USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 14 TYR OH : rot 136:sc= 0.313 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0.31,f=0.28) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= -0.043 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 67:sc= 0.0367 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.7) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.538 (180deg=-1.6!) USER MOD Single : A 29 THR OG1 : rot -114:sc= 1.3 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.737 12.422 5.538 1.00 0.00 N ATOM 2 CA GLY A 1 13.949 13.203 5.373 1.00 0.00 C ATOM 3 C GLY A 1 13.666 14.636 4.968 1.00 0.00 C ATOM 4 O GLY A 1 12.879 14.886 4.055 1.00 0.00 O ATOM 0 H1 GLY A 1 12.985 11.451 5.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.145 12.852 6.277 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.212 12.403 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.511 13.197 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.580 12.733 4.618 1.00 0.00 H new ATOM 8 N SER A 2 14.306 15.580 5.651 1.00 0.00 N ATOM 9 CA SER A 2 14.114 16.996 5.361 1.00 0.00 C ATOM 10 C SER A 2 14.457 17.304 3.907 1.00 0.00 C ATOM 11 O SER A 2 15.618 17.531 3.566 1.00 0.00 O ATOM 12 CB SER A 2 14.976 17.851 6.292 1.00 0.00 C ATOM 13 OG SER A 2 14.387 19.121 6.510 1.00 0.00 O ATOM 0 H SER A 2 14.962 15.390 6.409 1.00 0.00 H new ATOM 0 HA SER A 2 13.064 17.236 5.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.106 17.338 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.969 17.977 5.860 1.00 0.00 H new ATOM 0 HG SER A 2 14.956 19.647 7.109 1.00 0.00 H new ATOM 19 N SER A 3 13.438 17.311 3.053 1.00 0.00 N ATOM 20 CA SER A 3 13.631 17.588 1.634 1.00 0.00 C ATOM 21 C SER A 3 12.953 18.896 1.239 1.00 0.00 C ATOM 22 O SER A 3 11.820 19.166 1.635 1.00 0.00 O ATOM 23 CB SER A 3 13.079 16.438 0.789 1.00 0.00 C ATOM 24 OG SER A 3 13.826 15.251 0.992 1.00 0.00 O ATOM 0 H SER A 3 12.470 17.128 3.319 1.00 0.00 H new ATOM 0 HA SER A 3 14.701 17.684 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.034 16.262 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.106 16.712 -0.266 1.00 0.00 H new ATOM 0 HG SER A 3 13.691 14.932 1.909 1.00 0.00 H new ATOM 30 N GLY A 4 13.657 19.706 0.453 1.00 0.00 N ATOM 31 CA GLY A 4 13.108 20.977 0.017 1.00 0.00 C ATOM 32 C GLY A 4 11.750 20.827 -0.639 1.00 0.00 C ATOM 33 O GLY A 4 11.287 19.711 -0.876 1.00 0.00 O ATOM 0 H GLY A 4 14.597 19.505 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.022 21.645 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.798 21.446 -0.685 1.00 0.00 H new ATOM 37 N SER A 5 11.108 21.954 -0.931 1.00 0.00 N ATOM 38 CA SER A 5 9.791 21.943 -1.558 1.00 0.00 C ATOM 39 C SER A 5 9.866 21.368 -2.969 1.00 0.00 C ATOM 40 O SER A 5 9.125 20.449 -3.317 1.00 0.00 O ATOM 41 CB SER A 5 9.212 23.358 -1.602 1.00 0.00 C ATOM 42 OG SER A 5 10.127 24.266 -2.192 1.00 0.00 O ATOM 0 H SER A 5 11.478 22.886 -0.744 1.00 0.00 H new ATOM 0 HA SER A 5 9.137 21.309 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.281 23.356 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.969 23.687 -0.591 1.00 0.00 H new ATOM 0 HG SER A 5 9.732 25.163 -2.210 1.00 0.00 H new ATOM 48 N SER A 6 10.767 21.917 -3.778 1.00 0.00 N ATOM 49 CA SER A 6 10.938 21.462 -5.153 1.00 0.00 C ATOM 50 C SER A 6 9.597 21.067 -5.765 1.00 0.00 C ATOM 51 O SER A 6 9.497 20.068 -6.475 1.00 0.00 O ATOM 52 CB SER A 6 11.904 20.277 -5.204 1.00 0.00 C ATOM 53 OG SER A 6 13.181 20.638 -4.709 1.00 0.00 O ATOM 0 H SER A 6 11.390 22.677 -3.505 1.00 0.00 H new ATOM 0 HA SER A 6 11.354 22.286 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.503 19.451 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.995 19.922 -6.231 1.00 0.00 H new ATOM 0 HG SER A 6 13.779 19.863 -4.751 1.00 0.00 H new ATOM 59 N GLY A 7 8.568 21.861 -5.482 1.00 0.00 N ATOM 60 CA GLY A 7 7.247 21.579 -6.012 1.00 0.00 C ATOM 61 C GLY A 7 6.655 20.303 -5.445 1.00 0.00 C ATOM 62 O GLY A 7 7.169 19.211 -5.689 1.00 0.00 O ATOM 0 H GLY A 7 8.626 22.694 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.583 22.414 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.304 21.498 -7.098 1.00 0.00 H new ATOM 66 N ARG A 8 5.574 20.441 -4.685 1.00 0.00 N ATOM 67 CA ARG A 8 4.914 19.290 -4.079 1.00 0.00 C ATOM 68 C ARG A 8 3.586 18.999 -4.772 1.00 0.00 C ATOM 69 O ARG A 8 2.571 19.633 -4.484 1.00 0.00 O ATOM 70 CB ARG A 8 4.680 19.536 -2.588 1.00 0.00 C ATOM 71 CG ARG A 8 5.882 19.202 -1.720 1.00 0.00 C ATOM 72 CD ARG A 8 6.049 17.700 -1.552 1.00 0.00 C ATOM 73 NE ARG A 8 7.018 17.369 -0.511 1.00 0.00 N ATOM 74 CZ ARG A 8 7.193 16.142 -0.033 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.469 15.135 -0.501 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.095 15.921 0.915 1.00 0.00 N ATOM 0 H ARG A 8 5.136 21.338 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 8 5.565 18.424 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.414 20.582 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.828 18.940 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.783 19.621 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.766 19.668 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.086 17.254 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.370 17.263 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 8 7.592 18.121 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.775 15.301 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.606 14.194 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.654 16.693 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.229 14.979 1.282 1.00 0.00 H new ATOM 90 N LYS A 9 3.601 18.035 -5.687 1.00 0.00 N ATOM 91 CA LYS A 9 2.399 17.657 -6.421 1.00 0.00 C ATOM 92 C LYS A 9 1.273 17.280 -5.464 1.00 0.00 C ATOM 93 O LYS A 9 1.430 16.429 -4.588 1.00 0.00 O ATOM 94 CB LYS A 9 2.698 16.487 -7.361 1.00 0.00 C ATOM 95 CG LYS A 9 1.576 16.195 -8.343 1.00 0.00 C ATOM 96 CD LYS A 9 2.104 15.560 -9.619 1.00 0.00 C ATOM 97 CE LYS A 9 2.464 14.098 -9.407 1.00 0.00 C ATOM 98 NZ LYS A 9 2.299 13.300 -10.653 1.00 0.00 N ATOM 0 H LYS A 9 4.433 17.501 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 9 2.078 18.516 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.610 16.703 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.891 15.594 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.848 15.530 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.053 17.120 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.353 15.640 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.983 16.106 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.495 14.024 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.835 13.679 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.554 12.309 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.309 13.349 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.918 13.683 -11.395 1.00 0.00 H new ATOM 112 N PRO A 10 0.110 17.926 -5.633 1.00 0.00 N ATOM 113 CA PRO A 10 -1.066 17.672 -4.795 1.00 0.00 C ATOM 114 C PRO A 10 -1.677 16.300 -5.053 1.00 0.00 C ATOM 115 O PRO A 10 -2.685 15.935 -4.448 1.00 0.00 O ATOM 116 CB PRO A 10 -2.040 18.778 -5.207 1.00 0.00 C ATOM 117 CG PRO A 10 -1.639 19.139 -6.596 1.00 0.00 C ATOM 118 CD PRO A 10 -0.148 18.952 -6.657 1.00 0.00 C ATOM 0 HA PRO A 10 -0.819 17.677 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.072 18.430 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.970 19.636 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.142 18.504 -7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.913 20.168 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.176 