C ATOM 710 O SER A 45 8.642 4.290 4.482 1.00 0.00 O ATOM 711 CB SER A 45 8.491 1.444 6.199 1.00 0.00 C ATOM 712 OG SER A 45 8.306 2.611 6.987 1.00 0.00 O ATOM 0 H SER A 45 9.180 0.051 4.246 1.00 0.00 H new ATOM 0 HA SER A 45 7.273 2.159 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.758 0.676 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.477 1.007 6.358 1.00 0.00 H new ATOM 0 HG SER A 45 8.397 2.383 7.936 1.00 0.00 H new ATOM 718 N GLU A 46 10.451 3.003 4.537 1.00 0.00 N ATOM 719 CA GLU A 46 11.354 4.159 4.370 1.00 0.00 C ATOM 720 C GLU A 46 11.251 4.687 2.945 1.00 0.00 C ATOM 721 O GLU A 46 11.899 5.653 2.593 1.00 0.00 O ATOM 722 CB GLU A 46 12.805 3.685 4.644 1.00 0.00 C ATOM 723 CG GLU A 46 13.670 4.883 5.054 1.00 0.00 C ATOM 724 CD GLU A 46 15.040 4.381 5.514 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.710 3.796 4.680 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.340 4.613 6.673 1.00 0.00 O ATOM 0 H GLU A 46 10.911 2.096 4.614 1.00 0.00 H new ATOM 0 HA GLU A 46 11.079 4.955 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.810 2.933 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.219 3.213 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.784 5.569 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.185 5.439 5.856 1.00 0.00 H new ATOM 733 N ARG A 47 10.421 4.010 2.149 1.00 0.00 N ATOM 734 CA ARG A 47 10.208 4.402 0.725 1.00 0.00 C ATOM 735 C ARG A 47 8.801 4.975 0.548 1.00 0.00 C ATOM 736 O ARG A 47 8.488 5.555 -0.470 1.00 0.00 O ATOM 737 CB ARG A 47 10.358 3.123 -0.147 1.00 0.00 C ATOM 738 CG ARG A 47 10.812 3.500 -1.564 1.00 0.00 C ATOM 739 CD ARG A 47 11.267 2.231 -2.289 1.00 0.00 C ATOM 740 NE ARG A 47 11.385 2.524 -3.741 1.00 0.00 N ATOM 741 CZ ARG A 47 11.559 1.540 -4.582 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.625 0.320 -4.122 1.00 0.00 N ATOM 743 NH2 ARG A 47 11.659 1.810 -5.855 1.00 0.00 N ATOM 0 H ARG A 47 9.884 3.195 2.447 1.00 0.00 H new ATOM 0 HA ARG A 47 10.934 5.159 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.082 2.447 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.408 2.590 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.995 3.974 -2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.627 4.222 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.225 1.893 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.552 1.425 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 47 11.331 3.485 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.541 0.147 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.761 -0.461 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.601 2.776 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.795 1.055 -6.527 1.00 0.00 H new ATOM 757 N TRP A 48 7.990 4.777 1.571 1.00 0.00 N ATOM 758 CA TRP A 48 6.576 5.274 1.566 1.00 0.00 C ATOM 759 C TRP A 48 6.454 6.535 2.425 1.00 0.00 C ATOM 760 O TRP A 48 6.026 7.572 1.959 1.00 0.00 O ATOM 761 CB TRP A 48 5.736 4.116 2.155 1.00 0.00 C ATOM 762 CG TRP A 48 4.469 4.604 2.866 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.400 4.788 4.164 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.283 4.690 2.312 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.087 4.972 4.395 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.305 4.921 3.262 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.933 4.557 0.989 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.978 5.003 2.891 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.598 4.645 0.614 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.624 4.867 1.572 1.00 0.00 C ATOM 0 H TRP A 48 8.259 4.282 2.422 1.00 0.00 H new ATOM 0 HA TRP A 48 6.237 5.545 0.566 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.457 3.432 1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.347 3.551 2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.209 4.791 4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.705 5.135 5.327 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.694 4.384 0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.218 5.174 3.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.320 4.540 -0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.414 4.933 1.282 1.00 0.00 H new ATOM 781 N LYS A 49 6.828 6.408 3.657 1.00 0.00 N ATOM 782 CA LYS A 49 6.751 7.586 4.588 1.00 0.00 C ATOM 783 C LYS A 49 7.463 8.810 3.993 1.00 0.00 C ATOM 784 O LYS A 49 7.206 9.933 4.379 1.00 0.00 O ATOM 785 CB LYS A 49 7.496 7.230 5.901 1.00 0.00 C ATOM 786 CG LYS A 49 6.706 6.182 6.711 1.00 0.00 C ATOM 787 CD LYS A 49 7.096 6.299 8.199 1.00 0.00 C ATOM 788 CE LYS A 49 6.312 5.275 9.019 1.00 0.00 C ATOM 789 NZ LYS A 49 6.754 5.306 10.443 1.00 0.00 N ATOM 0 H LYS A 49 7.185 5.547 4.072 1.00 0.00 H new ATOM 0 HA LYS A 49 5.699 7.815 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.488 6.844 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.636 8.130 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.635 6.341 