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= -11.1! C(o=-16!,f=-17!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -4.73 K(o=-16,f=-15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.183) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0815) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0921) USER MOD Single : A 12 MET CE :methyl 165:sc= -1.04 (180deg=-1.72) USER MOD Single : A 13 SER OG : rot 180:sc= -0.184 USER MOD Single : A 14 SER OG : rot -167:sc= -1.46 USER MOD Single : A 15 TYR OH : rot 178:sc= -2.05 USER MOD Single : A 20 GLN : amide:sc= -0.798 K(o=-0.8,f=-2.6) USER MOD Single : A 21 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 22 SER OG : rot 81:sc= 1.11 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.268) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc=-0.00445 (180deg=-0.134) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.39 USER MOD Single : A 36 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.46) USER MOD Single : A 38 SER OG : rot -87:sc= 0.798 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 116:sc= -6.65! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.08) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -169:sc= -0.437 (180deg=-0.982) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= -1.4 (180deg=-4.05!) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= 0.49 (180deg=-2.13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 168:sc= -0.338 (180deg=-1.03) 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 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0576 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.007 -18.840 10.481 1.00 0.00 N ATOM 2 CA GLY A 1 -2.390 -19.381 10.615 1.00 0.00 C ATOM 3 C GLY A 1 -3.380 -18.236 10.836 1.00 0.00 C ATOM 4 O GLY A 1 -4.035 -18.173 11.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.340 -19.624 10.331 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.965 -18.190 9.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.749 -18.328 11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.660 -19.938 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.437 -20.080 11.450 1.00 0.00 H new ATOM 10 N LYS A 2 -3.463 -17.350 9.859 1.00 0.00 N ATOM 11 CA LYS A 2 -4.401 -16.184 9.963 1.00 0.00 C ATOM 12 C LYS A 2 -4.918 -15.792 8.583 1.00 0.00 C ATOM 13 O LYS A 2 -4.780 -14.660 8.166 1.00 0.00 O ATOM 14 CB LYS A 2 -3.634 -14.979 10.545 1.00 0.00 C ATOM 15 CG LYS A 2 -3.039 -15.352 11.904 1.00 0.00 C ATOM 16 CD LYS A 2 -2.449 -14.095 12.553 1.00 0.00 C ATOM 17 CE LYS A 2 -1.544 -14.504 13.715 1.00 0.00 C ATOM 18 NZ LYS A 2 -2.312 -15.291 14.722 1.00 0.00 N ATOM 0 H LYS A 2 -2.920 -17.389 8.997 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.239 -16.463 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.841 -14.676 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.305 -14.127 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.808 -15.782 12.546 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.266 -16.110 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.881 -13.525 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.249 -13.447 12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.708 -15.096 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.121 -13.616 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.748 -15.387 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.203 -14.801 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.521 -16.235 14.339 1.00 0.00 H new ATOM 32 N GLY A 3 -5.502 -16.738 7.899 1.00 0.00 N ATOM 33 CA GLY A 3 -6.038 -16.442 6.538 1.00 0.00 C ATOM 34 C GLY A 3 -7.061 -17.503 6.137 1.00 0.00 C ATOM 35 O GLY A 3 -6.747 -18.433 5.423 1.00 0.00 O ATOM 0 H GLY A 3 -5.631 -17.697 8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.502 -15.456 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.223 -16.419 5.814 1.00 0.00 H new ATOM 39 N ASP A 4 -8.266 -17.339 6.606 1.00 0.00 N ATOM 40 CA ASP A 4 -9.318 -18.324 6.267 1.00 0.00 C ATOM 41 C ASP A 4 -9.710 -18.204 4.769 1.00 0.00 C ATOM 42 O ASP A 4 -9.502 -17.175 4.159 1.00 0.00 O ATOM 43 CB ASP A 4 -10.551 -18.007 7.156 1.00 0.00 C ATOM 44 CG ASP A 4 -10.484 -18.830 8.449 1.00 0.00 C ATOM 45 OD1 ASP A 4 -10.690 -20.027 8.340 1.00 0.00 O ATOM 46 OD2 ASP A 4 -10.233 -18.212 9.470 1.00 0.00 O ATOM 0 H ASP A 4 -8.563 -16.569 7.206 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.958 -19.338 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.577 -16.943 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.469 -18.236 6.615 1.00 0.00 H new ATOM 51 N PRO A 5 -10.273 -19.278 4.203 1.00 0.00 N ATOM 52 CA PRO A 5 -10.681 -19.272 2.794 1.00 0.00 C ATOM 53 C PRO A 5 -11.620 -18.096 2.454 1.00 0.00 C ATOM 54 O PRO A 5 -12.626 -17.892 3.102 1.00 0.00 O ATOM 55 CB PRO A 5 -11.422 -20.636 2.583 1.00 0.00 C ATOM 56 CG PRO A 5 -11.344 -21.420 3.937 1.00 0.00 C ATOM 57 CD PRO A 5 -10.518 -20.552 4.919 1.00 0.00 C ATOM 0 HA PRO A 5 -9.816 -19.151 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.460 -20.469 2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.955 -21.207 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.343 -21.605 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.873 -22.392 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.062 -20.383 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.581 -21.041 5.184 1.00 0.00 H new ATOM 65 N LYS A 6 -11.243 -17.364 1.428 1.00 0.00 N ATOM 66 CA LYS A 6 -12.049 -16.186 0.966 1.00 0.00 C ATOM 67 C LYS A 6 -12.351 -15.177 2.075 1.00 0.00 C ATOM 68 O LYS A 6 -12.970 -14.163 1.817 1.00 0.00 O ATOM 69 CB LYS A 6 -13.390 -16.690 0.390 1.00 0.00 C ATOM 70 CG LYS A 6 -13.122 -17.734 -0.697 1.00 0.00 C ATOM 71 CD LYS A 6 -14.442 -18.420 -1.071 1.00 0.00 C ATOM 72 CE LYS A 6 -15.406 -17.393 -1.680 1.00 0.00 C ATOM 73 NZ LYS A 6 -16.455 -18.081 -2.486 1.00 0.00 N ATOM 0 H LYS A 6 -10.398 -17.537 0.884 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.448 -15.672 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.998 -17.124 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.956 -15.856 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.683 -17.259 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.403 -18.472 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.256 -19.224 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.890 -18.874 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.872 -16.808 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.854 -16.695 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.100 -17.374 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.005 -18.620 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.992 -18.730 -1.876 1.00 0.00 H new ATOM 87 N LYS A 7 -11.924 -15.445 3.281 1.00 0.00 N ATOM 88 CA LYS A 7 -12.212 -14.473 4.363 1.00 0.00 C ATOM 89 C LYS A 7 -11.310 -13.221 4.217 1.00 0.00 C ATOM 90 O LYS A 7 -10.122 -13.363 3.993 1.00 0.00 O ATOM 91 CB LYS A 7 -11.896 -15.125 5.731 1.00 0.00 C ATOM 92 CG LYS A 7 -12.393 -14.185 6.855 1.00 0.00 C ATOM 93 CD LYS A 7 -11.967 -14.727 8.224 1.00 0.00 C ATOM 94 CE LYS A 7 -12.643 -13.896 9.321 1.00 0.00 C ATOM 95 NZ LYS A 7 -12.097 -12.508 9.341 1.00 0.00 N ATOM 0 H LYS A 7 -11.400 -16.276 3.555 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.261 -14.185 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.384 -16.097 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.824 -15.297 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.986 -13.184 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.479 -14.097 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.249 -15.776 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.883 -14.678 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.719 -13.867 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.486 -14.368 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.478 -11.997 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.060 -12.544 9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.372 -12.014 8.468 1.00 0.00 H new ATOM 109 N PRO A 8 -11.881 -11.996 4.321 1.00 0.00 N ATOM 110 CA PRO A 8 -11.063 -10.785 4.194 1.00 0.00 C ATOM 111 C PRO A 8 -10.001 -10.742 5.313 1.00 0.00 C ATOM 112 O PRO A 8 -9.844 -11.696 6.051 1.00 0.00 O ATOM 113 CB PRO A 8 -12.071 -9.596 4.336 1.00 0.00 C ATOM 114 CG PRO A 8 -13.484 -10.218 4.620 1.00 0.00 C ATOM 115 CD PRO A 8 -13.330 -11.757 4.525 1.00 0.00 C ATOM 0 HA PRO A 8 -10.524 -10.745 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.772 -8.933 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.090 -8.997 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.842 -9.927 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.216 -9.858 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.684 -12.244 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.915 -12.160 3.698 1.00 0.00 H new ATOM 123 N ARG A 9 -9.300 -9.630 5.421 1.00 0.00 N ATOM 124 CA ARG A 9 -8.248 -9.512 6.485 1.00 0.00 C ATOM 125 C ARG A 9 -8.055 -8.065 6.900 1.00 0.00 C ATOM 126 O ARG A 9 -6.951 -7.619 7.150 1.00 0.00 O ATOM 127 CB ARG A 9 -6.922 -10.059 5.907 1.00 0.00 C ATOM 128 CG ARG A 9 -6.630 -9.376 4.541 1.00 0.00 C ATOM 129 CD ARG A 9 -5.110 -9.390 4.249 1.00 0.00 C ATOM 130 NE ARG A 9 -4.912 -9.482 2.774 1.00 0.00 N ATOM 131 CZ ARG A 9 -3.707 -9.410 2.281 1.00 0.00 C ATOM 132 NH1 ARG A 9 -2.697 -9.257 3.094 1.00 0.00 N ATOM 133 NH2 ARG A 9 -3.553 -9.487 0.988 1.00 0.00 N ATOM 0 H ARG A 9 -9.411 -8.810 4.825 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.556 -10.078 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.104 -9.869 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.987 -11.139 5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.165 -9.895 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.995 -8.349 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.641 -8.486 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.636 -10.235 4.748 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.714 -9.600 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.857 -9.196 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.748 -9.199 2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.367 -9.601 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.619 -9.433 0.582 1.00 0.00 H new ATOM 147 N GLY A 10 -9.131 -7.356 6.974 1.00 0.00 N ATOM 148 CA GLY A 10 -9.029 -5.943 7.371 1.00 0.00 C ATOM 149 C GLY A 