18.624 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.382 19.879 -6.439 1.00 0.00 H new ATOM 126 N ARG A 11 -1.061 15.543 -5.956 1.00 0.00 N ATOM 127 CA ARG A 11 -1.546 14.210 -6.295 1.00 0.00 C ATOM 128 C ARG A 11 -0.508 13.149 -5.944 1.00 0.00 C ATOM 129 O ARG A 11 0.601 13.147 -6.481 1.00 0.00 O ATOM 130 CB ARG A 11 -1.889 14.132 -7.783 1.00 0.00 C ATOM 131 CG ARG A 11 -3.067 15.005 -8.184 1.00 0.00 C ATOM 132 CD ARG A 11 -4.387 14.266 -8.027 1.00 0.00 C ATOM 133 NE ARG A 11 -4.465 13.096 -8.897 1.00 0.00 N ATOM 134 CZ ARG A 11 -5.515 12.283 -8.943 1.00 0.00 C ATOM 135 NH1 ARG A 11 -6.570 12.513 -8.173 1.00 0.00 N ATOM 136 NH2 ARG A 11 -5.512 11.238 -9.761 1.00 0.00 N ATOM 0 H ARG A 11 -0.225 15.830 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.447 14.019 -5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.015 14.426 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.110 13.097 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.078 15.906 -7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.949 15.325 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.507 13.955 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.211 14.943 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.670 12.892 -9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.577 13.316 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.375 11.887 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.703 11.058 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.319 10.615 -9.795 1.00 0.00 H new ATOM 150 N THR A 12 -0.874 12.246 -5.039 1.00 0.00 N ATOM 151 CA THR A 12 0.026 11.181 -4.616 1.00 0.00 C ATOM 152 C THR A 12 -0.238 9.897 -5.394 1.00 0.00 C ATOM 153 O THR A 12 -1.316 9.713 -5.959 1.00 0.00 O ATOM 154 CB THR A 12 -0.115 10.892 -3.109 1.00 0.00 C ATOM 155 OG1 THR A 12 0.141 12.083 -2.356 1.00 0.00 O ATOM 156 CG2 THR A 12 0.846 9.796 -2.676 1.00 0.00 C ATOM 0 H THR A 12 -1.787 12.232 -4.585 1.00 0.00 H new ATOM 0 HA THR A 12 1.040 11.525 -4.820 1.00 0.00 H new ATOM 0 HB THR A 12 -1.134 10.555 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.048 11.892 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.728 9.610 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.630 8.883 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.870 10.109 -2.879 1.00 0.00 H new ATOM 164 N ILE A 13 0.753 9.012 -5.419 1.00 0.00 N ATOM 165 CA ILE A 13 0.626 7.744 -6.127 1.00 0.00 C ATOM 166 C ILE A 13 -0.698 7.061 -5.800 1.00 0.00 C ATOM 167 O ILE A 13 -1.163 6.197 -6.543 1.00 0.00 O ATOM 168 CB ILE A 13 1.783 6.788 -5.781 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.127 7.435 -6.121 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.621 5.470 -6.524 1.00 0.00 C ATOM 171 CD1 ILE A 13 4.318 6.663 -5.598 1.00 0.00 C ATOM 0 H ILE A 13 1.652 9.150 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 13 0.660 7.973 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 13 1.759 6.585 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.212 7.529 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.150 8.444 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.446 4.805 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.678 5.004 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.623 5.655 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.237 7.179 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.256 6.591 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.320 5.662 -6.029 1.00 0.00 H new ATOM 183 N TYR A 14 -1.301 7.457 -4.684 1.00 0.00 N ATOM 184 CA TYR A 14 -2.572 6.883 -4.258 1.00 0.00 C ATOM 185 C TYR A 14 -3.492 7.959 -3.689 1.00 0.00 C ATOM 186 O TYR A 14 -3.056 8.830 -2.937 1.00 0.00 O ATOM 187 CB TYR A 14 -2.337 5.792 -3.212 1.00 0.00 C ATOM 188 CG TYR A 14 -1.845 4.487 -3.797 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.513 4.323 -4.157 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.712 3.419 -3.990 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.060 3.133 -4.693 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.268 2.225 -4.524 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.941 2.087 -4.874 1.00 0.00 C ATOM 194 OH TYR A 14 -0.493 0.900 -5.406 1.00 0.00 O ATOM 0 H TYR A 14 -0.930 8.173 -4.059 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.054 6.443 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.610 6.150 -2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.267 5.611 -2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.180 5.139 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.752 3.524 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.978 3.022 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.956 1.405 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.860 0.151 -4.891 1.00 0.00 H new ATOM 204 N SER A 15 -4.768 7.890 -4.054 1.00 0.00 N ATOM 205 CA SER A 15 -5.751 8.859 -3.584 1.00 0.00 C ATOM 206 C SER A 15 -5.890 8.799 -2.066 1.00 0.00 C ATOM 207 O SER A 15 -5.697 7.748 -1.455 1.00 0.00 O ATOM 208 CB SER A 15 -7.107 8.602 -4.243 1.00 0.00 C ATOM 209 OG SER A 15 -7.026 8.746 -5.650 1.00 0.00 O ATOM 0 H SER A 15 -5.145 7.173 -4.674 1.00 0.00 H new ATOM 0 HA SER A 15 -5.404 9.855 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.450 7.597 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.846 9.298 -3.845 1.00 0.00 H new ATOM 0 HG SER A 15 -7.905 8.575 -6.048 1.00 0.00 H new ATOM 215 N SER A 16 -6.226 9.935 -1.463 1.00 0.00 N ATOM 216 CA SER A 16 -6.388 10.013 -0.016 1.00 0.00 C ATOM 217 C SER A 16 -7.391 8.974 0.476 1.00 0.00 C ATOM 218 O SER A 16 -7.196 8.352 1.520 1.00 0.00 O ATOM 219 CB SER A 16 -6.847 11.415 0.392 1.00 0.00 C ATOM 220 OG SER A 16 -8.018 11.793 -0.311 1.00 0.00 O ATOM 0 H SER A 16 -6.391 10.814 -1.954 1.00 0.00 H new ATOM 0 HA SER A 16 -5.422 9.806 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.039 11.440 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.052 12.134 0.193 1.00 0.00 H new ATOM 0 HG SER A 16 -8.292 12.691 -0.031 1.00 0.00 H new ATOM 226 N PHE A 17 -8.466 8.793 -0.284 1.00 0.00 N ATOM 227 CA PHE A 17 -9.501 7.830 0.073 1.00 0.00 C ATOM 228 C PHE A 17 -8.963 6.404 0.010 1.00 0.00 C ATOM 229 O PHE A 17 -9.292 5.568 0.851 1.00 0.00 O ATOM 230 CB PHE A 17 -10.706 7.975 -0.859 1.00 0.00 C ATOM 231 CG PHE A 17 -11.687 6.843 -0.752 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.348 5.571 -1.185 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.948 7.050 -0.217 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.248 4.527 -1.087 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.853 6.010 -0.117 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.502 4.747 -0.553 1.00 0.00 C ATOM 0 H PHE A 17 -8.643 9.301 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.815 8.035 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.218 8.911 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.353 8.043 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.369 5.393 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.227 8.035 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.971 3.540 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.833 6.185 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.208 3.933 -0.476 1.00 0.00 H new ATOM 246 N GLN A 18 -8.135 6.134 -0.994 1.00 0.00 N ATOM 247 CA GLN A 18 -7.553 4.809 -1.169 1.00 0.00 C ATOM 248 C GLN A 18 -6.456 4.557 -0.139 1.00 0.00 C ATOM 249 O GLN A 18 -6.248 3.424 0.297 1.00 0.00 O ATOM 250 CB GLN A 18 -6.986 4.660 -2.582 1.00 0.00 C ATOM 251 CG GLN A 18 -8.054 4.477 -3.649 1.00 0.00 C ATOM 252 CD GLN A 18 -7.484 4.494 -5.053 