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.923 5.179 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.167 6.132 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.888 7.306 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.245 5.489 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.461 4.277 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.214 4.605 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.768 5.080 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.589 6.254 10.837 1.00 0.00 H new ATOM 803 N THR A 50 8.338 8.559 3.064 1.00 0.00 N ATOM 804 CA THR A 50 9.095 9.661 2.419 1.00 0.00 C ATOM 805 C THR A 50 8.305 10.384 1.340 1.00 0.00 C ATOM 806 O THR A 50 8.486 11.569 1.133 1.00 0.00 O ATOM 807 CB THR A 50 10.325 9.023 1.773 1.00 0.00 C ATOM 808 OG1 THR A 50 10.700 9.860 0.689 1.00 0.00 O ATOM 809 CG2 THR A 50 9.931 7.692 1.125 1.00 0.00 C ATOM 0 H THR A 50 8.563 7.625 2.720 1.00 0.00 H new ATOM 0 HA THR A 50 9.340 10.405 3.177 1.00 0.00 H new ATOM 0 HB THR A 50 11.106 8.888 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.490 9.487 0.245 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.808 7.238 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.532 7.021 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.172 7.869 0.363 1.00 0.00 H new ATOM 817 N MET A 51 7.476 9.669 0.657 1.00 0.00 N ATOM 818 CA MET A 51 6.683 10.312 -0.405 1.00 0.00 C ATOM 819 C MET A 51 5.826 11.447 0.150 1.00 0.00 C ATOM 820 O MET A 51 5.844 11.717 1.339 1.00 0.00 O ATOM 821 CB MET A 51 5.776 9.250 -1.046 1.00 0.00 C ATOM 822 CG MET A 51 6.639 8.099 -1.581 1.00 0.00 C ATOM 823 SD MET A 51 5.884 6.977 -2.792 1.00 0.00 S ATOM 824 CE MET A 51 4.406 6.548 -1.833 1.00 0.00 C ATOM 0 H MET A 51 7.313 8.671 0.787 1.00 0.00 H new ATOM 0 HA MET A 51 7.362 10.737 -1.144 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.063 8.874 -0.312 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.196 9.692 -1.856 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.532 8.530 -2.033 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.969 7.503 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.863 5.749 -2.339 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.702 6.213 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.763 7.424 -1.744 1.00 0.00 H new ATOM 834 N SER A 52 5.088 12.095 -0.736 1.00 0.00 N ATOM 835 CA SER A 52 4.208 13.229 -0.308 1.00 0.00 C ATOM 836 C SER A 52 2.781 12.754 -0.140 1.00 0.00 C ATOM 837 O SER A 52 2.356 11.844 -0.822 1.00 0.00 O ATOM 838 CB SER A 52 4.238 14.296 -1.416 1.00 0.00 C ATOM 839 OG SER A 52 5.520 14.894 -1.285 1.00 0.00 O ATOM 0 H SER A 52 5.062 11.883 -1.733 1.00 0.00 H new ATOM 0 HA SER A 52 4.564 13.629 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.104 13.851 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.441 15.028 -1.286 1.00 0.00 H new ATOM 0 HG SER A 52 5.625 15.594 -1.963 1.00 0.00 H new ATOM 845 N ALA A 53 2.072 13.363 0.792 1.00 0.00 N ATOM 846 CA ALA A 53 0.658 12.966 1.030 1.00 0.00 C ATOM 847 C ALA A 53 -0.095 12.850 -0.281 1.00 0.00 C ATOM 848 O ALA A 53 -1.083 12.150 -0.375 1.00 0.00 O ATOM 849 CB ALA A 53 -0.012 14.034 1.884 1.00 0.00 C ATOM 0 H ALA A 53 2.419 14.113 1.390 1.00 0.00 H new ATOM 0 HA ALA A 53 0.643 11.999 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.050 13.756 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.513 14.121 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.021 14.991 1.362 1.00 0.00 H new ATOM 855 N LYS A 54 0.387 13.547 -1.272 1.00 0.00 N ATOM 856 CA LYS A 54 -0.282 13.488 -2.580 1.00 0.00 C ATOM 857 C LYS A 54 -0.153 12.087 -3.141 1.00 0.00 C ATOM 858 O LYS A 54 -1.137 11.461 -3.496 1.00 0.00 O ATOM 859 CB LYS A 54 0.409 14.473 -3.531 1.00 0.00 C ATOM 860 CG LYS A 54 0.544 15.827 -2.833 1.00 0.00 C ATOM 861 CD LYS A 54 1.115 16.845 -3.820 1.00 0.00 C ATOM 862 CE LYS A 54 1.564 18.086 -3.054 1.00 0.00 C ATOM 863 NZ LYS A 54 1.967 19.164 -3.999 1.00 0.00 N ATOM 0 H LYS A 54 1.210 14.148 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.336 13.746 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.392 14.096 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.169 14.579 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.428 16.161 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.197 15.739 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.956 16.413 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.362 17.113 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.755 18.439 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.400 17.835 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.270 20.001 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.754 18.830 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.159 19.415 -4.605 1.00 0.00 H new ATOM 877 N GLU A 55 1.063 11.604 -3.206 1.00 0.00 N ATOM 878 CA GLU A 55 1.255 10.249 -3.737 1.00 0.00 C ATOM 879 C GLU A 55 0.604 9.251 -2.803 1.00 0.00 C ATOM 880 O GLU A 55 -0.096 8.352 -3.235 1.00 0.00 O ATOM 881 CB GLU A 55 2.755 9.959 -3.818 1.00 0.00 C ATOM 882 CG GLU A 55 3.457 11.129 -4.518 1.00 0.00 C ATOM 883 CD GLU A 55 4.864 10.696 -4.950 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.340 9.738 -4.366 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.381 11.351 -5.839 1.00 0.00 O ATOM 0 H GLU A 55 1.910 12.092 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 55 0.806 10.170 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.165 9.819 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.930 9.033 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.880 11.446 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.519 11.985 -3.846 1.00 0.00 H new ATOM 892 N LYS A 56 0.827 9.427 -1.520 1.00 0.00 N ATOM 893 CA LYS A 56 0.218 8.490 -0.573 1.00 0.00 C ATOM 894 C LYS A 56 -1.273 8.717 -0.580 1.00 0.00 C ATOM 895 O LYS A 56 -2.029 7.990 0.030 1.00 0.00 O ATOM 896 CB LYS A 56 0.773 8.753 0.831 1.00 0.00 C ATOM 897 CG LYS A 56 2.227 8.266 0.892 1.00 0.00 C ATOM 898 CD LYS A 56 2.799 8.467 2.335 1.00 0.00 C ATOM 899 CE LYS A 56 3.573 9.787 2.422 1.00 0.00 C ATOM 900 NZ LYS A 56 2.651 10.946 2.273 1.00 0.00 N ATOM 0 H LYS A 56 1.395 10.169 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 56 0.443 7.462 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.722 9.817 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.171 8.235 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.278 7.213 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.834 8.815 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.985 8.467 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.455 7.635 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.091 9.848 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.336 9.820 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.179 11.830 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.240 10.942 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.890 10.877 2.978 1.00 0.00 H new ATOM 914 N GLY A 57 -1.664 9.750 -1.289 1.00 0.00 N ATOM 915 CA GLY A 57 -3.102 10.087 -1.382 1.00 0.00 C ATOM 916 C GLY A 57 -3.796 9.103 -2.319 1.00 0.00 C ATOM 917 O GLY A 57 -4.915 8.695 -2.082 1.00 0.00 O ATOM 0 H GLY A 57 -1.040 10.370 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.560 10.049 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.225 11.105 -1.751 1.00 0.00 H new ATOM 921 N LYS A 58 -3.109 8.747 -3.374 1.00 0.00 N ATOM 922 CA LYS A 58 -3.694 7.798 -4.338 1.00 0.00 C ATOM 923 C LYS A 58 -3.665 6.387 -3.730 1.00 0.00 C ATOM 924 O LYS A 58 -4.486 5.544 -4.045 1.00 0.00 O ATOM 925 CB LYS A 58 -2.839 7.917 -5.658 1.00 0.00 C ATOM 926 CG LYS A 58 -2.593 6.547 -6.346 1.00 0.00 C ATOM 927 CD LYS A 58 -1.339 5.866 -5.739 1.00 0.00 C ATOM 928 CE LYS A 58 -0.079 6.374 -6.457 1.00 0.00 C ATOM 929 NZ LYS A 58 -0.164 6.098 -7.919 1.00 0.00 N ATOM 0 H LYS A 58 -2.171 9.077 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.737 8.014 -4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.348 8.582 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.879 8.377 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.464 5.905 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.457 6.688 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.275 6.083 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.416 4.783 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.035 7.445 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.804 5.890 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.736 5.695 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.933 5.422 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.355 6.984 -8.429 1.00 0.00 H new ATOM 943 N PHE A 59 -2.754 6.190 -2.818 1.00 0.00 N ATOM 944 CA PHE A 59 -2.644 4.857 -2.164 1.00 0.00 C ATOM 945 C PHE A 59 -3.690 4.795 -1.092 1.00 0.00 C ATOM 946 O PHE A 59 -4.211 3.748 -0.764 1.00 0.00 O ATOM 947 CB PHE A 59 -1.248 4.720 -1.514 1.00 0.00 C ATOM 948 CG PHE A 59 -0.241 4.224 -2.555 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.299 2.927 -3.020 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.750 5.062 -3.033 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.615 2.476 -3.945 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.663 4.610 -3.957 1.00 0.00 C ATOM 953 CZ PHE A 59 1.596 3.317 -4.413 1.00 0.00 C ATOM 0 H PHE A 59 -2.085 6.890 -2.499 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.781 4.057 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.927 5.681 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.293 4.024 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.067 2.261 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.807 6.080 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.561 1.459 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.433 5.273 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.313 2.961 -5.138 1.00 0.00 H new ATOM 963 N GLU A 60 -3.978 5.946 -0.565 1.00 0.00 N ATOM 964 CA