10 -8.440 -5.135 6.231 1.00 0.00 C ATOM 150 O GLY A 10 -7.256 -5.217 5.968 1.00 0.00 O ATOM 0 H GLY A 10 -10.074 -7.693 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.014 -5.557 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.403 -5.848 8.258 1.00 0.00 H new ATOM 154 N LYS A 11 -9.304 -4.398 5.561 1.00 0.00 N ATOM 155 CA LYS A 11 -8.858 -3.545 4.406 1.00 0.00 C ATOM 156 C LYS A 11 -7.480 -2.914 4.669 1.00 0.00 C ATOM 157 O LYS A 11 -7.271 -2.242 5.658 1.00 0.00 O ATOM 158 CB LYS A 11 -9.926 -2.417 4.147 1.00 0.00 C ATOM 159 CG LYS A 11 -10.835 -2.208 5.381 1.00 0.00 C ATOM 160 CD LYS A 11 -10.001 -1.703 6.567 1.00 0.00 C ATOM 161 CE LYS A 11 -10.944 -1.187 7.656 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.779 -2.300 8.189 1.00 0.00 N ATOM 0 H LYS A 11 -10.302 -4.352 5.766 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.768 -4.181 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.420 -1.483 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.537 -2.683 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.621 -1.490 5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.327 -3.145 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.378 -2.507 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.329 -0.908 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.366 -0.738 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.585 -0.405 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.276 -1.982 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.475 -2.586 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.170 -3.110 8.423 1.00 0.00 H new ATOM 176 N MET A 12 -6.575 -3.158 3.761 1.00 0.00 N ATOM 177 CA MET A 12 -5.204 -2.605 3.906 1.00 0.00 C ATOM 178 C MET A 12 -5.198 -1.083 3.943 1.00 0.00 C ATOM 179 O MET A 12 -6.059 -0.436 3.378 1.00 0.00 O ATOM 180 CB MET A 12 -4.384 -3.067 2.684 1.00 0.00 C ATOM 181 CG MET A 12 -3.943 -4.518 2.878 1.00 0.00 C ATOM 182 SD MET A 12 -3.328 -5.388 1.418 1.00 0.00 S ATOM 183 CE MET A 12 -2.453 -3.987 0.676 1.00 0.00 C ATOM 0 H MET A 12 -6.729 -3.719 2.923 1.00 0.00 H new ATOM 0 HA MET A 12 -4.783 -2.961 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.982 -2.977 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.512 -2.426 2.556 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.162 -4.536 3.638 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.788 -5.079 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.776 -4.349 -0.098 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.175 -3.300 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.881 -3.467 1.444 1.00 0.00 H new ATOM 193 N SER A 13 -4.208 -0.544 4.611 1.00 0.00 N ATOM 194 CA SER A 13 -4.100 0.929 4.710 1.00 0.00 C ATOM 195 C SER A 13 -3.469 1.475 3.440 1.00 0.00 C ATOM 196 O SER A 13 -3.174 0.727 2.533 1.00 0.00 O ATOM 197 CB SER A 13 -3.191 1.267 5.904 1.00 0.00 C ATOM 198 OG SER A 13 -3.303 2.676 6.037 1.00 0.00 O ATOM 0 H SER A 13 -3.474 -1.067 5.089 1.00 0.00 H new ATOM 0 HA SER A 13 -5.088 1.369 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.515 0.754 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.160 0.965 5.718 1.00 0.00 H new ATOM 0 HG SER A 13 -2.749 2.979 6.786 1.00 0.00 H new ATOM 204 N SER A 14 -3.257 2.760 3.392 1.00 0.00 N ATOM 205 CA SER A 14 -2.647 3.341 2.179 1.00 0.00 C ATOM 206 C SER A 14 -1.189 2.944 2.074 1.00 0.00 C ATOM 207 O SER A 14 -0.646 2.840 0.990 1.00 0.00 O ATOM 208 CB SER A 14 -2.745 4.872 2.275 1.00 0.00 C ATOM 209 OG SER A 14 -2.520 5.315 0.949 1.00 0.00 O ATOM 0 H SER A 14 -3.479 3.422 4.135 1.00 0.00 H new ATOM 0 HA SER A 14 -3.172 2.973 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.722 5.187 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.002 5.277 2.962 1.00 0.00 H new ATOM 0 HG SER A 14 -2.358 6.282 0.950 1.00 0.00 H new ATOM 215 N TYR A 15 -0.576 2.724 3.201 1.00 0.00 N ATOM 216 CA TYR A 15 0.848 2.330 3.184 1.00 0.00 C ATOM 217 C TYR A 15 0.961 0.889 2.747 1.00 0.00 C ATOM 218 O TYR A 15 1.697 0.566 1.841 1.00 0.00 O ATOM 219 CB TYR A 15 1.431 2.466 4.619 1.00 0.00 C ATOM 220 CG TYR A 15 2.780 1.709 4.711 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.716 1.789 3.689 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.057 0.908 5.798 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.889 1.085 3.756 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.240 0.200 5.858 1.00 0.00 C ATOM 225 CZ TYR A 15 5.159 0.285 4.834 1.00 0.00 C ATOM 226 OH TYR A 15 6.313 -0.448 4.873 1.00 0.00 O ATOM 0 H TYR A 15 -1.000 2.801 4.125 1.00 0.00 H new ATOM 0 HA TYR A 15 1.397 2.971 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.576 3.518 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.727 2.063 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.517 2.414 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.345 0.834 6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.606 1.161 2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.447 -0.425 6.714 1.00 0.00 H new ATOM 0 HH TYR A 15 6.363 -0.934 5.722 1.00 0.00 H new ATOM 236 N ALA A 16 0.242 0.042 3.423 1.00 0.00 N ATOM 237 CA ALA A 16 0.286 -1.382 3.071 1.00 0.00 C ATOM 238 C ALA A 16 -0.007 -1.569 1.594 1.00 0.00 C ATOM 239 O ALA A 16 0.464 -2.507 0.980 1.00 0.00 O ATOM 240 CB ALA A 16 -0.769 -2.123 3.888 1.00 0.00 C ATOM 0 H ALA A 16 -0.371 0.283 4.202 1.00 0.00 H new ATOM 0 HA ALA A 16 1.280 -1.775 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.746 -3.183 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.560 -1.999 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.755 -1.717 3.662 1.00 0.00 H new ATOM 246 N PHE A 17 -0.772 -0.659 1.033 1.00 0.00 N ATOM 247 CA PHE A 17 -1.090 -0.789 -0.404 1.00 0.00 C ATOM 248 C PHE A 17 0.149 -0.485 -1.205 1.00 0.00 C ATOM 249 O PHE A 17 0.377 -1.059 -2.238 1.00 0.00 O ATOM 250 CB PHE A 17 -2.230 0.230 -0.754 1.00 0.00 C ATOM 251 CG PHE A 17 -3.471 -0.511 -1.269 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.453 -0.933 -0.393 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.641 -0.731 -2.624 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.587 -1.560 -0.866 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.773 -1.356 -3.093 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.744 -1.767 -2.218 1.00 0.00 C ATOM 0 H PHE A 17 -1.177 0.148 1.507 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.425 -1.800 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.488 0.814 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.879 0.933 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.332 -0.771 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.879 -0.410 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.351 -1.888 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.897 -1.523 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.634 -2.254 -2.589 1.00 0.00 H new ATOM 266 N PHE A 18 0.927 0.414 -0.699 1.00 0.00 N ATOM 267 CA PHE A 18 2.170 0.779 -1.410 1.00 0.00 C ATOM 268 C PHE A 18 3.209 -0.307 -1.186 1.00 0.00 C ATOM 269 O PHE A 18 4.158 -0.416 -1.935 1.00 0.00 O ATOM 270 CB PHE A 18 2.674 2.147 -0.872 1.00 0.00 C ATOM 271 CG PHE A 18 4.184 2.309 -1.112 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.096 1.761 -0.228 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.649 3.018 -2.205 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.451 1.922 -0.433 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.005 3.176 -2.408 1.00 0.00 C ATOM 276 CZ PHE A 18 6.904 2.628 -1.521 1.00 0.00 C ATOM 0 H PHE A 18 0.758 0.912 0.175 1.00 0.00 H new ATOM 0 HA PHE A 18 1.987 0.868 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.135 2.957 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.461 2.224 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.745 1.204 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.947 3.450 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.156 1.492 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.361 3.730 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.965 2.753 -1.680 1.00 0.00 H new ATOM 286 N VAL A 19 3.012 -1.104 -0.142 1.00 0.00 N ATOM 287 CA VAL A 19 3.979 -2.182 0.127 1.00 0.00 C ATOM 288 C VAL A 19 3.725 -3.311 -0.797 1.00 0.00 C ATOM 289 O VAL A 19 4.633 -3.839 -1.360 1.00 0.00 O ATOM 290 CB VAL A 19 3.847 -2.686 1.586 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.725 -3.946 1.772 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.347 -1.594 2.528 1.00 0.00 C ATOM 0 H VAL A 19 2.231 -1.038 0.511 1.00 0.00 H new ATOM 0 HA VAL A 19 4.985 -1.790 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 19 2.806 -2.926 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.635 -4.304 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.394 -4.725 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.766 -3.698 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.260 -1.935 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.391 -1.372 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.748 -0.694 2.392 1.00 0.00 H new ATOM 302 N GLN A 20 2.485 -3.678 -0.938 1.00 0.00 N ATOM 303 CA GLN A 20 2.188 -4.789 -1.844 1.00 0.00 C ATOM 304 C GLN A 20 2.661 -4.401 -3.228 1.00 0.00 C ATOM 305 O GLN A 20 3.000 -5.234 -4.045 1.00 0.00 O ATOM 306 CB GLN A 20 0.648 -5.090 -1.801 1.00 0.00 C ATOM 307 CG GLN A 20 -0.137 -4.316 -2.905 1.00 0.00 C ATOM 308 CD GLN A 20 -0.213 -5.147 -4.203 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.503 -6.110 -4.392 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.073 -4.802 -5.120 1.00 0.00 N ATOM 0 H GLN A 20 1.683 -3.257 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 20 2.704 -5.702 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.486 -6.161 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.254 -4.820 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.143 -4.090 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.352 -3.363 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.680 -3.995 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.139 -5.339 -5.985 1.00 0.00 H new ATOM 319 N THR A 21 2.705 -3.109 -3.441 1.00 0.00 N ATOM 320 CA THR A 21 3.153 -2.590 -4.748 1.00 0.00 C ATOM 321 C THR A 21 4.654 -2.605 -4.790 1.00 0.00 C ATOM 322 O THR A 21 5.247 -2.820 -5.826 1.00 0.00 O ATOM 323 CB THR A 21 2.639 -1.156 -4.915 1.00 0.00 C ATOM 324 OG1 THR A 21 1.243 -1.242 -4.748 1.00 0.00 O ATOM 325 CG2 THR A 21 2.809 -0.680 -6.351 1.00 