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.388 5.005 -5.285 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.226 3.933 -6.000 1.00 0.00 N ATOM 0 H GLN A 18 -7.852 6.815 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.341 4.071 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.392 5.542 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.310 3.805 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.571 3.532 -3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.798 5.268 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.129 3.521 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.893 3.914 -6.964 1.00 0.00 H new ATOM 263 N LEU A 19 -5.757 5.619 0.245 1.00 0.00 N ATOM 264 CA LEU A 19 -4.680 5.513 1.224 1.00 0.00 C ATOM 265 C LEU A 19 -5.239 5.284 2.625 1.00 0.00 C ATOM 266 O LEU A 19 -4.935 4.280 3.268 1.00 0.00 O ATOM 267 CB LEU A 19 -3.821 6.779 1.205 1.00 0.00 C ATOM 268 CG LEU A 19 -2.694 6.810 0.172 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.753 7.973 0.444 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.932 5.493 0.174 1.00 0.00 C ATOM 0 H LEU A 19 -5.916 6.563 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.060 4.657 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.473 7.634 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.384 6.912 2.194 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.135 6.950 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.957 7.979 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.308 8.910 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.319 7.865 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.134 5.533 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.502 5.323 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.613 4.678 -0.070 1.00 0.00 H new ATOM 282 N ALA A 20 -6.058 6.222 3.090 1.00 0.00 N ATOM 283 CA ALA A 20 -6.662 6.120 4.413 1.00 0.00 C ATOM 284 C ALA A 20 -6.955 4.668 4.772 1.00 0.00 C ATOM 285 O ALA A 20 -6.583 4.197 5.847 1.00 0.00 O ATOM 286 CB ALA A 20 -7.936 6.949 4.476 1.00 0.00 C ATOM 0 H ALA A 20 -6.318 7.060 2.571 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.951 6.510 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.377 6.864 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.701 7.994 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.645 6.584 3.732 1.00 0.00 H new ATOM 292 N ALA A 21 -7.626 3.963 3.867 1.00 0.00 N ATOM 293 CA ALA A 21 -7.968 2.563 4.089 1.00 0.00 C ATOM 294 C ALA A 21 -6.725 1.682 4.052 1.00 0.00 C ATOM 295 O ALA A 21 -6.493 0.879 4.957 1.00 0.00 O ATOM 296 CB ALA A 21 -8.979 2.097 3.052 1.00 0.00 C ATOM 0 H ALA A 21 -7.944 4.338 2.973 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.413 2.476 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.226 1.050 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.883 2.701 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.553 2.206 2.054 1.00 0.00 H new ATOM 302 N LEU A 22 -5.927 1.835 3.000 1.00 0.00 N ATOM 303 CA LEU A 22 -4.706 1.052 2.845 1.00 0.00 C ATOM 304 C LEU A 22 -3.855 1.114 4.110 1.00 0.00 C ATOM 305 O LEU A 22 -3.533 0.085 4.702 1.00 0.00 O ATOM 306 CB LEU A 22 -3.900 1.559 1.649 1.00 0.00 C ATOM 307 CG LEU A 22 -4.405 1.133 0.270 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.717 1.936 -0.823 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.184 -0.358 0.058 1.00 0.00 C ATOM 0 H LEU A 22 -6.104 2.494 2.242 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.989 0.014 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.879 2.648 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.871 1.217 1.759 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.475 1.333 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.089 1.619 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.927 2.996 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.641 1.769 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.549 -0.643 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.120 -0.582 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.725 -0.918 0.821 1.00 0.00 H new ATOM 321 N GLN A 23 -3.497 2.327 4.517 1.00 0.00 N ATOM 322 CA GLN A 23 -2.685 2.523 5.712 1.00 0.00 C ATOM 323 C GLN A 23 -3.361 1.912 6.935 1.00 0.00 C ATOM 324 O GLN A 23 -2.735 1.179 7.701 1.00 0.00 O ATOM 325 CB GLN A 23 -2.433 4.013 5.944 1.00 0.00 C ATOM 326 CG GLN A 23 -1.334 4.589 5.066 1.00 0.00 C ATOM 327 CD GLN A 23 -0.811 5.915 5.580 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.187 5.981 6.639 1.00 0.00 O ATOM 329 NE2 GLN A 23 -1.062 6.982 4.830 1.00 0.00 N ATOM 0 H GLN A 23 -3.756 3.189 4.037 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.730 2.020 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.357 4.562 5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.170 4.170 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.511 3.877 5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.715 4.721 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.583 6.882 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.734 7.901 5.125 1.00 0.00 H new ATOM 338 N ARG A 24 -4.641 2.220 7.113 1.00 0.00 N ATOM 339 CA ARG A 24 -5.401 1.703 8.245 1.00 0.00 C ATOM 340 C ARG A 24 -5.216 0.194 8.380 1.00 0.00 C ATOM 341 O ARG A 24 -5.062 -0.326 9.485 1.00 0.00 O ATOM 342 CB ARG A 24 -6.886 2.033 8.082 1.00 0.00 C ATOM 343 CG ARG A 24 -7.286 3.363 8.699 1.00 0.00 C ATOM 344 CD ARG A 24 -8.756 3.379 9.086 1.00 0.00 C ATOM 345 NE ARG A 24 -9.014 2.596 10.292 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.081 2.766 11.064 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.986 3.685 10.758 1.00 0.00 N ATOM 348 NH2 ARG A 24 -10.245 2.014 12.145 1.00 0.00 N ATOM 0 H ARG A 24 -5.174 2.825 6.488 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.027 2.180 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.132 2.046 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.478 1.239 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.675 3.555 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.086 4.168 7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.077 4.408 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.352 2.984 8.263 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.338 1.879 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.864 4.264 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.804 3.813 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.551 1.305 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.065 2.145 12.738 1.00 0.00 H new ATOM 362 N ARG A 25 -5.234 -0.503 7.248 1.00 0.00 N ATOM 363 CA ARG A 25 -5.070 -1.951 7.240 1.00 0.00 C ATOM 364 C ARG A 25 -3.600 -2.333 7.394 1.00 0.00 C ATOM 365 O ARG A 25 -3.266 -3.284 8.101 1.00 0.00 O ATOM 366 CB ARG A 25 -5.629 -2.542 5.945 1.00 0.00 C ATOM 367 CG ARG A 25 -5.843 -4.046 6.004 1.00 0.00 C ATOM 368 CD ARG A 25 -6.509 -4.463 7.305 1.00 0.00 C ATOM 369 NE ARG A 25 -7.168 -5.762 7.192 1.00 0.00 N ATOM 370 CZ ARG A 25 -8.313 -5.951 6.545 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.922 -4.930 5.958 1.00 0.00 N ATOM 372 NH2 ARG A 25 -8.850 -7.162 6.485 1.00 0.00 N ATOM 0 H ARG A 25 -5.361 -0.088 6.325 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.624 -2.359 8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.578 -2.057 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.947 -2.313 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.459 -4.360 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.884 -4.555 5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.762 -4.503 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.241 -3.709 7.595 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.725 -6.568 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.512 -3.997 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.801 -5.077 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.384 -7.949 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.729 -7.306 5.988 1.00 0.00 H new ATOM 386 N PHE A 26 -2.728 -1.585 6.727 1.00 0.00 N ATOM 387 CA PHE A 26 -1.294 -1.846 6.788 1.00 0.00 C ATOM 388 C PHE A 26 -0.793 -1.797 8.228 1.00 0.00 C ATOM 389 O PHE A 26 -0.139 -2.727 8.700 1.00 0.00 O ATOM 390 CB PHE A 26 -0.533 -0.828 5.936 1.00 0.00 C ATOM 391 CG PHE A 26 0.923 -1.158 5.766 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.317 -2.418 5.347 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.897 -0.208 6.026 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.655 -2.725 5.189 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.237 -0.509 5.869 1.00 0.00 C ATOM 396 CZ PHE A 26 3.616 -1.769 5.452 1.00 0.00 C ATOM 0 H PHE A 26 -2.988 -0.794 6.138 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.115 -2.846 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.001 -0.767 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.623 0.157 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.569 -3.170 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.606 0.779 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.949 -3.711 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.987 0.241 6.072 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.663 -2.007 5.332 1.00 0.00 H new ATOM 406 N GLN A 27 -1.105 -0.706 8.920 1.00 0.00 N ATOM 407 CA GLN A 27 -0.686 -0.536 10.306 1.00 0.00 C ATOM 408 C GLN A 27 -1.124 -1.723 11.158 1.00 0.00 C ATOM 409 O GLN A 27 -0.509 -2.029 12.180 1.00 0.00 O ATOM 410 CB GLN A 27 -1.262 0.759 10.880 1.00 0.00 C ATOM 411 CG GLN A 27 -2.782 0.808 10.865 1.00 0.00 C ATOM 412 CD GLN A 27 -3.342 1.837 11.826 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.507 1.567 13.016 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.639 3.026 11.315 1.00 0.00 N ATOM 0 H GLN A 27 -1.646 0.073 8.544 1.00 0.00 H new ATOM 0 HA GLN A 27 0.402 -0.481 10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.913 0.879 11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.874 1.603 10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.124 1.035 9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.176 -0.175 11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.486 3.207 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.020 3.758 11.915 1.00 0.00 H new ATOM 423 N LYS A 28 -2.192 -2.388 10.731 1.00 0.00 N ATOM 424 CA LYS A 28 -2.714 -3.543 11.453 1.00 0.00 C ATOM 425 C LYS A 28 -1.906 -4.796 11.131 1.00 0.00 C ATOM 426 O LYS A 28 -1.421 -5.483 12.031 1.00 0.00 O ATOM 427 CB LYS A 28 -4.186 -3.767 11.101 1.00 0.00 C ATOM 428 CG LYS A 28 -5.129 -2.784 11.772 1.00 0.00 C ATOM 429 CD LYS A 28 -5.546 -3.264 13.152 1.00 0.00 C ATOM 430 CE LYS A 28 -6.765 -4.170 13.082 1.00 0.00 C ATOM 431 NZ LYS A 28 -6.398 -5.568 12.722 1.00 0.00 N ATOM 0 H LYS A 28 -2.713 -2.147 9.888 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.629 -3.342 12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.307 -3.694 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.469 -4.781 11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.643 -1.812 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.014 -2.646 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.719 -3.800 13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.766 -2.405 13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.277 -4.165 14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.467 -3.778 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.077 -6.227 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.419 -5.677 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.442 -5.777 13.073 1.00 0.00 H new ATOM 445 N THR A 29 -1.764 -5.088 9.842 1.00 0.00 N ATOM 446 CA THR A 29 -1.015 -6.259 9.402 1.00 0.00 C ATOM 447 C THR A 29 -0.223 -5.960 8.134 1.00 0.00 C ATOM 448 O THR A 29 -0.743 -5.357 7.195 1.00 0.00 O ATOM 449 CB THR A 29 -1.947 -7.457 9.141 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.195 -8.557 8.615 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.053 -7.080 8.168 1.00 0.00 C ATOM 0 H THR A 29 -2.158 -4.530 9.084 1.00 0.00 H new ATOM 0 HA THR A 29 -0.325 -6.514 10.207 1.00 0.00 H new ATOM 0 HB THR A 29 -2.402 -7.748 10.088 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.476 -8.734 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.698 -7.942 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.641 -6.262 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.613 -6.765 7.222 1.00 0.00 H new ATOM 459 N GLN A 30 1.035 -6.386 8.113 1.00 0.00 N ATOM 460 CA GLN A 30 1.898 -6.163 6.958 1.00 0.00 C ATOM 461 C GLN A 30 1.575 -7.148 5.840 1.00 0.00 C ATOM 462 O GLN A 30 1.779 -6.854 4.662 1.00 0.00 O ATOM 463 CB GLN A 30 3.368 -6.293 7.361 1.00 0.00 C ATOM 464 CG GLN A 30 3.890 -5.103 8.150 1.00 0.00 C ATOM 465 CD GLN A 30 3.662 -5.246 9.642 1.00 0.00 C ATOM 466 OE1 GLN A 30 4.130 -6.200 10.264 1.00 0.00 O ATOM 467 NE2 GLN A 30 2.939 -4.297 10.224 1.00 0.00 N ATOM 0 H GLN A 30 1.480 -6.887 8.882 1.00 0.00 H new ATOM 0 HA GLN A 30 1.718 -5.153 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.494 -7.197 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.973 -6.416 6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.957 -4.985 7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.401 -4.195 7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.571 -3.524 9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.752 -4.341 11.226 1.00 0.00 H new ATOM 476 N TYR A 31 1.072 -8.319 6.216 1.00 0.00 N ATOM 477 CA TYR A 31 0.724 -9.349 5.245 1.00 0.00 C ATOM 478 C TYR A 31 -0.790 -9.504 5.134 1.00 0.00 C ATOM 479 O TYR A 31 -1.500 -9.519 6.140 1.00 0.00 O ATOM 480 CB TYR A 31 1.357 -10.685 5.638 1.00 0.00 C ATOM 481 CG TYR A 31 2.788 -10.560 6.111 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.770 -10.030 5.284 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.158 -10.973 7.385 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.079 -9.915 5.711 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.463 -10.861 7.822 1.00 0.00 C ATOM 486 CZ TYR A 31 5.420 -10.331 6.981 1.00 0.00 C ATOM 487 OH TYR A 31 6.722 -10.219 7.412 1.00 0.00 O ATOM 0 H TYR A 31 0.896 -8.578 7.187 1.00 0.00 H new ATOM 0 HA TYR A 31 1.112 -9.042 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.761 -11.142 6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.323 -11.359 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.506 -9.702 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.411 -11.389 8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.830 -9.502 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.733 -11.186 8.816 1.00 0.00 H new ATOM 0 HH TYR A 31 6.793 -10.556 8.330 1.00 0.00 H new ATOM 497 N LEU A 32 -1.277 -9.621 3.904 1.00 0.00 N ATOM 498 CA LEU A 32 -2.707 -9.776 3.659 1.00 0.00 C ATOM 499 C LEU A 32 -2.999 -11.101 2.961 1.00 0.00 C ATOM 500 O LEU A 32 -2.309 -11.481 2.016 1.00 0.00 O ATOM 501 CB LEU A 32 -3.228 -8.615 2.811 1.00 0.00 C ATOM 502 CG LEU A 32 -3.186 -7.234 3.466 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.551 -6.154 2.459 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.121 -7.184 4.666 1.00 0.00 C ATOM 0 H LEU A 32 -0.703 -9.612 3.061 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.218 -9.773 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.648 -8.576 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.259 -8.831 2.530 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.170 -7.049 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.516 -5.178 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.842 -6.174 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.557 -6.335 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.078 -6.194 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.141 -7.391 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.815 -7.932 5.397 1.00 0.00 H new ATOM 516 N ALA A 33 -4.027 -11.798 3.434 1.00 0.00 N ATOM 517 CA ALA A 33 -4.413 -13.078 2.853 1.00 0.00 C ATOM 518 C ALA A 33 -5.083 -12.886 1.497 1.00 0.00 C ATOM 519 O ALA A 33 -5.196 -11.764 1.002 1.00 0.00 O ATOM 520 CB ALA A 33 -5.338 -13.830 3.799 1.00 0.00 C ATOM 0 H ALA A 33 -4.607 -11.498 4.217 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.509 -13.667 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.618 -14.784 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.825 -14.009 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.234 -13.237 3.979 1.00 0.00 H new ATOM 526 N LEU A 34 -5.527 -13.987 0.900 1.00 0.00 N ATOM 527 CA LEU A 34 -6.186 -13.939 -0.401 1.00 0.00 C ATOM 528 C LEU A 34 -7.407 -13.026 -0.360 1.00 0.00 C ATOM 529 O LEU A 34 -7.493 -12.031 -1.080 1.00 0.00 O ATOM 530 CB LEU A 34 -6.602 -15.346 -0.835 1.00 0.00 C ATOM 531 CG LEU A 34 -7.886 -15.441 -1.659 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.705 -14.769 -3.011 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.299 -16.895 -1.836 1.00 0.00 C ATOM 0 H LEU A 34 -5.443 -14.923 1.296 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.478 -13.535 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.788 -15.781 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.721 -15.960 0.058 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.679 -14.921 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.630 -14.847 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.457 -13.718 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.899 -15.260 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.215 -16.944 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.507 -17.438 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.472 -17.346 -0.859 1.00 0.00 H new ATOM 545 N PRO A 35 -8.373 -13.368 0.505 1.00 0.00 N ATOM 546 CA PRO A 35 -9.605 -12.590 0.663 1.00 0.00 C ATOM 547 C PRO A 35 -9.357 -11.238 1.324 1.00 0.00 C ATOM 548 O PRO A 35 -10.090 -10.279 1.089 1.00 0.00 O ATOM 549 CB PRO A 35 -10.470 -13.475 1.564 1.00 0.00 C ATOM 550 CG PRO A 35 -9.497 -14.308 2.324 1.00 0.00 C ATOM 551 CD PRO A 35 -8.337 -14.540 1.395 1.00 0.00 C ATOM 0 HA PRO A 35 -10.065 -12.356 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.086 -12.875 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.148 -14.095 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.174 -13.800 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.947 -15.252 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.394 -14.603 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.448 -15.471 0.839 1.00 0.00 H new ATOM 559 N GLU A 36 -8.319 -11.172 2.152 1.00 0.00 N ATOM 560 CA GLU A 36 -7.975 -9.937 2.847 1.00 0.00 C ATOM 561 C GLU A 36 -7.447 -8.891 1.869 1.00 0.00 C ATOM 562 O GLU A 36 -7.881 -7.739 1.882 1.00 0.00 O ATOM 563 CB GLU A 36 -6.931 -10.210 3.932 1.00 0.00 C ATOM 564 CG GLU A 36 -7.534 -10.563 5.281 1.00 0.00 C ATOM 565 CD GLU A 36 -8.768 -11.436 5.158 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.850 -10.895 4.849 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.651 -12.661 5.372 1.00 0.00 O ATOM 0 H GLU A 36 -7.702 -11.958 2.358 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.880 -9.549 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.286 -11.026 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.298 -9.330 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.787 -11.079 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.794 -9.646 5.810 1.00 0.00 H new ATOM 574 N ARG A 37 -6.508 -9.301 1.023 1.00 0.00 N ATOM 575 CA ARG A 37 -5.919 -8.401 0.040 1.00 0.00 C ATOM 576 C ARG A 37 -6.962 -7.953 -0.980 1.00 0.00 C ATOM 577 O ARG A 37 -7.012 -6.783 -1.358 1.00 0.00 O ATOM 578 CB ARG A 37 -4.752 -9.084 -0.674 1.00 0.00 C ATOM 579 CG ARG A 37 -4.275 -8.340 -1.912 1.00 0.00 C ATOM 580 CD ARG A 37 -3.196 -9.118 -2.648 1.00 0.00 C ATOM 581 NE ARG A 37 -3.408 -10.561 -2.565 1.00 0.00 N ATOM 582 CZ ARG A 37 -2.993 -11.308 -1.548 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.348 -10.751 -0.532 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.224 -12.614 -1.545 1.00 0.00 N ATOM 0 H ARG A 37 -6.139 -10.252 0.999 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.549 -7.521 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.920 -9.184 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.052 -10.092 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.118 -8.165 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.888 -7.363 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.180 -8.814 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.221 -8.870 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.902 -11.020 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.170 -9.747 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.030 -11.327 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.721 -13.046 -2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.905 -13.187 -0.764 1.00 0.00 H new ATOM 598 N ALA A 38 -7.791 -8.892 -1.422 1.00 0.00 N ATOM 599 CA ALA A 38 -8.833 -8.594 -2.397 1.00 0.00 C ATOM 600 C ALA A 38 -9.793 -7.534 -1.868 1.00 0.00 C ATOM 601 O ALA A 38 -10.172 -6.612 -2.590 1.00 0.00 O ATOM 602 CB ALA A 38 -9.592 -9.861 -2.762 1.00 0.00 C ATOM 0 H ALA A 38 -7.762 -9.866 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.355 -8.199 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.367 -9.624 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.902 -10.588 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.052 -10.280 -1.867 1.00 0.00 H new ATOM 608 N GLU A 39 -10.182 -7.672 -0.604 1.00 0.00 N ATOM 609 CA GLU A 39 -11.099 -6.726 0.019 1.00 0.00 C ATOM 610 C GLU A 39 -10.699 -5.288 -0.301 1.00 0.00 C ATOM 611 O GLU A 39 -11.535 -4.472 -0.692 1.00 0.00 O ATOM 612 CB GLU A 39 -11.128 -6.932 1.535 1.00 0.00 C ATOM 613 CG GLU A 39 -11.937 -8.143 1.969 1.00 0.00 C ATOM 614 CD GLU A 39 -13.406 -7.820 2.170 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.715 -6.672 2.549 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.245 -8.718 1.948 1.00 0.00 O ATOM 0 H GLU A 39 -9.876 -8.429 0.007 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.095 -6.907 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.106 -7.039 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.542 -6.041 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.840 -8.928 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.525 -8.537 2.898 1.00 0.00 H new ATOM 623 N LEU A 40 -9.417 -4.986 -0.133 1.00 0.00 N ATOM 624 CA LEU A 40 -8.904 -3.647 -0.404 1.00 0.00 C ATOM 625 C LEU A 40 -9.050 -3.297 -1.881 1.00 0.00 C ATOM 626 O LEU A 40 -9.340 -2.154 -2.233 1.00 0.00 O ATOM 627 CB LEU A 40 -7.436 -3.547 0.013 1.00 0.00 C ATOM 628 CG LEU A 40 -7.096 -4.080 1.406 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.740 -3.562 1.859 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.178 -3.693 2.403 1.00 0.00 C ATOM 0 H LEU A 40 -8.713 -5.650 0.190 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.489 -2.936 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.834 -4.087 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.135 -2.501 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.048 -5.168 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.515 -3.951 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.972 -3.890 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.759 -2.473 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.920 -4.080 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.258 -2.607 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.132 -4.114 2.086 1.00 0.00 H new ATOM 642 N ALA A 41 -8.848 -4.289 -2.742 1.00 0.00 N ATOM 643 CA ALA A 41 -8.961 -4.087 -4.181 1.00 0.00 C ATOM 644 C ALA A 41 -10.422 -4.017 -4.613 1.00 0.00 C ATOM 645 O ALA A 41 -10.741 -3.479 -5.673 1.00 0.00 O ATOM 646 CB ALA A 41 -8.241 -5.200 -4.929 1.00 0.00 C ATOM 0 H ALA A 41 -8.605 -5.241 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.490 -3.135 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.334 -5.036 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.187 -5.202 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.686 -6.160 -4.669 1.00 0.00 H new ATOM 652 N ALA A 42 -11.306 -4.564 -3.785 1.00 0.00 N ATOM 653 CA ALA A 42 -12.733 -4.562 -4.080 1.00 0.00 C ATOM 654 C ALA A 42 -13.420 -3.347 -3.465 1.00 0.00 C ATOM 655 O ALA A 42 -14.413 -2.849 -3.994 1.00 0.00 O ATOM 656 CB ALA A 42 -13.378 -5.845 -3.579 1.00 0.00 C ATOM 0 H ALA A 42 -11.058 -5.014 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.854 -4.506 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.444 -5.829 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.915 -6.701 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.238 -5.926 -2.501 1.00 0.00 H new ATOM 662 N SER A 43 -12.883 -2.874 -2.344 1.00 0.00 N ATOM 663 CA SER A 43 -13.447 -1.720 -1.655 1.00 0.00 C ATOM 664 C SER A 43 -12.842 -0.423 -2.182 1.00 0.00 C ATOM 665 O SER A 43 -13.562 0.497 -2.574 1.00 0.00 O ATOM 666 CB SER A 43 -13.207 -1.832 -0.148 1.00 0.00 C ATOM 667 OG SER A 43 -14.261 -2.536 0.486 1.00 0.00 O ATOM 0 H SER A 43 -12.059 -3.272 -1.895 1.00 0.00 H new ATOM 0 HA SER A 43 -14.520 -1.703 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.262 -2.343 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.120 -0.835 0.284 1.00 0.00 H new ATOM 0 HG SER A 43 -14.083 -2.595 1.448 1.00 0.00 H new ATOM 673 N LEU A 44 -11.516 -0.356 -2.190 1.00 0.00 N ATOM 674 CA LEU A 44 -10.812 0.828 -2.670 1.00 0.00 C ATOM 675 C LEU A 44 -10.963 0.977 -4.180 1.00 0.00 C ATOM 676 O LEU A 44 -10.807 2.069 -4.726 1.00 0.00 O ATOM 677 CB LEU A 44 -9.330 0.749 -2.300 1.00 0.00 C ATOM 678 CG LEU A 44 -9.019 0.379 -0.849 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.518 0.386 -0.606 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.721 1.332 0.107 1.00 0.00 C ATOM 0 H LEU A 44 -10.906 -1.108 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.254 1.702 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.852 0.017 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.871 1.714 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.391 -0.629 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.316 0.120 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.039 -0.338 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.121 1.380 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.488 1.053 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.380 2.351 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.798 1.276 -0.049 1.00 0.00 H new ATOM 692 N GLY A 45 -11.269 -0.130 -4.851 1.00 0.00 N ATOM 693 CA GLY A 45 -11.439 -0.101 -6.292 1.00 0.00 C ATOM 694 C GLY A 45 -10.150 -0.396 -7.034 1.00 0.00 C ATOM 695 O GLY A 45 -10.051 -0.164 -8.240 1.00 0.00 O ATOM 0 H GLY A 45 -11.402 -1.046 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.196 -0.831 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.811 0.879 -6.591 1.00 0.00 H new ATOM 699 N LEU A 46 -9.158 -0.907 -6.313 1.00 0.00 N ATOM 700 CA LEU A 46 -7.867 -1.233 -6.909 1.00 0.00 C ATOM 701 C LEU A 46 -7.760 -2.727 -7.192 1.00 0.00 C ATOM 702 O LEU A 46 -8.680 -3.493 -6.903 1.00 0.00 O ATOM 703 CB LEU A 46 -6.731 -0.795 -5.984 1.00 0.00 C ATOM 704 CG LEU A 46 -6.798 0.645 -5.473 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.162 0.754 -4.096 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.117 1.590 -6.453 1.00 0.00 C ATOM 0 H LEU A 46 -9.223 -1.105 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.785 -0.696 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.712 -1.464 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.787 -0.928 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.846 0.932 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.219 1.786 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.693 0.107 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.117 0.448 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.174 2.610 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.072 1.303 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.617 1.534 -7.420 1.00 0.00 H new ATOM 718 N THR A 47 -6.629 -3.138 -7.758 1.00 0.00 N ATOM 719 CA THR A 47 -6.401 -4.541 -8.080 1.00 0.00 C ATOM 720 C THR A 47 -5.346 -5.150 -7.163 1.00 0.00 C ATOM 721 O THR A 47 -4.536 -4.436 -6.575 1.00 0.00 O ATOM 722 CB THR A 47 -5.956 -4.717 -9.544 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.842 -6.109 -9.858 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.624 -4.025 -9.791 1.00 0.00 C ATOM 0 H THR A 47 -5.857 -2.518 -8.003 1.00 0.00 H new ATOM 0 HA THR A 47 -7.349 -5.058 -7.933 1.00 0.00 H new ATOM 0 HB THR A 47 -6.709 -4.261 -10.187 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.560 -6.212 -10.791 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.330 -4.163 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.722 -2.960 -9.580 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.864 -4.455 -9.139 1.00 0.00 H new ATOM 732 N GLN A 48 -5.363 -6.474 -7.048 1.00 0.00 N ATOM 733 CA GLN A 48 -4.407 -7.179 -6.202 1.00 0.00 C ATOM 734 C GLN A 48 -2.975 -6.812 -6.577 1.00 0.00 C ATOM 735 O GLN A 48 -2.061 -6.915 -5.757 1.00 0.00 O ATOM 736 CB GLN A 48 -4.606 -8.691 -6.321 1.00 0.00 C ATOM 737 CG GLN A 48 -5.902 -9.185 -5.698 1.00 0.00 C ATOM 738 CD GLN A 48 -6.242 -10.605 -6.106 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.528 -11.224 -6.896 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.336 -11.130 -5.569 1.00 0.00 N ATOM 0 H GLN A 48 -6.028 -7.080 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.582 -6.877 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.590 -8.969 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.767 -9.198 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.822 -9.132 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.717 -8.522 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.899 -10.581 -4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.614 -12.082 -5.807 1.00 0.00 H new ATOM 749 N THR A 49 -2.785 -6.383 -7.821 1.00 0.00 N ATOM 750 CA THR A 49 -1.464 -6.002 -8.305 1.00 0.00 C ATOM 751 C THR A 49 -1.054 -4.637 -7.765 1.00 0.00 C ATOM 752 O THR A 49 0.131 -4.307 -7.723 1.00 0.00 O ATOM 753 CB THR A 49 -1.418 -5.968 -9.844 1.00 0.00 C ATOM 754 OG1 THR A 49 -2.079 -7.120 -10.379 1.00 0.00 O ATOM 755 CG2 THR A 49 0.019 -5.925 -10.341 1.00 0.00 C ATOM 0 H THR A 49 -3.530 -6.291 -8.512 1.00 0.00 H new ATOM 0 HA THR A 49 -0.765 -6.757 -7.945 1.00 0.00 H new ATOM 0 HB THR A 49 -1.930 -5.067 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.047 -7.090 