GLU A 60 -4.982 6.032 0.486 1.00 0.00 C ATOM 965 C GLU A 60 -6.324 5.821 -0.162 1.00 0.00 C ATOM 966 O GLU A 60 -7.263 5.358 0.450 1.00 0.00 O ATOM 967 CB GLU A 60 -4.907 7.459 1.081 1.00 0.00 C ATOM 968 CG GLU A 60 -3.970 7.478 2.314 1.00 0.00 C ATOM 969 CD GLU A 60 -4.752 7.070 3.575 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.732 7.743 3.849 1.00 0.00 O ATOM 971 OE2 GLU A 60 -4.315 6.118 4.198 1.00 0.00 O ATOM 0 H GLU A 60 -3.548 6.832 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.825 5.293 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.541 8.156 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.904 7.794 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.135 6.795 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.547 8.474 2.445 1.00 0.00 H new ATOM 978 N ASP A 61 -6.371 6.167 -1.417 1.00 0.00 N ATOM 979 CA ASP A 61 -7.618 6.011 -2.168 1.00 0.00 C ATOM 980 C ASP A 61 -7.869 4.539 -2.439 1.00 0.00 C ATOM 981 O ASP A 61 -8.994 4.119 -2.567 1.00 0.00 O ATOM 982 CB ASP A 61 -7.466 6.772 -3.500 1.00 0.00 C ATOM 983 CG ASP A 61 -8.852 7.103 -4.062 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.621 6.166 -4.194 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.060 8.275 -4.331 1.00 0.00 O ATOM 0 H ASP A 61 -5.589 6.552 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.460 6.407 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.897 7.689 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.907 6.167 -4.214 1.00 0.00 H new ATOM 990 N MET A 62 -6.801 3.780 -2.542 1.00 0.00 N ATOM 991 CA MET A 62 -6.967 2.338 -2.799 1.00 0.00 C ATOM 992 C MET A 62 -7.452 1.659 -1.541 1.00 0.00 C ATOM 993 O MET A 62 -8.402 0.919 -1.571 1.00 0.00 O ATOM 994 CB MET A 62 -5.607 1.730 -3.223 1.00 0.00 C ATOM 995 CG MET A 62 -5.279 2.125 -4.683 1.00 0.00 C ATOM 996 SD MET A 62 -4.097 1.084 -5.577 1.00 0.00 S ATOM 997 CE MET A 62 -2.670 1.378 -4.507 1.00 0.00 C ATOM 0 H MET A 62 -5.838 4.105 -2.458 1.00 0.00 H new ATOM 0 HA MET A 62 -7.695 2.190 -3.597 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.819 2.082 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.641 0.644 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.212 2.138 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.895 3.145 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.827 0.779 -4.851 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.402 2.434 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.919 1.099 -3.483 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.780 1.902 -0.456 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.218 1.269 0.800 1.00 0.00 C ATOM 1009 C ALA A 63 -8.651 1.705 1.102 1.00 0.00 C ATOM 1010 O ALA A 63 -9.380 1.030 1.804 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.293 1.745 1.935 1.00 0.00 C ATOM 0 H ALA A 63 -5.959 2.503 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.176 0.183 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.603 1.286 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.266 1.457 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.355 2.830 2.024 1.00 0.00 H new ATOM 1017 N LYS A 64 -9.022 2.844 0.547 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.392 3.374 0.763 1.00 0.00 C ATOM 1019 C LYS A 64 -11.368 2.737 -0.220 1.00 0.00 C ATOM 1020 O LYS A 64 -12.493 2.417 0.125 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.356 4.892 0.513 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.751 5.477 0.731 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.658 7.004 0.673 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.038 7.608 0.941 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.004 9.084 0.757 1.00 0.00 N ATOM 0 H LYS A 64 -8.425 3.421 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.718 3.148 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.642 5.366 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.019 5.096 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.438 5.111 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.148 5.159 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.942 7.364 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.294 7.320 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.772 7.168 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.355 7.369 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.948 9.479 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.318 9.501 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.722 9.306 -0.219 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.911 2.552 -1.427 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.776 1.944 -2.442 1.00 0.00 C ATOM 1041 C ALA A 65 -11.993 0.499 -2.115 1.00 0.00 C ATOM 1042 O ALA A 65 -13.028 -0.068 -2.397 1.00 0.00 O ATOM 1043 CB ALA A 65 -11.084 2.061 -3.809 1.00 0.00 C ATOM 0 H ALA A 65 -9.973 2.800 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.739 2.454 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.715 1.613 