0.00 C ATOM 0 H THR A 21 2.447 -2.398 -2.757 1.00 0.00 H new ATOM 0 HA THR A 21 2.764 -3.210 -5.556 1.00 0.00 H new ATOM 0 HB THR A 21 3.164 -0.496 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.015 -1.071 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.437 0.340 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.865 -0.706 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.247 -1.333 -7.020 1.00 0.00 H new ATOM 333 N SER A 22 5.259 -2.379 -3.650 1.00 0.00 N ATOM 334 CA SER A 22 6.733 -2.386 -3.621 1.00 0.00 C ATOM 335 C SER A 22 7.200 -3.819 -3.704 1.00 0.00 C ATOM 336 O SER A 22 8.261 -4.104 -4.197 1.00 0.00 O ATOM 337 CB SER A 22 7.216 -1.785 -2.294 1.00 0.00 C ATOM 338 OG SER A 22 6.815 -0.425 -2.358 1.00 0.00 O ATOM 0 H SER A 22 4.797 -2.194 -2.760 1.00 0.00 H new ATOM 0 HA SER A 22 7.129 -1.804 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.766 -2.292 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.297 -1.876 -2.186 1.00 0.00 H new ATOM 0 HG SER A 22 5.868 -0.352 -2.117 1.00 0.00 H new ATOM 344 N ARG A 23 6.351 -4.695 -3.226 1.00 0.00 N ATOM 345 CA ARG A 23 6.660 -6.152 -3.232 1.00 0.00 C ATOM 346 C ARG A 23 6.819 -6.659 -4.650 1.00 0.00 C ATOM 347 O ARG A 23 7.805 -7.274 -4.985 1.00 0.00 O ATOM 348 CB ARG A 23 5.468 -6.877 -2.542 1.00 0.00 C ATOM 349 CG ARG A 23 5.937 -8.172 -1.829 1.00 0.00 C ATOM 350 CD ARG A 23 4.970 -8.495 -0.669 1.00 0.00 C ATOM 351 NE ARG A 23 5.023 -9.958 -0.390 1.00 0.00 N ATOM 352 CZ ARG A 23 4.389 -10.784 -1.179 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.725 -10.302 -2.195 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.440 -12.062 -0.925 1.00 0.00 N ATOM 0 H ARG A 23 5.444 -4.455 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 23 7.595 -6.343 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.002 -6.208 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.709 -7.122 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.964 -9.001 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.950 -8.045 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.248 -7.931 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.955 -8.198 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 23 5.549 -10.311 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.707 -9.296 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.224 -10.932 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.969 -12.402 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.951 -12.722 -1.530 1.00 0.00 H new ATOM 368 N GLU A 24 5.840 -6.395 -5.450 1.00 0.00 N ATOM 369 CA GLU A 24 5.912 -6.852 -6.854 1.00 0.00 C ATOM 370 C GLU A 24 7.127 -6.236 -7.531 1.00 0.00 C ATOM 371 O GLU A 24 7.743 -6.838 -8.388 1.00 0.00 O ATOM 372 CB GLU A 24 4.640 -6.390 -7.581 1.00 0.00 C ATOM 373 CG GLU A 24 3.448 -7.200 -7.062 1.00 0.00 C ATOM 374 CD GLU A 24 2.215 -6.891 -7.913 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.185 -7.389 -9.025 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.369 -6.175 -7.400 1.00 0.00 O ATOM 0 H GLU A 24 4.994 -5.884 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 24 5.995 -7.938 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.475 -5.326 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.750 -6.528 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.673 -8.266 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.254 -6.954 -6.018 1.00 0.00 H new ATOM 383 N GLU A 25 7.445 -5.035 -7.127 1.00 0.00 N ATOM 384 CA GLU A 25 8.606 -4.346 -7.715 1.00 0.00 C ATOM 385 C GLU A 25 9.895 -4.933 -7.152 1.00 0.00 C ATOM 386 O GLU A 25 10.925 -4.922 -7.797 1.00 0.00 O ATOM 387 CB GLU A 25 8.514 -2.852 -7.340 1.00 0.00 C ATOM 388 CG GLU A 25 7.545 -2.148 -8.287 1.00 0.00 C ATOM 389 CD GLU A 25 7.326 -0.713 -7.801 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.268 -0.186 -7.230 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.232 -0.226 -8.024 1.00 0.00 O ATOM 0 H GLU A 25 6.943 -4.508 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 25 8.609 -4.469 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.175 -2.745 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.499 -2.390 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.945 -2.145 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.596 -2.683 -8.320 1.00 0.00 H new ATOM 398 N HIS A 26 9.796 -5.433 -5.948 1.00 0.00 N ATOM 399 CA HIS A 26 10.983 -6.039 -5.284 1.00 0.00 C ATOM 400 C HIS A 26 11.139 -7.470 -5.762 1.00 0.00 C ATOM 401 O HIS A 26 12.199 -8.035 -5.705 1.00 0.00 O ATOM 402 CB HIS A 26 10.733 -5.991 -3.741 1.00 0.00 C ATOM 403 CG HIS A 26 11.337 -7.199 -2.999 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.197 -7.120 -2.099 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.019 -8.540 -3.090 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.457 -8.257 -1.602 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.750 -9.234 -2.172 1.00 0.00 N ATOM 0 H HIS A 26 8.939 -5.447 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 26 11.898 -5.497 -5.526 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.159 -5.073 -3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.660 -5.954 -3.553 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.636 -6.249 -1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.306 -8.970 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.170 -8.417 -0.807 1.00 0.00 H new ATOM 415 N LYS A 27 10.075 -8.019 -6.240 1.00 0.00 N ATOM 416 CA LYS A 27 10.144 -9.397 -6.724 1.00 0.00 C ATOM 417 C LYS A 27 11.031 -9.458 -7.975 1.00 0.00 C ATOM 418 O LYS A 27 11.433 -10.516 -8.415 1.00 0.00 O ATOM 419 CB LYS A 27 8.708 -9.842 -7.091 1.00 0.00 C ATOM 420 CG LYS A 27 8.641 -11.372 -7.169 1.00 0.00 C ATOM 421 CD LYS A 27 7.211 -11.800 -7.550 1.00 0.00 C ATOM 422 CE LYS A 27 7.246 -13.228 -8.100 1.00 0.00 C ATOM 423 NZ LYS A 27 7.917 -14.138 -7.130 1.00 0.00 N ATOM 0 H LYS A 27 9.162 -7.570 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 27 10.565 -10.049 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.002 -9.476 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.416 -9.407 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.352 -11.741 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.921 -11.809 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.558 -11.748 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.801 -11.119 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.231 -13.576 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.776 -13.246 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.647 -15.122 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.949 -14.037 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.624 -13.891 -6.163 1.00 0.00 H new ATOM 437 N LYS A 28 11.334 -8.299 -8.503 1.00 0.00 N ATOM 438 CA LYS A 28 12.186 -8.236 -9.723 1.00 0.00 C ATOM 439 C LYS A 28 13.679 -8.407 -9.428 1.00 0.00 C ATOM 440 O LYS A 28 14.458 -8.562 -10.345 1.00 0.00 O ATOM 441 CB LYS A 28 11.981 -6.861 -10.379 1.00 0.00 C ATOM 442 CG LYS A 28 10.478 -6.587 -10.551 1.00 0.00 C ATOM 443 CD LYS A 28 9.858 -7.662 -11.463 1.00 0.00 C ATOM 444 CE LYS A 28 8.545 -7.133 -12.055 1.00 0.00 C ATOM 445 NZ LYS A 28 8.822 -6.152 -13.144 1.00 0.00 N ATOM 0 H LYS A 28 11.027 -7.396 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 28 11.887 -9.058 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.434 -6.083 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.479 -6.832 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.984 -6.591 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.325 -5.598 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.552 -7.921 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.672 -8.574 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.955 -7.962 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.951 -6.660 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.961 -6.009 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.118 -5.246 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.581 -6.516 -13.755 1.00 0.00 H new ATOM 459 N LYS A 29 14.069 -8.375 -8.169 1.00 0.00 N ATOM 460 CA LYS A 29 15.532 -8.540 -7.876 1.00 0.00 C ATOM 461 C LYS A 29 15.805 -8.883 -6.401 1.00 0.00 C ATOM 462 O LYS A 29 16.681 -8.310 -5.785 1.00 0.00 O ATOM 463 CB LYS A 29 16.269 -7.220 -8.257 1.00 0.00 C ATOM 464 CG LYS A 29 15.642 -6.022 -7.519 1.00 0.00 C ATOM 465 CD LYS A 29 15.959 -4.727 -8.281 1.00 0.00 C ATOM 466 CE LYS A 29 15.624 -3.528 -7.392 1.00 0.00 C ATOM 467 NZ LYS A 29 15.808 -2.257 -8.144 1.00 0.00 N ATOM 0 H LYS A 29 13.461 -8.247 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 29 15.902 -9.377 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.326 -7.300 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.212 -7.062 -9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.563 -6.155 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.032 -5.963 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.012 -4.704 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.382 -4.683 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.595 -3.604 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.264 -3.532 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.577 -1.452 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.796 -2.180 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.180 -2.250 -8.973 1.00 0.00 H new ATOM 481 N HIS A 30 15.048 -9.828 -5.877 1.00 0.00 N ATOM 482 CA HIS A 30 15.232 -10.246 -4.442 1.00 0.00 C ATOM 483 C HIS A 30 14.809 -11.721 -4.259 1.00 0.00 C ATOM 484 O HIS A 30 13.809 -12.009 -3.630 1.00 0.00 O ATOM 485 CB HIS A 30 14.317 -9.396 -3.539 1.00 0.00 C ATOM 486 CG HIS A 30 14.826 -7.962 -3.414 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.324 -7.476 -2.379 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.785 -6.930 -4.318 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.595 -6.251 -2.526 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.288 -5.807 -3.740 1.00 0.00 N ATOM 0 H HIS A 30 14.313 -10.326 -6.380 1.00 0.00 H new ATOM 0 HA HIS A 30 16.281 -10.113 -4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.306 -9.390 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.258 -9.849 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.412 -6.999 -5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.027 -5.634 -1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.400 -4.873 -4.133 1.00 0.00 H new ATOM 