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.027 -5.902 -11.431 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.511 -5.032 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.551 -6.811 -9.994 1.00 0.00 H new ATOM 763 N GLN A 50 -2.041 -3.848 -7.353 1.00 0.00 N ATOM 764 CA GLN A 50 -1.781 -2.517 -6.816 1.00 0.00 C ATOM 765 C GLN A 50 -1.631 -2.562 -5.298 1.00 0.00 C ATOM 766 O GLN A 50 -0.733 -1.937 -4.734 1.00 0.00 O ATOM 767 CB GLN A 50 -2.909 -1.559 -7.200 1.00 0.00 C ATOM 768 CG GLN A 50 -2.768 -0.984 -8.600 1.00 0.00 C ATOM 769 CD GLN A 50 -3.352 0.410 -8.720 1.00 0.00 C ATOM 770 OE1 GLN A 50 -2.797 1.375 -8.194 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.478 0.523 -9.415 1.00 0.00 N ATOM 0 H GLN A 50 -3.027 -4.107 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.846 -2.156 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.861 -2.084 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.940 -0.740 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.713 -0.957 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.264 -1.644 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.904 -0.304 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.917 1.437 -9.530 1.00 0.00 H new ATOM 780 N VAL A 51 -2.517 -3.306 -4.643 1.00 0.00 N ATOM 781 CA VAL A 51 -2.483 -3.433 -3.191 1.00 0.00 C ATOM 782 C VAL A 51 -1.297 -4.279 -2.741 1.00 0.00 C ATOM 783 O VAL A 51 -0.864 -4.199 -1.591 1.00 0.00 O ATOM 784 CB VAL A 51 -3.782 -4.062 -2.652 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.639 -4.401 -1.177 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.961 -3.128 -2.882 1.00 0.00 C ATOM 0 H VAL A 51 -3.267 -3.830 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.381 -2.426 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.970 -4.988 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.566 -4.844 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.822 -5.110 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.426 -3.492 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.870 -3.588 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.784 -2.184 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.075 -2.942 -3.950 1.00 0.00 H new ATOM 796 N LYS A 52 -0.775 -5.089 -3.655 1.00 0.00 N ATOM 797 CA LYS A 52 0.363 -5.950 -3.355 1.00 0.00 C ATOM 798 C LYS A 52 1.657 -5.144 -3.304 1.00 0.00 C ATOM 799 O LYS A 52 2.441 -5.270 -2.363 1.00 0.00 O ATOM 800 CB LYS A 52 0.481 -7.058 -4.403 1.00 0.00 C ATOM 801 CG LYS A 52 -0.257 -8.332 -4.028 1.00 0.00 C ATOM 802 CD LYS A 52 0.126 -9.487 -4.939 1.00 0.00 C ATOM 803 CE LYS A 52 -0.715 -9.499 -6.206 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.545 -10.765 -6.972 1.00 0.00 N ATOM 0 H LYS A 52 -1.122 -5.168 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 52 0.197 -6.400 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.094 -6.690 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.535 -7.290 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.032 -8.593 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.332 -8.162 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.181 -9.410 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.002 -10.430 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.766 -9.370 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.436 -8.654 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.134 -10.734 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.453 -10.876 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.835 -11.570 -6.381 1.00 0.00 H new ATOM 818 N ILE A 53 1.872 -4.314 -4.319 1.00 0.00 N ATOM 819 CA ILE A 53 3.069 -3.485 -4.388 1.00 0.00 C ATOM 820 C ILE A 53 3.069 -2.428 -3.290 1.00 0.00 C ATOM 821 O ILE A 53 4.103 -2.149 -2.683 1.00 0.00 O ATOM 822 CB ILE A 53 3.194 -2.789 -5.756 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.190 -3.824 -6.882 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.460 -1.946 -5.807 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.112 -3.214 -8.264 1.00 0.00 C ATOM 0 H ILE A 53 1.233 -4.198 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 53 3.922 -4.150 -4.249 1.00 0.00 H new ATOM 0 HB ILE A 53 2.336 -2.130 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.094 -4.429 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.344 -4.497 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.535 -1.460 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.424 -1.188 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.329 -2.585 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.113 -4.007 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.195 -2.632 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.972 -2.563 -8.423 1.00 0.00 H new ATOM 837 N TRP A 54 1.903 -1.844 -3.038 1.00 0.00 N ATOM 838 CA TRP A 54 1.768 -0.818 -2.011 1.00 0.00 C ATOM 839 C TRP A 54 2.232 -1.340 -0.655 1.00 0.00 C ATOM 840 O TRP A 54 2.939 -0.649 0.079 1.00 0.00 O ATOM 841 CB TRP A 54 0.316 -0.346 -1.920 1.00 0.00 C ATOM 842 CG TRP A 54 0.118 0.785 -0.956 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.095 2.098 -1.267 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.118 0.704 0.473 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.229 2.837 -0.116 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.103 2.005 0.964 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.280 -0.342 1.385 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.163 2.286 2.327 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.220 -0.062 2.737 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.001 1.243 3.198 1.00 0.00 C ATOM 0 H TRP A 54 1.037 -2.064 -3.531 1.00 0.00 H new ATOM 0 HA TRP A 54 2.400 0.025 -2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.020 -0.034 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.313 -1.184 -1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.150 2.496 -2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.395 3.842 -0.073 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.449 -1.351 1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.331 3.291 2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.346 -0.863 3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.044 1.429 4.261 1.00 0.00 H new ATOM 861 N PHE A 55 1.830 -2.564 -0.329 1.00 0.00 N ATOM 862 CA PHE A 55 2.204 -3.178 0.940 1.00 0.00 C ATOM 863 C PHE A 55 3.676 -3.584 0.935 1.00 0.00 C ATOM 864 O PHE A 55 4.434 -3.215 1.831 1.00 0.00 O ATOM 865 CB PHE A 55 1.328 -4.402 1.217 1.00 0.00 C ATOM 866 CG PHE A 55 0.050 -4.073 1.934 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.953 -3.358 1.298 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.150 -4.480 3.243 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.129 -3.054 1.956 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.325 -4.179 3.906 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.316 -3.466 3.261 1.00 0.00 C ATOM 0 H PHE A 55 1.246 -3.150 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 55 2.050 -2.443 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.090 -4.890 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.895 -5.118 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.813 -3.035 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.621 -5.039 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.902 -2.494 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.468 -4.501 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.236 -3.231 3.776 1.00 0.00 H new ATOM 881 N GLN A 56 4.070 -4.344 -0.081 1.00 0.00 N ATOM 882 CA GLN A 56 5.450 -4.800 -0.203 1.00 0.00 C ATOM 883 C GLN A 56 