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.918 3.112 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.127 1.541 -3.778 1.00 0.00 H new ATOM 1049 N ASP A 66 -11.005 -0.070 -1.516 1.00 0.00 N ATOM 1050 CA ASP A 66 -11.097 -1.476 -1.142 1.00 0.00 C ATOM 1051 C ASP A 66 -12.047 -1.594 0.029 1.00 0.00 C ATOM 1052 O ASP A 66 -12.770 -2.554 0.151 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.693 -1.951 -0.737 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.636 -3.486 -0.745 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.652 -4.070 -0.415 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.575 -3.985 -1.078 1.00 0.00 O ATOM 0 H ASP A 66 -10.129 0.390 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.465 -2.086 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.951 -1.548 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.445 -1.575 0.255 1.00 0.00 H new ATOM 1061 N LYS A 67 -12.016 -0.590 0.886 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.912 -0.601 2.064 1.00 0.00 C ATOM 1063 C LYS A 67 -14.333 -0.837 1.601 1.00 0.00 C ATOM 1064 O LYS A 67 -15.108 -1.501 2.259 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.814 0.768 2.770 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.269 0.626 4.224 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.388 2.018 4.846 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.726 1.881 6.330 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.578 3.196 7.019 1.00 0.00 N ATOM 0 H LYS A 67 -11.408 0.225 0.809 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.622 -1.393 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.789 1.136 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.434 1.501 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.228 0.110 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.555 0.023 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.453 2.565 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.162 2.592 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.746 1.515 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.069 1.144 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.811 3.088 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.597 3.529 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.222 3.889 6.587 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.653 -0.282 0.456 1.00 0.00 N ATOM 1084 CA ALA A 68 -16.011 -0.465 -0.069 1.00 0.00 C ATOM 1085 C ALA A 68 -16.171 -1.892 -0.567 1.00 0.00 C ATOM 1086 O ALA A 68 -17.215 -2.495 -0.421 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.218 0.506 -1.244 1.00 0.00 C ATOM 0 H ALA A 68 -14.028 0.281 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.743 -0.270 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.224 0.382 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.090 1.531 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.487 0.294 -2.024 1.00 0.00 H new ATOM 1093 N ARG A 69 -15.123 -2.404 -1.141 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.173 -3.794 -1.660 1.00 0.00 C ATOM 1095 C ARG A 69 -15.120 -4.783 -0.509 1.00 0.00 C ATOM 1096 O ARG A 69 -15.474 -5.935 -0.658 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.941 -4.028 -2.558 1.00 0.00 C ATOM 1098 CG ARG A 69 -14.014 -3.107 -3.784 1.00 0.00 C ATOM 1099 CD ARG A 69 -15.250 -3.461 -4.637 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.387 -2.598 -4.214 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.576 -2.823 -4.702 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.736 -3.805 -5.547 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.564 -2.053 -4.337 1.00 0.00 N ATOM 0 H ARG A 69 -14.235 -1.921 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.097 -3.936 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.027 -3.832 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.903 -5.070 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.068 -2.066 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.108 -3.210 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.035 -3.310 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.507 -4.513 -4.511 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.238 -1.839 -3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.939 -4.382 -5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.658 -3.996 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.400 -1.290 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.500 -2.214 -4.708 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.683 -4.305 0.628 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.590 -5.184 1.816 1.00 0.00 C ATOM 1119 C TYR A 70 -15.943 -5.296 2.497 1.00 0.00 C ATOM 1120 O TYR A 70 -16.270 -6.317 3.061 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.595 -4.550 2.801 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.417 -5.474 4.003 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.257 -5.373 5.090 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.413 -6.420 4.018 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.096 -6.202 6.178 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.250 -7.250 5.108 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.092 -7.148 6.196 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.931 -7.976 7.288 1.00 0.00 O ATOM 0 H TYR A 70 -14.387 -3.340 0.778 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.264 -6.178 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.636 -4.384 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.959 -3.576 3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.048 -4.638 5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.750 -6.512 3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.761 -6.111 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.458 -7.984 5.109 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.800 -8.125 7.716 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.704 -4.226 2.425 1.00 0.00 N ATOM 1139 CA GLU A 71 -18.047 -4.215 3.051 1.00 0.00 C ATOM 1140 C GLU A 71 -19.116 -4.765 2.106 1.00 0.00 C ATOM 1141 O GLU A 71 -19.810 -5.710 2.423 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.392 -2.755 3.364 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.496 -2.261 4.492 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.789 -0.782 4.755 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.855 -0.529 5.293 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -16.932 0.010 4.403 1.00 0.00 O ATOM 0 H GLU A 71 -16.441 -3.360 1.954 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.028 -4.840 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.254 -2.138 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.440 -2.670 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.672 -2.845 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.448 -2.395 4.225 1.00 0.00 H new ATOM 1153 N ARG A 72 -19.219 -4.152 0.964 1.00 0.00 N ATOM 1154 CA ARG A 72 -20.231 -4.599 -0.041 1.00 0.00 C ATOM 1155 C ARG A 72 -20.134 -6.094 -0.355 1.00 0.00 C ATOM 1156 O ARG A 72 -20.984 -6.622 -1.045 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.983 -3.818 -1.343 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.250 -2.320 -1.109 1.00 0.00 C ATOM 1159 CD ARG A 72 -21.749 -2.082 -0.817 1.00 0.00 C ATOM 1160 NE ARG A 72 -21.967 -2.135 0.656 1.00 0.00 N ATOM 1161 CZ ARG A 72 -23.118 -1.766 1.148 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -24.053 -1.363 0.334 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -23.294 -1.813 2.440 1.00 0.00 N ATOM 0 H ARG A 72 -18.647 -3.358 0.678 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.221 -4.412 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.956 -3.966 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -20.633 -4.194 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.648 -1.963 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -19.948 -1.748 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -22.061 -1.114 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -22.355 -2.839 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.223 -2.457 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -23.879 -1.340 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.958 -1.071 0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.539 -2.134 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.186 -1.529 2.844 1.00 0.00 H new ATOM 1177 N GLU A 73 -19.108 -6.746 0.160 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.929 -8.229 -0.100 1.00 0.00 C ATOM 1179 C GLU A 73 -19.453 -9.090 1.061 1.00 0.00 C ATOM 1180 O GLU A 73 -19.833 -10.226 0.861 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.412 -8.498 -0.273 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.997 -8.147 -1.707 1.00 0.00 C ATOM 1183 CD GLU A 73 -17.567 -9.194 -2.668 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -17.194 -10.344 -2.500 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -18.346 -8.786 -3.516 1.00 0.00 O ATOM 0 H GLU A 73 -18.389 -6.322 0.746 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.497 -8.496 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.841 -7.902 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.190 -9.544 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.364 -7.155 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.910 -8.117 -1.787 1.00 0.00 H new ATOM 1192 N MET A 74 -19.467 -8.544 2.244 1.00 0.00 N ATOM 1193 CA MET A 74 -19.962 -9.340 3.394 1.00 0.00 C ATOM 1194 C MET A 74 -21.431 -9.729 3.231 1.00 0.00 C ATOM 1195 O MET A 74 -22.028 -10.277 4.136 1.00 0.00 O ATOM 1196 CB MET A 74 -19.804 -8.499 4.682 1.00 0.00 C ATOM 1197 CG MET A 74 -18.331 -8.023 4.826 1.00 0.00 C ATOM 1198 SD MET A 74 -17.640 -7.938 6.503 1.00 0.00 S ATOM 1199 CE MET A 74 -17.534 -9.722 6.830 1.00 0.00 C ATOM 0 H MET A 74 -19.162 -7.595 2.461 1.00 0.00 H new ATOM 0 HA MET A 74 -19.378 -10.259 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 