498 N PRO A 31 15.572 -12.633 -4.828 1.00 0.00 N ATOM 499 CA PRO A 31 15.258 -14.059 -4.714 1.00 0.00 C ATOM 500 C PRO A 31 15.626 -14.604 -3.328 1.00 0.00 C ATOM 501 O PRO A 31 15.048 -15.568 -2.862 1.00 0.00 O ATOM 502 CB PRO A 31 16.146 -14.739 -5.804 1.00 0.00 C ATOM 503 CG PRO A 31 17.168 -13.657 -6.302 1.00 0.00 C ATOM 504 CD PRO A 31 16.758 -12.312 -5.646 1.00 0.00 C ATOM 0 HA PRO A 31 14.193 -14.250 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.668 -15.603 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.534 -15.101 -6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.185 -13.929 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.148 -13.578 -7.389 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.564 -11.910 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.526 -11.560 -6.400 1.00 0.00 H new ATOM 512 N ASP A 32 16.571 -13.956 -2.702 1.00 0.00 N ATOM 513 CA ASP A 32 17.025 -14.393 -1.344 1.00 0.00 C ATOM 514 C ASP A 32 16.205 -13.775 -0.209 1.00 0.00 C ATOM 515 O ASP A 32 16.147 -14.319 0.876 1.00 0.00 O ATOM 516 CB ASP A 32 18.487 -13.942 -1.185 1.00 0.00 C ATOM 517 CG ASP A 32 18.612 -12.484 -1.633 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.435 -11.637 -0.776 1.00 0.00 O ATOM 519 OD2 ASP A 32 18.875 -12.303 -2.811 1.00 0.00 O ATOM 0 H ASP A 32 17.053 -13.137 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 32 16.903 -15.474 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.801 -14.045 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.143 -14.576 -1.781 1.00 0.00 H new ATOM 524 N ALA A 33 15.592 -12.665 -0.466 1.00 0.00 N ATOM 525 CA ALA A 33 14.785 -12.024 0.601 1.00 0.00 C ATOM 526 C ALA A 33 13.588 -12.881 1.003 1.00 0.00 C ATOM 527 O ALA A 33 13.291 -13.011 2.171 1.00 0.00 O ATOM 528 CB ALA A 33 14.267 -10.676 0.085 1.00 0.00 C ATOM 0 H ALA A 33 15.612 -12.174 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 33 15.423 -11.897 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.672 -10.194 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.111 -10.037 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.650 -10.838 -0.799 1.00 0.00 H new ATOM 534 N SER A 34 12.919 -13.434 0.024 1.00 0.00 N ATOM 535 CA SER A 34 11.732 -14.289 0.316 1.00 0.00 C ATOM 536 C SER A 34 10.608 -13.477 0.974 1.00 0.00 C ATOM 537 O SER A 34 9.494 -13.943 1.073 1.00 0.00 O ATOM 538 CB SER A 34 12.159 -15.439 1.255 1.00 0.00 C ATOM 539 OG SER A 34 13.524 -15.665 0.927 1.00 0.00 O ATOM 0 H SER A 34 13.145 -13.330 -0.965 1.00 0.00 H new ATOM 0 HA SER A 34 11.352 -14.689 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.041 -15.163 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.556 -16.332 1.091 1.00 0.00 H new ATOM 0 HG SER A 34 13.879 -16.388 1.485 1.00 0.00 H new ATOM 545 N VAL A 35 10.935 -12.273 1.395 1.00 0.00 N ATOM 546 CA VAL A 35 9.921 -11.390 2.050 1.00 0.00 C ATOM 547 C VAL A 35 9.088 -12.128 3.106 1.00 0.00 C ATOM 548 O VAL A 35 7.999 -12.595 2.829 1.00 0.00 O ATOM 549 CB VAL A 35 8.996 -10.855 0.944 1.00 0.00 C ATOM 550 CG1 VAL A 35 7.894 -9.951 1.560 1.00 0.00 C ATOM 551 CG2 VAL A 35 9.843 -10.040 -0.045 1.00 0.00 C ATOM 0 H VAL A 35 11.867 -11.866 1.311 1.00 0.00 H new ATOM 0 HA VAL A 35 10.440 -10.585 2.571 1.00 0.00 H new ATOM 0 HB VAL A 35 8.514 -11.687 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.245 -9.578 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.304 -10.530 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.359 -9.110 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.204 -9.652 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.316 -9.210 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.611 -10.680 -0.479 1.00 0.00 H new ATOM 561 N ASN A 36 9.621 -12.201 4.311 1.00 0.00 N ATOM 562 CA ASN A 36 8.893 -12.898 5.418 1.00 0.00 C ATOM 563 C ASN A 36 7.991 -11.919 6.175 1.00 0.00 C ATOM 564 O ASN A 36 7.553 -12.200 7.275 1.00 0.00 O ATOM 565 CB ASN A 36 9.942 -13.452 6.398 1.00 0.00 C ATOM 566 CG ASN A 36 11.074 -14.105 5.607 1.00 0.00 C ATOM 567 OD1 ASN A 36 10.845 -14.886 4.705 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.307 -13.816 5.912 1.00 0.00 N ATOM 0 H ASN A 36 10.526 -11.808 4.570 1.00 0.00 H new ATOM 0 HA ASN A 36 8.275 -13.693 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.334 -12.649 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.483 -14.180 7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.074 -14.245 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.505 -13.161 6.668 1.00 0.00 H new ATOM 575 N PHE A 37 7.728 -10.787 5.557 1.00 0.00 N ATOM 576 CA PHE A 37 6.858 -9.759 6.205 1.00 0.00 C ATOM 577 C PHE A 37 7.344 -9.471 7.633 1.00 0.00 C ATOM 578 O PHE A 37 6.604 -9.528 8.596 1.00 0.00 O ATOM 579 CB PHE A 37 5.389 -10.267 6.207 1.00 0.00 C ATOM 580 CG PHE A 37 4.784 -9.991 4.827 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.353 -8.716 4.499 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.705 -10.992 3.877 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.860 -8.450 3.239 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.210 -10.722 2.617 1.00 0.00 C ATOM 585 CZ PHE A 37 3.788 -9.450 2.301 1.00 0.00 C ATOM 0 H PHE A 37 8.080 -10.535 4.633 1.00 0.00 H new ATOM 0 HA PHE A 37 6.910 -8.826 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.356 -11.333 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.813 -9.761 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.403 -7.926 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.033 -11.992 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.530 -7.453 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.154 -11.509 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.400 -9.239 1.315 1.00 0.00 H new ATOM 595 N SER A 38 8.600 -9.177 7.716 1.00 0.00 N ATOM 596 CA SER A 38 9.220 -8.873 9.020 1.00 0.00 C ATOM 597 C SER A 38 10.604 -8.318 8.764 1.00 0.00 C ATOM 598 O SER A 38 11.383 -8.104 9.673 1.00 0.00 O ATOM 599 CB SER A 38 9.324 -10.178 9.842 1.00 0.00 C ATOM 600 OG SER A 38 9.561 -11.182 8.869 1.00 0.00 O ATOM 0 H SER A 38 9.235 -9.134 6.919 1.00 0.00 H new ATOM 0 HA SER A 38 8.624 -8.148 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.135 -10.128 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.408 -10.372 10.400 1.00 0.00 H new ATOM 0 HG SER A 38 8.705 -11.505 8.517 1.00 0.00 H new ATOM 606 N GLU A 39 10.870 -8.102 7.495 1.00 0.00 N ATOM 607 CA GLU A 39 12.182 -7.558 7.066 1.00 0.00 C ATOM 608 C GLU A 39 12.005 -6.748 5.789 1.00 0.00 C ATOM 609 O GLU A 39 12.809 -5.889 5.474 1.00 0.00 O ATOM 610 CB GLU A 39 13.118 -8.746 6.777 1.00 0.00 C ATOM 611 CG GLU A 39 13.502 -9.418 8.097 1.00 0.00 C ATOM 612 CD GLU A 39 14.622 -10.430 7.846 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.515 -11.115 6.842 1.00 0.00 O ATOM 614 OE2 GLU A 39 15.518 -10.462 8.673 1.00 0.00 O ATOM 0 H GLU A 39 10.217 -8.286 6.733 1.00 0.00 H new ATOM 0 HA GLU A 39 12.597 -6.918 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.624 -9.462 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.012 -8.402 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.829 -8.668 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.635 -9.918 8.529 1.00 0.00 H new ATOM 621 N PHE A 40 10.935 -7.040 5.087 1.00 0.00 N ATOM 622 CA PHE A 40 10.637 -6.328 3.816 1.00 0.00 C ATOM 623 C PHE A 40 9.852 -5.051 4.077 1.00 0.00 C ATOM 624 O PHE A 40 10.278 -3.981 3.705 1.00 0.00 O ATOM 625 CB PHE A 40 9.791 -7.254 2.942 1.00 0.00 C ATOM 626 CG PHE A 40 9.491 -6.553 1.621 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.524 -6.177 0.781 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.188 -6.260 1.257 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.263 -5.523 -0.392 1.00 0.00 C ATOM 630 CE2 PHE A 40 7.927 -5.604 0.077 1.00 0.00 C ATOM 631 CZ PHE A 40 8.964 -5.231 -0.748 1.00 0.00 C ATOM 0 H PHE A 40 10.252 -7.750 5.349 1.00 0.00 H new ATOM 0 HA PHE A 40 11.574 -6.064 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.322 -8.189 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.862 -7.509 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.545 -6.402 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.372 -6.548 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.077 -5.235 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.908 -5.381 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.760 -4.711 -1.672 1.00 0.00 H new ATOM 641 N SER A 41 8.680 -5.198 4.653 1.00 0.00 N ATOM 642 CA SER A 41 7.852 -4.001 4.950 1.00 0.00 C ATOM 643 C SER A 41 8.674 -2.985 5.710 1.00 0.00 C ATOM 644 O SER A 41 8.455 -1.814 5.596 1.00 0.00 O ATOM 645 CB SER A 41 6.659 -4.433 5.818 1.00 0.00 C ATOM 646 OG SER A 41 7.256 -4.966 6.991 1.00 0.00 O ATOM 0 H SER A 41 8.270 -6.091 4.926 1.00 0.00 H new ATOM 0 HA SER A 41 7.503 -3.556 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.009 -3.589 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.046 -5.177 5.310 1.00 0.00 H new ATOM 0 HG SER A 41 6.556 -5.267 7.607 1.00 0.00 H new ATOM 652 N LYS A 42 9.598 -3.451 6.492 1.00 0.00 N ATOM 653 CA LYS A 42 10.422 -2.498 7.243 1.00 0.00 C ATOM 654 C LYS A 42 11.142 -1.606 6.237 1.00 0.00 C ATOM 655 O LYS A 42 11.356 -0.429 6.463 1.00 0.00 O ATOM 656 CB LYS A 42 11.451 -3.298 8.075 1.00 0.00 C ATOM 657 CG LYS A 42 11.874 -2.471 9.296 1.00 0.00 C ATOM 658 CD LYS A 42 12.863 -3.290 10.150 1.00 0.00 C ATOM 659 CE LYS A 42 12.163 -4.554 10.698 1.00 0.00 C ATOM 660 NZ LYS A 42 12.780 -4.970 11.986 1.00 0.00 N ATOM 0 H LYS A 42 9.811 -4.438 6.638 1.00 0.00 H new ATOM 0 HA LYS A 42 9.816 -1.885 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.018 -4.245 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.322 -3.537 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.339 -1.539 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.999 -2.203 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.727 -3.574 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.234 -2.682 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.101 -4.356 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.240 -5.364 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.299 -5.821 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.788 -5.179 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.685 -4.202 12.681 1.00 0.00 H new ATOM 674 N LYS A 43 11.492 -2.210 5.132 1.00 0.00 N ATOM 675 CA LYS A 43 12.188 -1.487 4.072 1.00 0.00 C ATOM 676 C LYS A 