74 -20.472 -7.638 4.649 1.00 0.00 H new ATOM 0 HB3 MET A 74 -20.090 -9.091 5.551 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.702 -8.690 4.236 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.252 -7.032 4.379 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.623 -9.936 7.389 1.00 0.00 H new ATOM 0 HE2 MET A 74 -18.400 -10.037 7.412 1.00 0.00 H new ATOM 0 HE3 MET A 74 -17.515 -10.265 5.885 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.996 -9.442 2.084 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.415 -9.801 1.876 1.00 0.00 C ATOM 1211 C LYS A 75 -23.569 -11.309 1.730 1.00 0.00 C ATOM 1212 O LYS A 75 -24.618 -11.793 1.348 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.923 -9.119 0.588 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.990 -9.464 -0.597 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.760 -9.292 -1.916 1.00 0.00 C ATOM 1216 CE LYS A 75 -24.306 -7.864 -1.998 1.00 0.00 C ATOM 1217 NZ LYS A 75 -24.840 -7.587 -3.362 1.00 0.00 N ATOM 0 H LYS A 75 -21.536 -8.981 1.299 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.993 -9.468 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -24.939 -9.448 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.961 -8.039 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.114 -8.815 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.629 -10.488 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.104 -9.492 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -24.578 -10.010 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -25.094 -7.727 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.516 -7.152 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -25.206 -6.614 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.079 -7.698 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.608 -8.255 -3.576 1.00 0.00 H new ATOM 1231 N THR A 76 -22.500 -12.019 2.026 1.00 0.00 N ATOM 1232 CA THR A 76 -22.525 -13.511 1.922 1.00 0.00 C ATOM 1233 C THR A 76 -21.595 -14.126 2.969 1.00 0.00 C ATOM 1234 O THR A 76 -21.284 -15.300 2.921 1.00 0.00 O ATOM 1235 CB THR A 76 -22.043 -13.896 0.509 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.219 -15.295 0.415 1.00 0.00 O ATOM 1237 CG2 THR A 76 -20.524 -13.684 0.359 1.00 0.00 C ATOM 0 H THR A 76 -21.612 -11.624 2.335 1.00 0.00 H new ATOM 0 HA THR A 76 -23.534 -13.883 2.097 1.00 0.00 H new ATOM 0 HB THR A 76 -22.582 -13.304 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.976 -15.713 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.215 -13.964 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.284 -12.635 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.997 -14.302 1.086 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.182 -13.313 3.904 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.283 -13.803 4.961 1.00 0.00 C ATOM 1247 C TYR A 77 -20.154 -12.763 6.053 1.00 0.00 C ATOM 1248 O TYR A 77 -19.446 -11.793 5.895 1.00 0.00 O ATOM 1249 CB TYR A 77 -18.885 -14.057 4.383 1.00 0.00 C ATOM 1250 CG TYR A 77 -17.994 -14.537 5.526 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -18.070 -15.838 5.963 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -17.168 -13.653 6.190 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -17.336 -16.253 7.052 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.433 -14.065 7.278 1.00 0.00 C ATOM 1255 CZ TYR A 77 -16.510 -15.372 7.719 1.00 0.00 C ATOM 1256 OH TYR A 77 -15.764 -15.796 8.800 1.00 0.00 O ATOM 0 H TYR A 77 -21.436 -12.327 3.972 1.00 0.00 H new ATOM 0 HA TYR A 77 -20.700 -14.726 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.928 -14.805 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -18.482 -13.146 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -18.710 -16.540 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.098 -12.629 5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -17.408 -17.277 7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -15.792 -13.362 7.790 1.00 0.00 H new ATOM 0 HH TYR A 77 -15.991 -15.256 9.586 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.862 -12.993 7.138 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.834 -12.048 8.307 1.00 0.00 C ATOM 1268 C ILE A 78 -20.076 -12.581 9.563 1.00 0.00 C ATOM 1269 O ILE A 78 -19.628 -11.781 10.355 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.298 -11.745 8.715 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -23.017 -10.967 7.582 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.273 -10.854 9.995 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -23.465 -11.929 6.458 1.00 0.00 C ATOM 0 H ILE A 78 -21.466 -13.805 7.265 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.289 -11.164 7.976 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.828 -12.680 8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.883 -10.444 7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -22.349 -10.209 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -23.294 -10.628 10.301 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -21.763 -11.385 10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -21.744 -9.925 9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -23.967 -11.363 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -22.593 -12.432 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -24.151 -12.671 6.866 1.00 0.00 H new ATOM 1285 N PRO A 79 -19.913 -13.903 9.729 1.00 0.00 N ATOM 1286 CA PRO A 79 -19.205 -14.418 10.909 1.00 0.00 C ATOM 1287 C PRO A 79 -17.813 -13.725 11.102 1.00 0.00 C ATOM 1288 O PRO A 79 -16.935 -13.889 10.280 1.00 0.00 O ATOM 1289 CB PRO A 79 -19.028 -15.937 10.615 1.00 0.00 C ATOM 1290 CG PRO A 79 -19.992 -16.279 9.440 1.00 0.00 C ATOM 1291 CD PRO A 79 -20.350 -14.937 8.767 1.00 0.00 C ATOM 0 HA PRO A 79 -19.756 -14.225 11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.996 -16.162 10.347 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -19.265 -16.532 11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.515 -16.955 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -20.888 -16.781 9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.841 -14.827 7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -21.420 -14.867 8.569 1.00 0.00 H new ATOM 1299 N PRO A 80 -17.631 -12.938 12.192 1.00 0.00 N ATOM 1300 CA PRO A 80 -16.354 -12.271 12.415 1.00 0.00 C ATOM 1301 C PRO A 80 -15.277 -13.294 12.795 1.00 0.00 C ATOM 1302 O PRO A 80 -15.411 -14.471 12.526 1.00 0.00 O ATOM 1303 CB PRO A 80 -16.614 -11.282 13.602 1.00 0.00 C ATOM 1304 CG PRO A 80 -18.024 -11.624 14.180 1.00 0.00 C ATOM 1305 CD PRO A 80 -18.661 -12.673 13.232 1.00 0.00 C ATOM 0 HA PRO A 80 -15.999 -11.755 11.523 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.847 -11.389 14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.579 -10.248 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.940 -12.020 15.192 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.644 -10.730 14.238 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.920 -13.585 13.771 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.581 -12.294 12.787 1.00 0.00 H new ATOM 1313 N LYS A 81 -14.239 -12.820 13.406 1.00 0.00 N ATOM 1314 CA LYS A 81 -13.152 -13.734 13.813 1.00 0.00 C ATOM 1315 C LYS A 81 -13.622 -14.653 14.937 1.00 0.00 C ATOM 1316 O LYS A 81 -13.342 -14.413 16.095 1.00 0.00 O ATOM 1317 CB LYS A 81 -11.971 -12.894 14.326 1.00 0.00 C ATOM 1318 CG LYS A 81 -11.467 -11.986 13.201 1.00 0.00 C ATOM 1319 CD LYS A 81 -10.410 -11.030 13.762 1.00 0.00 C ATOM 1320 CE LYS A 81 -9.753 -10.276 12.605 1.00 0.00 C ATOM 1321 NZ LYS A 81 -8.805 -9.250 13.121 1.00 0.00 N ATOM 0 H LYS A 81 -14.096 -11.838 13.641 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.855 -14.340 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.282 -12.294 15.181 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.168 -13.546 14.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.042 -12.586 12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.296 -11.421 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.870 -10.327 14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.659 -11.587 14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.223 -10.977 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.518 -9.798 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.368 -8.748 12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.319 -8.571 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.064 -9.714 13.685 1.00 0.00 H new ATOM 1335 N GLY A 82 -14.332 -15.689 14.577 1.00 0.00 N ATOM 1336 CA GLY A 82 -14.829 -16.635 15.620 1.00 0.00 C ATOM 1337 C GLY A 82 -13.704 -17.557 16.091 1.00 0.00 C ATOM 1338 O GLY A 82 -13.381 -17.599 17.261 1.00 0.00 O ATOM 0 H GLY A 82 -14.588 -15.920 13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.226 -16.075 16.467 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.649 -17.230 15.218 1.00 0.00 H new ATOM 1342 N GLU A 83 -13.134 -18.280 15.169 1.00 0.00 N ATOM 1343 CA GLU A 83 -12.034 -19.201 15.544 1.00 0.00 C ATOM 1344 C GLU A 83 -10.863 -18.432 16.142 1.00 0.00 C ATOM 1345 O GLU A 83 -10.423 -18.851 17.201 1.00 0.00 O ATOM 1346 CB GLU A 83 -11.559 -19.925 14.275 1.00 0.00 C ATOM 1347 CG GLU A 83 -12.734 -20.688 13.660 1.00 0.00 C ATOM 1348 CD GLU A 83 -13.097 -21.873 14.558 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -12.223 -22.706 14.735 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -14.227 -21.876 15.020 1.00 0.00 O ATOM 1351 OXT GLU A 83 -10.469 -17.467 15.509 1.00 0.00 O ATOM 0 H GLU A 83 -13.382 -18.272 14.180 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.398 -19.910 16.287 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.162 -19.206 13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.749 -20.614 14.517 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.593 -20.026 13.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.471 -21.041 12.663 1.00 0.00 H new TER 1358 GLU A 83