43 11.211 -0.600 3.281 1.00 0.00 C ATOM 677 O LYS A 43 11.491 0.559 3.034 1.00 0.00 O ATOM 678 CB LYS A 43 12.794 -2.557 3.134 1.00 0.00 C ATOM 679 CG LYS A 43 14.083 -2.041 2.485 1.00 0.00 C ATOM 680 CD LYS A 43 14.813 -3.228 1.863 1.00 0.00 C ATOM 681 CE LYS A 43 15.930 -2.718 0.949 1.00 0.00 C ATOM 682 NZ LYS A 43 16.876 -3.821 0.615 1.00 0.00 N ATOM 0 H LYS A 43 11.313 -3.194 4.932 1.00 0.00 H new ATOM 0 HA LYS A 43 12.955 -0.837 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.004 -3.466 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.072 -2.821 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.853 -1.295 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.714 -1.554 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.230 -3.863 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.114 -3.841 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.501 -2.309 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.467 -1.906 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.627 -3.458 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.299 -4.193 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.363 -4.583 0.128 1.00 0.00 H new ATOM 696 N CYS A 44 10.073 -1.159 2.895 1.00 0.00 N ATOM 697 CA CYS A 44 9.103 -0.351 2.135 1.00 0.00 C ATOM 698 C CYS A 44 8.674 0.844 2.951 1.00 0.00 C ATOM 699 O CYS A 44 8.439 1.915 2.424 1.00 0.00 O ATOM 700 CB CYS A 44 7.895 -1.223 1.829 1.00 0.00 C ATOM 701 SG CYS A 44 8.202 -2.816 1.028 1.00 0.00 S ATOM 0 H CYS A 44 9.797 -2.123 3.079 1.00 0.00 H new ATOM 0 HA CYS A 44 9.557 0.006 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.370 -1.412 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.219 -0.651 1.194 1.00 0.00 H new ATOM 0 HG CYS A 44 7.854 -3.779 1.829 1.00 0.00 H new ATOM 707 N SER A 45 8.568 0.638 4.224 1.00 0.00 N ATOM 708 CA SER A 45 8.156 1.754 5.114 1.00 0.00 C ATOM 709 C SER A 45 9.115 2.911 4.934 1.00 0.00 C ATOM 710 O SER A 45 8.712 4.038 4.739 1.00 0.00 O ATOM 711 CB SER A 45 8.223 1.273 6.580 1.00 0.00 C ATOM 712 OG SER A 45 8.209 2.470 7.345 1.00 0.00 O ATOM 0 H SER A 45 8.747 -0.251 4.691 1.00 0.00 H new ATOM 0 HA SER A 45 7.142 2.071 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.376 0.633 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.126 0.692 6.767 1.00 0.00 H new ATOM 0 HG SER A 45 8.248 2.249 8.299 1.00 0.00 H new ATOM 718 N GLU A 46 10.378 2.606 4.997 1.00 0.00 N ATOM 719 CA GLU A 46 11.387 3.667 4.830 1.00 0.00 C ATOM 720 C GLU A 46 11.295 4.264 3.433 1.00 0.00 C ATOM 721 O GLU A 46 11.839 5.321 3.173 1.00 0.00 O ATOM 722 CB GLU A 46 12.778 3.035 5.018 1.00 0.00 C ATOM 723 CG GLU A 46 13.852 4.128 4.933 1.00 0.00 C ATOM 724 CD GLU A 46 15.148 3.622 5.574 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.155 3.543 6.791 1.00 0.00 O ATOM 726 OE2 GLU A 46 16.057 3.345 4.809 1.00 0.00 O ATOM 0 H GLU A 46 10.748 1.669 5.157 1.00 0.00 H new ATOM 0 HA GLU A 46 11.217 4.458 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.833 2.531 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.952 2.279 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.030 4.398 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.510 5.029 5.442 1.00 0.00 H new ATOM 733 N ARG A 47 10.590 3.556 2.562 1.00 0.00 N ATOM 734 CA ARG A 47 10.412 4.014 1.149 1.00 0.00 C ATOM 735 C ARG A 47 9.038 4.673 0.943 1.00 0.00 C ATOM 736 O ARG A 47 8.779 5.241 -0.104 1.00 0.00 O ATOM 737 CB ARG A 47 10.513 2.761 0.243 1.00 0.00 C ATOM 738 CG ARG A 47 10.949 3.176 -1.164 1.00 0.00 C ATOM 739 CD ARG A 47 11.189 1.919 -2.004 1.00 0.00 C ATOM 740 NE ARG A 47 11.897 2.307 -3.251 1.00 0.00 N ATOM 741 CZ ARG A 47 12.133 1.404 -4.165 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.739 0.175 -3.958 1.00 0.00 N ATOM 743 NH2 ARG A 47 12.758 1.760 -5.251 1.00 0.00 N ATOM 0 H ARG A 47 10.130 2.673 2.782 1.00 0.00 H new ATOM 0 HA ARG A 47 11.176 4.753 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.229 2.054 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.550 2.252 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.183 3.797 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.858 3.775 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.781 1.197 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.241 1.437 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 47 12.197 3.272 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.255 -0.067 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.915 -0.542 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.053 2.728 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.952 1.070 -5.977 1.00 0.00 H new ATOM 757 N TRP A 48 8.192 4.572 1.955 1.00 0.00 N ATOM 758 CA TRP A 48 6.810 5.172 1.886 1.00 0.00 C ATOM 759 C TRP A 48 6.732 6.467 2.696 1.00 0.00 C ATOM 760 O TRP A 48 6.392 7.509 2.174 1.00 0.00 O ATOM 761 CB TRP A 48 5.857 4.113 2.482 1.00 0.00 C ATOM 762 CG TRP A 48 4.582 4.738 3.068 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.417 4.981 4.350 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.470 4.935 2.403 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.120 5.321 4.447 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.447 5.316 3.248 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.230 4.808 1.058 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.184 5.551 2.749 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.962 5.054 0.556 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.945 5.422 1.407 1.00 0.00 C ATOM 0 H TRP A 48 8.404 4.095 2.832 1.00 0.00 H new ATOM 0 HA TRP A 48 6.545 5.425 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.584 3.396 1.707 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.378 3.557 3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.151 4.921 5.140 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.674 5.562 5.332 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.028 4.517 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.384 5.837 3.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.772 4.957 -0.503 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.044 5.609 1.015 1.00 0.00 H new ATOM 781 N LYS A 49 7.032 6.356 3.955 1.00 0.00 N ATOM 782 CA LYS A 49 6.991 7.567 4.852 1.00 0.00 C ATOM 783 C LYS A 49 7.755 8.745 4.237 1.00 0.00 C ATOM 784 O LYS A 49 7.621 9.873 4.674 1.00 0.00 O ATOM 785 CB LYS A 49 7.693 7.219 6.186 1.00 0.00 C ATOM 786 CG LYS A 49 6.973 6.057 6.884 1.00 0.00 C ATOM 787 CD LYS A 49 7.569 5.867 8.294 1.00 0.00 C ATOM 788 CE LYS A 49 6.612 5.025 9.141 1.00 0.00 C ATOM 789 NZ LYS A 49 5.467 5.852 9.608 1.00 0.00 N ATOM 0 H LYS A 49 7.305 5.486 4.413 1.00 0.00 H new ATOM 0 HA LYS A 49 5.946 7.844 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.732 6.950 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.703 8.093 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.905 6.263 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.085 5.142 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.540 5.377 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.733 6.836 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.245 4.182 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.143 4.611 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.959 5.348 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.820 6.759 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.819 6.029 8.814 1.00 0.00 H new ATOM 803 N THR A 50 8.532 8.449 3.234 1.00 0.00 N ATOM 804 CA THR A 50 9.336 9.497 2.549 1.00 0.00 C ATOM 805 C THR A 50 8.569 10.196 1.423 1.00 0.00 C ATOM 806 O THR A 50 8.727 11.383 1.209 1.00 0.00 O ATOM 807 CB THR A 50 10.553 8.781 1.945 1.00 0.00 C ATOM 808 OG1 THR A 50 10.940 9.524 0.798 1.00 0.00 O ATOM 809 CG2 THR A 50 10.126 7.412 1.405 1.00 0.00 C ATOM 0 H THR A 50 8.645 7.509 2.854 1.00 0.00 H new ATOM 0 HA THR A 50 9.605 10.268 3.271 1.00 0.00 H new ATOM 0 HB THR A 50 11.336 8.687 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.719 9.100 0.381 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.990 6.904 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.718 6.811 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.365 7.545 0.636 1.00 0.00 H new ATOM 817 N MET A 51 7.775 9.451 0.724 1.00 0.00 N ATOM 818 CA MET A 51 6.997 10.051 -0.388 1.00 0.00 C ATOM 819 C MET A 51 6.140 11.220 0.080 1.00 0.00 C ATOM 820 O MET A 51 6.056 11.495 1.265 1.00 0.00 O ATOM 821 CB MET A 51 6.088 8.962 -0.983 1.00 0.00 C ATOM 822 CG MET A 51 6.955 7.791 -1.467 1.00 0.00 C ATOM 823 SD MET A 51 6.187 6.572 -2.569 1.00 0.00 S ATOM 824 CE MET A 51 4.550 6.545 -1.793 1.00 0.00 C ATOM 0 H MET A 51 7.628 8.452 0.871 1.00 0.00 H new ATOM 0 HA MET A 51 7.696 10.434 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.375 8.617 -0.234 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.508 9.368 -1.812 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.823 8.206 -1.979 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.325 7.263 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.971 5.713 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.660 6.424 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.033 7.481 -2.002 1.00 0.00 H new ATOM 834 N SER A 52 5.510 11.883 -0.877 1.00 0.00 N ATOM 835 CA SER A 52 4.639 13.052 -0.547 1.00 0.00 C ATOM 836 C SER A 52 3.197 12.606 -0.429 1.00 0.00 C ATOM 837 O SER A 52 2.827 11.578 -0.953 1.00 0.00 O ATOM 838 CB SER A 52 4.748 14.066 -1.699 1.00 0.00 C ATOM 839 OG SER A 52 6.072 14.571 -1.594 1.00 0.00 O ATOM 0 H SER A 52 5.568 11.657 -1.870 1.00 0.00 H new ATOM 0 HA SER A 52 4.956 13.494 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.578 13.591 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.009 14.861 -1.601 1.00 0.00 H new ATOM 0 HG SER A 52 6.227 15.231 -2.302 1.00 0.00 H new ATOM 845 N ALA A 53 2.399 13.375 0.260 1.00 0.00 N ATOM 846 CA ALA A 53 0.989 12.981 0.399 1.00 0.00 C ATOM 847 C ALA A 53 0.350 12.834 -0.967 1.00 0.00 C ATOM 848 O ALA A 53 -0.648 12.159 -1.119 1.00 0.00 O ATOM 849 CB ALA A 53 0.246 14.052 1.184 1.00 0.00 C ATOM 0 H ALA A 53 2.666 14.244 0.722 1.00 0.00 H new ATOM 0 HA ALA A 53 0.936 12.027 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.800 13.765 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.696 14.157 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.310 15.002 0.653 1.00 0.00 H new ATOM 855 N LYS A 54 0.933 13.480 -1.944 1.00 0.00 N ATOM 856 CA LYS A 54 0.372 13.385 -3.308 1.00 0.00 C ATOM 857 C LYS A 54 0.454 11.948 -3.790 1.00 0.00 C ATOM 858 O LYS A 54 -0.534 11.371 -4.215 1.00 0.00 O ATOM 859 CB LYS A 54 1.194 14.278 -4.249 1.00 0.00 C ATOM 860 CG LYS A 54 0.904 15.745 -3.930 1.00 0.00 C ATOM 861 CD LYS A 54 1.892 16.641 -4.696 1.00 0.00 C ATOM 862 CE LYS A 54 1.591 16.586 -6.207 1.00 0.00 C ATOM 863 NZ LYS A 54 2.210 15.379 -6.819 1.00 0.00 N ATOM 0 H LYS A 54 1.765 14.062 -1.850 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.669 13.708 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.257 14.071 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.942 14.062 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.120 15.993 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.994 15.920 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.816 17.668 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.914 16.313 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.513 16.571 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.973 17.484 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.765 15.658 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.835 14.920 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.464 14.714 -7.106 1.00 0.00 H new ATOM 877 N GLU A 55 1.634 11.381 -3.711 1.00 0.00 N ATOM 878 CA GLU A 55 1.774 9.988 -4.163 1.00 0.00 C ATOM 879 C GLU A 55 1.031 9.078 -3.209 1.00 0.00 C ATOM 880 O GLU A 55 0.295 8.205 -3.618 1.00 0.00 O ATOM 881 CB GLU A 55 3.264 9.619 -4.161 1.00 0.00 C ATOM 882 CG GLU A 55 4.040 10.671 -4.957 1.00 0.00 C ATOM 883 CD GLU A 55 5.469 10.180 -5.192 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.604 9.277 -6.002 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.344 10.735 -4.549 1.00 0.00 O ATOM 0 H GLU A 55 2.483 11.823 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 55 1.363 9.876 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.638 9.569 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.408 8.632 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.547 10.858 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.053 11.616 -4.415 1.00 0.00 H new ATOM 892 N LYS A 56 1.210 9.313 -1.943 1.00 0.00 N ATOM 893 CA LYS A 56 0.518 8.468 -0.963 1.00 0.00 C ATOM 894 C LYS A 56 -0.957 8.803 -1.010 1.00 0.00 C ATOM 895 O LYS A 56 -1.759 8.212 -0.324 1.00 0.00 O ATOM 896 CB LYS A 56 1.070 8.776 0.442 1.00 0.00 C ATOM 897 CG LYS A 56 2.623 8.667 0.427 1.00 0.00 C ATOM 898 CD LYS A 56 3.242 9.430 1.645 1.00 0.00 C ATOM 899 CE LYS A 56 3.415 8.484 2.844 1.00 0.00 C ATOM 900 NZ LYS A 56 2.095 8.156 3.450 1.00 0.00 N ATOM 0 H LYS A 56 1.801 10.048 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 56 0.671 7.413 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.768 9.777 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.653 8.079 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.919 7.619 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.013 9.080 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.208 9.851 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.599 10.265 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.911 7.568 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.058 8.949 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.152 8.260 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.371 8.802 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.839 7.176 3.215 1.00 0.00 H new ATOM 914 N GLY A 57 -1.269 9.769 -1.845 1.00 0.00 N ATOM 915 CA GLY A 57 -2.681 10.217 -2.007 1.00 0.00 C ATOM 916 C GLY A 57 -3.468 9.233 -2.880 1.00 0.00 C ATOM 917 O GLY A 57 -4.559 8.831 -2.530 1.00 0.00 O ATOM 0 H GLY A 57 -0.594 10.268 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.155 10.302 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.703 11.209 -2.459 1.00 0.00 H new ATOM 921 N LYS A 58 -2.916 8.873 -4.012 1.00 0.00 N ATOM 922 CA LYS A 58 -3.649 7.921 -4.879 1.00 0.00 C ATOM 923 C LYS A 58 -3.717 6.573 -4.199 1.00 0.00 C ATOM 924 O LYS A 58 -4.587 5.770 -4.470 1.00 0.00 O ATOM 925 CB LYS A 58 -2.902 7.775 -6.211 1.00 0.00 C ATOM 926 CG LYS A 58 -1.405 7.535 -5.937 1.00 0.00 C ATOM 927 CD LYS A 58 -0.787 6.819 -7.119 1.00 0.00 C ATOM 928 CE LYS A 58 0.711 6.667 -6.884 1.00 0.00 C ATOM 929 NZ LYS A 58 1.392 6.225 -8.136 1.00 0.00 N ATOM 0 H LYS A 58 -2.012 9.191 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.658 8.292 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.316 6.944 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.033 8.674 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.898 8.485 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.280 6.941 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.248 5.840 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.969 7.381 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.131 7.616 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.889 5.942 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.412 6.126 -7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.002 5.309 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.237 6.931 -8.884 1.00 0.00 H new ATOM 943 N PHE A 59 -2.783 6.355 -3.320 1.00 0.00 N ATOM 944 CA PHE A 59 -2.747 5.069 -2.586 1.00 0.00 C ATOM 945 C PHE A 59 -3.800 5.129 -1.508 1.00 0.00 C ATOM 946 O PHE A 59 -4.311 4.124 -1.061 1.00 0.00 O ATOM 947 CB PHE A 59 -1.354 4.895 -1.931 1.00 0.00 C ATOM 948 CG PHE A 59 -0.373 4.266 -2.937 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.607 3.007 -3.461 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.780 4.938 -3.314 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.292 2.436 -4.336 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.672 4.365 -4.188 1.00 0.00 C ATOM 953 CZ PHE A 59 1.430 3.117 -4.701 1.00 0.00 C ATOM 0 H PHE A 59 -2.043 7.014 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.933 4.233 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.976 5.862 -1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.435 4.263 -1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.500 2.468 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.979 5.922 -2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.102 1.451 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.567 4.899 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.131 2.670 -5.390 1.00 0.00 H new ATOM 963 N GLU A 60 -4.094 6.333 -1.107 1.00 0.00 N ATOM 964 CA GLU A 60 -5.107 6.533 -0.066 1.00 0.00 C ATOM 965 C GLU A 60 -6.447 6.297 -0.703 1.00 0.00 C ATOM 966 O GLU A 60 -7.408 5.950 -0.051 1.00 0.00 O ATOM 967 CB GLU A 60 -4.997 8.016 0.433 1.00 0.00 C ATOM 968 CG GLU A 60 -4.695 8.058 1.935 1.00 0.00 C ATOM 969 CD GLU A 60 -5.814 7.349 2.706 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.948 7.491 2.272 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.473 6.706 3.686 1.00 0.00 O ATOM 0 H GLU A 60 -3.666 7.187 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.971 5.858 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.210 8.533 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.928 8.544 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.739 7.576 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.608 9.092 2.270 1.00 0.00 H new ATOM 978 N ASP A 61 -6.467 6.491 -1.993 1.00 0.00 N ATOM 979 CA ASP A 61 -7.717 6.292 -2.750 1.00 0.00 C ATOM 980 C ASP A 61 -7.903 4.817 -3.020 1.00 0.00 C ATOM 981 O ASP A 61 -9.011 4.336 -3.143 1.00 0.00 O ATOM 982 CB ASP A 61 -7.597 7.053 -4.078 1.00 0.00 C ATOM 983 CG ASP A 61 -8.990 7.248 -4.679 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.588 6.235 -5.001 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.377 8.400 -4.779 1.00 0.00 O ATOM 0 H ASP A 61 -5.663 6.780 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.573 6.660 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.121 8.020 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.964 6.499 -4.771 1.00 0.00 H new ATOM 990 N MET A 62 -6.800 4.120 -3.131 1.00 0.00 N ATOM 991 CA MET A 62 -6.880 2.681 -3.387 1.00 0.00 C ATOM 992 C MET A 62 -7.290 1.983 -2.115 1.00 0.00 C ATOM 993 O MET A 62 -8.179 1.163 -2.116 1.00 0.00 O ATOM 994 CB MET A 62 -5.493 2.184 -3.845 1.00 0.00 C ATOM 995 CG MET A 62 -5.243 2.591 -5.336 1.00 0.00 C ATOM 996 SD MET A 62 -3.650 3.348 -5.726 1.00 0.00 S ATOM 997 CE MET A 62 -2.696 1.819 -5.809 1.00 0.00 C ATOM 0 H MET A 62 -5.856 4.500 -3.053 1.00 0.00 H new ATOM 0 HA MET A 62 -7.614 2.468 -4.164 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.717 2.609 -3.209 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.433 1.101 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.354 1.699 -5.953 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.029 3.285 -5.634 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.719 2.023 -6.247 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.566 1.416 -4.805 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.226 1.093 -6.425 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.626 2.311 -1.043 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.985 1.671 0.229 1.00 0.00 C ATOM 1009 C ALA A 63 -8.439 1.989 0.533 1.00 0.00 C ATOM 1010 O ALA A 63 -9.127 1.228 1.186 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.090 2.245 1.342 1.00 0.00 C ATOM 0 H ALA A 63 -5.862 2.986 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.846 0.592 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.347 1.778 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.045 2.043 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.244 3.322 1.414 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.884 3.126 0.043 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.280 3.520 0.284 1.00 0.00 C ATOM 1019 C LYS A 64 -11.190 2.680 -0.586 1.00 0.00 C ATOM 1020 O LYS A 64 -12.282 2.319 -0.191 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.458 5.003 -0.081 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.924 5.400 0.150 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.044 6.931 0.205 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.828 7.511 -1.194 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.158 8.962 -1.209 1.00 0.00 N ATOM 0 H LYS A 64 -8.332 3.783 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.530 3.368 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.799 5.623 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.182 5.171 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.548 5.005 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.287 4.964 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.027 7.216 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.308 7.339 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.792 7.364 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.452 6.982 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.007 9.343 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.153 9.095 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.545 9.464 -0.535 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.721 2.369 -1.766 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.542 1.559 -2.660 1.00 0.00 C ATOM 1041 C ALA A 65 -11.635 0.171 -2.099 1.00 0.00 C ATOM 1042 O ALA A 65 -12.639 -0.493 -2.225 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.886 1.510 -4.048 1.00 0.00 C ATOM 0 H ALA A 65 -9.810 2.647 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.539 1.991 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.497 0.905 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.802 2.521 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.893 1.069 -3.966 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.576 -0.239 -1.469 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.563 -1.580 -0.878 1.00 0.00 C ATOM 1051 C ASP A 66 -11.481 -1.586 0.319 1.00 0.00 C ATOM 1052 O ASP A 66 -12.073 -2.591 0.656 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.129 -1.909 -0.423 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.023 -3.405 -0.131 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -8.791 -4.129 -1.085 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -9.179 -3.740 1.031 1.00 0.00 O ATOM 0 H ASP A 66 -9.722 0.304 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.896 -2.320 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.416 -1.626 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.877 -1.334 0.468 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.579 -0.445 0.951 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.450 -0.344 2.128 1.00 0.00 C ATOM 1063 C LYS A 67 -13.862 -0.751 1.744 1.00 0.00 C ATOM 1064 O LYS A 67 -14.570 -1.360 2.517 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.448 1.125 2.620 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.808 1.165 4.106 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.095 2.612 4.509 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.121 2.713 6.036 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.438 4.107 6.461 1.00 0.00 N ATOM 0 H LYS A 67 -11.089 0.412 0.693 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.090 -1.001 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.467 1.572 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.164 1.713 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.680 0.540 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.989 0.763 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.331 3.274 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.050 2.935 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.864 2.025 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.155 2.413 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.452 4.159 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.714 4.756 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.370 4.380 6.088 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.251 -0.398 0.540 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.607 -0.758 0.088 1.00 0.00 C ATOM 1085 C ALA A 68 -15.690 -2.238 -0.227 1.00 0.00 C ATOM 1086 O ALA A 68 -16.707 -2.867 -0.006 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.933 0.046 -1.182 1.00 0.00 C ATOM 0 H ALA A 68 -13.685 0.118 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.319 -0.529 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.934 -0.210 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.888 1.112 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.208 -0.193 -1.960 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.621 -2.771 -0.736 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.624 -4.217 -1.069 1.00 0.00 C ATOM 1095 C ARG A 69 -14.733 -5.038 0.205 1.00 0.00 C ATOM 1096 O ARG A 69 -15.363 -6.074 0.230 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.300 -4.576 -1.772 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.208 -3.831 -3.117 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.314 -4.326 -4.085 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.405 -3.310 -4.115 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.382 -3.446 -4.967 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.382 -4.470 -5.774 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.329 -2.547 -4.985 1.00 0.00 N ATOM 0 H ARG A 69 -13.753 -2.274 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.471 -4.433 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.456 -4.307 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.245 -5.652 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.312 -2.758 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.227 -3.992 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.905 -4.472 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.703 -5.290 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.387 -2.516 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.624 -5.151 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.140 -4.590 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.295 -1.757 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.103 -2.634 -5.644 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.114 -4.551 1.246 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.164 -5.282 2.532 1.00 0.00 C ATOM 1119 C TYR A 70 -15.603 -5.453 2.994 1.00 0.00 C ATOM 1120 O TYR A 70 -15.992 -6.519 3.420 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.397 -4.460 3.584 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.493 -5.154 4.947 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.580 -4.937 5.771 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.489 -6.000 5.375 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.661 -5.555 7.000 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.572 -6.618 6.607 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.659 -6.401 7.427 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.740 -7.018 8.658 1.00 0.00 O ATOM 0 H TYR A 70 -13.580 -3.682 1.256 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.718 -6.268 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.353 -4.357 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.811 -3.454 3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.373 -4.278 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.633 -6.180 4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.516 -5.375 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.779 -7.276 6.931 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.949 -7.579 8.795 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.371 -4.397 2.896 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.782 -4.482 3.324 1.00 0.00 C ATOM 1140 C GLU A 71 -18.616 -5.239 2.303 1.00 0.00 C ATOM 1141 O GLU A 71 -19.644 -5.800 2.626 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.325 -3.057 3.444 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.424 -2.269 4.389 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.983 -0.856 4.570 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -19.156 -0.774 4.898 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.205 0.064 4.372 1.00 0.00 O ATOM 0 H GLU A 71 -16.075 -3.488 2.539 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.838 -5.011 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.354 -2.580 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.347 -3.073 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.362 -2.773 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.412 -2.222 3.988 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.153 -5.241 1.088 1.00 0.00 N ATOM 1154 CA ARG A 72 -18.898 -5.954 0.013 1.00 0.00 C ATOM 1155 C ARG A 72 -18.666 -7.462 0.060 1.00 0.00 C ATOM 1156 O ARG A 72 -19.464 -8.230 -0.441 1.00 0.00 O ATOM 1157 CB ARG A 72 -18.401 -5.423 -1.334 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.410 -5.793 -2.417 1.00 0.00 C ATOM 1159 CD ARG A 72 -18.992 -5.133 -3.713 1.00 0.00 C ATOM 1160 NE ARG A 72 -18.959 -3.657 -3.512 1.00 0.00 N ATOM 1161 CZ ARG A 72 -20.079 -2.987 -3.496 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -21.203 -3.633 -3.657 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -20.037 -1.696 -3.324 1.00 0.00 N ATOM 0 H ARG A 72 -17.292 -4.781 0.791 1.00 0.00 H new ATOM 0 HA ARG A 72 -19.964 -5.777 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.277 -4.341 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.425 -5.847 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.453 -6.875 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -20.409 -5.465 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.011 -5.494 -4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.690 -5.390 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.069 -3.174 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -21.195 -4.644 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -22.088 -3.126 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.139 -1.226 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.902 -1.155 -3.309 1.00 0.00 H new ATOM 1177 N GLU A 73 -17.585 -7.859 0.667 1.00 0.00 N ATOM 1178 CA GLU A 73 -17.281 -9.316 0.757 1.00 0.00 C ATOM 1179 C GLU A 73 -18.094 -9.988 1.863 1.00 0.00 C ATOM 1180 O GLU A 73 -18.395 -11.161 1.783 1.00 0.00 O ATOM 1181 CB GLU A 73 -15.778 -9.475 1.071 1.00 0.00 C ATOM 1182 CG GLU A 73 -14.976 -9.276 -0.217 1.00 0.00 C ATOM 1183 CD GLU A 73 -13.497 -9.108 0.131 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -12.951 -10.070 0.645 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -12.998 -8.028 -0.135 1.00 0.00 O ATOM 0 H GLU A 73 -16.900 -7.242 1.104 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.541 -9.790 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.471 -8.747 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.583 -10.463 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.111 -10.131 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.338 -8.398 -0.752 1.00 0.00 H new ATOM 1192 N MET A 74 -18.433 -9.236 2.873 1.00 0.00 N ATOM 1193 CA MET A 74 -19.220 -9.829 3.974 1.00 0.00 C ATOM 1194 C MET A 74 -20.588 -10.289 3.487 1.00 0.00 C ATOM 1195 O MET A 74 -21.282 -11.013 4.173 1.00 0.00 O ATOM 1196 CB MET A 74 -19.418 -8.765 5.069 1.00 0.00 C ATOM 1197 CG MET A 74 -18.054 -8.145 5.424 1.00 0.00 C ATOM 1198 SD MET A 74 -16.586 -9.182 5.200 1.00 0.00 S ATOM 1199 CE MET A 74 -16.608 -9.961 6.832 1.00 0.00 C ATOM 0 H MET A 74 -18.200 -8.249 2.978 1.00 0.00 H new ATOM 0 HA MET A 74 -18.680 -10.693 4.361 1.00 0.00 H new ATOM 0 HB2 MET A 74 -20.103 -7.992 4.722 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.868 -9.216 5.954 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.926 -7.245 4.823 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.088 -7.830 6.467 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.771 -10.655 6.915 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.522 -9.195 7.602 1.00 0.00 H new ATOM 0 HE3 MET A 74 -17.544 -10.504 6.963 1.00 0.00 H new ATOM 1209 N LYS A 75 -20.949 -9.863 2.311 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.263 -10.261 1.763 1.00 0.00 C ATOM 1211 C LYS A 75 -22.251 -11.704 1.270 1.00 0.00 C ATOM 1212 O LYS A 75 -23.234 -12.166 0.719 1.00 0.00 O ATOM 1213 CB LYS A 75 -22.590 -9.355 0.560 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.803 -7.906 1.036 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.621 -7.142 -0.018 1.00 0.00 C ATOM 1216 CE LYS A 75 -22.932 -7.263 -1.380 1.00 0.00 C ATOM 1217 NZ LYS A 75 -23.500 -6.275 -2.339 1.00 0.00 N ATOM 0 H LYS A 75 -20.389 -9.258 1.710 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.004 -10.165 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.778 -9.393 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.486 -9.716 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.324 -7.898 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.841 -7.417 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -24.632 -7.545 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.711 -6.093 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -21.861 -7.097 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.059 -8.273 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.023 -6.369 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.518 -6.452 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.357 -5.313 -1.972 1.00 0.00 H new ATOM 1231 N THR A 76 -21.133 -12.394 1.469 1.00 0.00 N ATOM 1232 CA THR A 76 -21.040 -13.827 1.008 1.00 0.00 C ATOM 1233 C THR A 76 -20.168 -14.677 1.931 1.00 0.00 C ATOM 1234 O THR A 76 -20.097 -15.880 1.770 1.00 0.00 O ATOM 1235 CB THR A 76 -20.396 -13.834 -0.386 1.00 0.00 C ATOM 1236 OG1 THR A 76 -19.113 -13.272 -0.205 1.00 0.00 O ATOM 1237 CG2 THR A 76 -21.111 -12.857 -1.333 1.00 0.00 C ATOM 0 H THR A 76 -20.296 -12.029 1.924 1.00 0.00 H new ATOM 0 HA THR A 76 -22.045 -14.249 1.006 1.00 0.00 H new ATOM 0 HB THR A 76 -20.419 -14.844 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 76 -18.642 -13.248 -1.064 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.633 -12.884 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.157 -13.146 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.051 -11.847 -0.927 1.00 0.00 H new ATOM 1245 N TYR A 77 -19.519 -14.059 2.882 1.00 0.00 N ATOM 1246 CA TYR A 77 -18.662 -14.858 3.794 1.00 0.00 C ATOM 1247 C TYR A 77 -19.525 -15.714 4.727 1.00 0.00 C ATOM 1248 O TYR A 77 -19.923 -16.790 4.357 1.00 0.00 O ATOM 1249 CB TYR A 77 -17.780 -13.893 4.619 1.00 0.00 C ATOM 1250 CG TYR A 77 -16.852 -14.701 5.544 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -15.992 -15.663 5.028 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -16.873 -14.497 6.908 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -15.183 -16.399 5.866 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.059 -15.235 7.741 1.00 0.00 C ATOM 1255 CZ TYR A 77 -15.213 -16.192 7.228 1.00 0.00 C ATOM 1256 OH TYR A 77 -14.428 -16.952 8.067 1.00 0.00 O ATOM 0 H TYR A 77 -19.546 -13.055 3.062 1.00 0.00 H new ATOM 0 HA TYR A 77 -18.031 -15.527 3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -17.188 -13.266 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -18.408 -13.226 5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.958 -15.835 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.533 -13.752 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.520 -17.144 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.085 -15.060 8.806 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.573 -16.671 8.995 1.00 0.00 H new ATOM 1266 N ILE A 78 -19.804 -15.199 5.913 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.647 -15.954 6.909 1.00 0.00 C ATOM 1268 C ILE A 78 -20.193 -17.450 7.073 1.00 0.00 C ATOM 1269 O ILE A 78 -20.626 -18.315 6.332 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.096 -15.932 6.410 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -22.591 -14.470 6.297 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.979 -16.665 7.451 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -21.991 -13.775 5.044 1.00 0.00 C ATOM 0 H ILE A 78 -19.482 -14.285 6.233 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.540 -15.473 7.881 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.155 -16.415 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.679 -14.454 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -22.311 -13.917 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -24.016 -16.661 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -22.636 -17.694 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -22.907 -16.156 8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.355 -12.749 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -20.903 -13.771 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -22.293 -14.317 4.148 1.00 0.00 H new ATOM 1285 N PRO A 79 -19.350 -17.742 8.076 1.00 0.00 N ATOM 1286 CA PRO A 79 -18.882 -19.117 8.284 1.00 0.00 C ATOM 1287 C PRO A 79 -20.039 -20.042 8.746 1.00 0.00 C ATOM 1288 O PRO A 79 -21.115 -19.573 9.061 1.00 0.00 O ATOM 1289 CB PRO A 79 -17.798 -19.005 9.407 1.00 0.00 C ATOM 1290 CG PRO A 79 -17.763 -17.507 9.869 1.00 0.00 C ATOM 1291 CD PRO A 79 -18.837 -16.752 9.043 1.00 0.00 C ATOM 0 HA PRO A 79 -18.490 -19.551 7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -18.041 -19.660 10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.822 -19.315 9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.971 -17.428 10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.776 -17.076 9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.635 -16.378 9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.407 -15.890 8.533 1.00 0.00 H new ATOM 1299 N PRO A 80 -19.782 -21.356 8.762 1.00 0.00 N ATOM 1300 CA PRO A 80 -20.794 -22.322 9.182 1.00 0.00 C ATOM 1301 C PRO A 80 -21.122 -22.151 10.672 1.00 0.00 C ATOM 1302 O PRO A 80 -20.890 -21.107 11.249 1.00 0.00 O ATOM 1303 CB PRO A 80 -20.147 -23.727 8.921 1.00 0.00 C ATOM 1304 CG PRO A 80 -18.664 -23.476 8.498 1.00 0.00 C ATOM 1305 CD PRO A 80 -18.490 -21.942 8.345 1.00 0.00 C ATOM 0 HA PRO A 80 -21.730 -22.193 8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -20.193 -24.345 9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -20.686 -24.260 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.977 -23.869 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.439 -23.985 7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -17.673 -21.575 8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.251 -21.675 7.316 1.00 0.00 H new ATOM 1313 N LYS A 81 -21.651 -23.185 11.252 1.00 0.00 N ATOM 1314 CA LYS A 81 -22.007 -23.132 12.691 1.00 0.00 C ATOM 1315 C LYS A 81 -20.779 -23.331 13.578 1.00 0.00 C ATOM 1316 O LYS A 81 -20.834 -24.019 14.578 1.00 0.00 O ATOM 1317 CB LYS A 81 -23.016 -24.258 12.976 1.00 0.00 C ATOM 1318 CG LYS A 81 -24.278 -24.016 12.145 1.00 0.00 C ATOM 1319 CD LYS A 81 -25.218 -25.215 12.295 1.00 0.00 C ATOM 1320 CE LYS A 81 -26.581 -24.866 11.692 1.00 0.00 C ATOM 1321 NZ LYS A 81 -27.577 -25.929 12.005 1.00 0.00 N ATOM 0 H LYS A 81 -21.854 -24.071 10.788 1.00 0.00 H new ATOM 0 HA LYS A 81 -22.430 -22.153 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -22.581 -25.226 12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -23.263 -24.283 14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -24.776 -23.105 12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -24.016 -23.873 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -24.798 -26.087 11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -25.329 -25.476 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -26.925 -23.910 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -26.489 -24.752 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -28.496 -25.677 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -27.254 -26.835 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -27.677 -26.018 13.036 1.00 0.00 H new ATOM 1335 N GLY A 82 -19.693 -22.723 13.196 1.00 0.00 N ATOM 1336 CA GLY A 82 -18.448 -22.865 14.009 1.00 0.00 C ATOM 1337 C GLY A 82 -17.847 -24.267 13.849 1.00 0.00 C ATOM 1338 O GLY A 82 -16.667 -24.463 14.058 1.00 0.00 O ATOM 0 H GLY A 82 -19.610 -22.138 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.720 -22.115 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.671 -22.678 15.059 1.00 0.00 H new ATOM 1342 N GLU A 83 -18.672 -25.213 13.487 1.00 0.00 N ATOM 1343 CA GLU A 83 -18.164 -26.599 13.312 1.00 0.00 C ATOM 1344 C GLU A 83 -19.143 -27.434 12.502 1.00 0.00 C ATOM 1345 O GLU A 83 -20.276 -26.996 12.405 1.00 0.00 O ATOM 1346 CB GLU A 83 -17.996 -27.237 14.702 1.00 0.00 C ATOM 1347 CG GLU A 83 -19.295 -27.068 15.498 1.00 0.00 C ATOM 1348 CD GLU A 83 -19.200 -27.876 16.796 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -18.357 -27.513 17.598 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -19.978 -28.808 16.909 1.00 0.00 O ATOM 1351 OXT GLU A 83 -18.706 -28.468 12.023 1.00 0.00 O ATOM 0 H GLU A 83 -19.668 -25.085 13.307 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.212 -26.565 12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.752 -28.295 14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.167 -26.768 15.232 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.463 -26.015 15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.145 -27.407 14.906 1.00 0.00 H new TER 1358 GLU A 83