6.419 -3.625 -0.142 1.00 0.00 C ATOM 884 O GLN A 56 7.338 -3.607 0.676 1.00 0.00 O ATOM 885 CB GLN A 56 5.642 -5.568 -1.512 1.00 0.00 C ATOM 886 CG GLN A 56 6.779 -6.576 -1.465 1.00 0.00 C ATOM 887 CD GLN A 56 7.195 -7.051 -2.843 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.377 -7.560 -3.610 1.00 0.00 O ATOM 889 NE2 GLN A 56 8.472 -6.887 -3.166 1.00 0.00 N ATOM 0 H GLN A 56 3.454 -4.657 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 56 5.662 -5.465 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.716 -6.088 -1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.831 -4.857 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.637 -6.127 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.474 -7.434 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.116 -6.460 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.809 -7.188 -4.080 1.00 0.00 H new ATOM 898 N ASN A 57 6.208 -2.644 -1.013 1.00 0.00 N ATOM 899 CA ASN A 57 7.064 -1.464 -1.059 1.00 0.00 C ATOM 900 C ASN A 57 7.106 -0.770 0.299 1.00 0.00 C ATOM 901 O ASN A 57 8.151 -0.277 0.725 1.00 0.00 O ATOM 902 CB ASN A 57 6.568 -0.489 -2.128 1.00 0.00 C ATOM 903 CG ASN A 57 7.085 -0.835 -3.511 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.729 -1.866 -3.705 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.806 0.029 -4.480 1.00 0.00 N ATOM 0 H ASN A 57 5.451 -2.643 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 57 8.073 -1.788 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.478 -0.491 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.882 0.522 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.129 -0.149 -5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.269 0.871 -4.273 1.00 0.00 H new ATOM 912 N LYS A 58 5.963 -0.735 0.975 1.00 0.00 N ATOM 913 CA LYS A 58 5.867 -0.103 2.285 1.00 0.00 C ATOM 914 C LYS A 58 6.789 -0.789 3.289 1.00 0.00 C ATOM 915 O LYS A 58 7.617 -0.141 3.929 1.00 0.00 O ATOM 916 CB LYS A 58 4.423 -0.145 2.791 1.00 0.00 C ATOM 917 CG LYS A 58 3.614 1.087 2.425 1.00 0.00 C ATOM 918 CD LYS A 58 3.716 2.159 3.497 1.00 0.00 C ATOM 919 CE LYS A 58 2.920 3.400 3.121 1.00 0.00 C ATOM 920 NZ LYS A 58 3.205 4.540 4.036 1.00 0.00 N ATOM 0 H LYS A 58 5.089 -1.138 0.637 1.00 0.00 H new ATOM 0 HA LYS A 58 6.179 0.936 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.930 -1.027 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.430 -0.256 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.968 1.487 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.569 0.809 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.350 1.764 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.762 2.427 3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.158 3.688 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.855 3.170 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.644 5.366 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.954 4.275 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.217 4.776 3.991 1.00 0.00 H new ATOM 934 N ARG A 59 6.640 -2.103 3.420 1.00 0.00 N ATOM 935 CA ARG A 59 7.459 -2.876 4.345 1.00 0.00 C ATOM 936 C ARG A 59 8.937 -2.539 4.174 1.00 0.00 C ATOM 937 O ARG A 59 9.601 -2.116 5.120 1.00 0.00 O ATOM 938 CB ARG A 59 7.238 -4.374 4.126 1.00 0.00 C ATOM 939 CG ARG A 59 6.140 -4.961 4.999 1.00 0.00 C ATOM 940 CD ARG A 59 6.704 -5.547 6.284 1.00 0.00 C ATOM 941 NE ARG A 59 7.042 -4.510 7.256 1.00 0.00 N ATOM 942 CZ ARG A 59 7.457 -4.768 8.491 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.584 -6.022 8.903 1.00 0.00 N ATOM 944 NH2 ARG A 59 7.745 -3.771 9.317 1.00 0.00 N ATOM 0 H ARG A 59 5.960 -2.654 2.897 1.00 0.00 H new ATOM 0 HA ARG A 59 7.160 -2.616 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.990 -4.547 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.170 -4.903 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.412 -4.186 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.610 -5.736 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.976 -6.230 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.594 -6.133 6.055 1.00 0.00 H new ATOM 0 HE ARG A 59 6.954 -3.535 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.363 -6.791 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.903 -6.217 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.648 -2.805 9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.064 -3.970 10.265 1.00 0.00 H new ATOM 958 N SER A 60 9.446 -2.731 2.961 1.00 0.00 N ATOM 959 CA SER A 60 10.847 -2.452 2.667 1.00 0.00 C ATOM 960 C SER A 60 11.297 -1.160 3.342 1.00 0.00 C ATOM 961 O SER A 60 12.384 -1.090 3.914 1.00 0.00 O ATOM 962 CB SER A 60 11.063 -2.353 1.156 1.00 0.00 C ATOM 963 OG SER A 60 10.802 -3.593 0.521 1.00 0.00 O ATOM 0 H SER A 60 8.909 -3.079 2.166 1.00 0.00 H new ATOM 0 HA SER A 60 11.446 -3.274 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.411 -1.584 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.088 -2.045 0.951 1.00 0.00 H new ATOM 0 HG SER A 60 10.946 -3.503 -0.444 1.00 0.00 H new ATOM 969 N LYS A 61 10.452 -0.137 3.270 1.00 0.00 N ATOM 970 CA LYS A 61 10.759 1.154 3.873 1.00 0.00 C ATOM 971 C LYS A 61 10.837 1.040 5.393 1.00 0.00 C ATOM 972 O LYS A 61 11.769 1.549 6.015 1.00 0.00 O ATOM 973 CB LYS A 61 9.700 2.188 3.483 1.00 0.00 C ATOM 974 CG LYS A 61 9.836 3.507 4.223 1.00 0.00 C ATOM 975 CD LYS A 61 11.134 4.213 3.870 1.00 0.00 C ATOM 976 CE LYS A 61 11.385 5.406 4.780 1.00 0.00 C ATOM 977 NZ LYS A 61 12.559 6.206 4.334 1.00 0.00 N ATOM 0 H LYS A 61 9.548 -0.178 2.799 1.00 0.00 H new ATOM 0 HA LYS A 61 11.730 1.479 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.764 2.374 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.711 1.773 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.992 4.152 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.799 3.328 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.964 3.512 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.098 4.546 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.499 6.041 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.549 5.057 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.697 7.010 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.409 5.607 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.392 6.561 3.371 1.00 0.00 H new ATOM 991 N ILE A 62 9.854 0.367 5.982 1.00 0.00 N ATOM 992 CA ILE A 62 9.814 0.184 7.427 1.00 0.00 C ATOM 993 C ILE A 62 11.101 -0.454 7.937 1.00 0.00 C ATOM 994 O ILE A 62 11.296 -1.664 7.819 1.00 0.00 O ATOM 995 CB ILE A 62 8.618 -0.689 7.851 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.342 -0.220 7.151 1.00 0.00 C ATOM 997 CG2 ILE A 62 8.444 -0.652 9.362 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.086 -0.877 7.679 1.00 0.00 C ATOM 0 H ILE A 62 9.075 -0.060 5.481 1.00 0.00 H new ATOM 0 HA ILE A 62 9.704 1.175 7.867 1.00 0.00 H new ATOM 0 HB ILE A 62 8.816 -1.719 7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.252 0.860 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.427 -0.423 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.595 -1.274 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.347 -1.030 9.842 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.265 0.374 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.221 -0.496 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.155 -1.956 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.976 -0.652 8.740 1.00 0.00 H new ATOM 1010 N LYS A 63 11.978 0.367 8.504 1.00 0.00 N ATOM 1011 CA LYS A 63 13.247 -0.116 9.035 1.00 0.00 C ATOM 1012 C LYS A 63 13.094 -1.515 9.623 1.00 0.00 C ATOM 1013 O LYS A 63 12.196 -1.767 10.428 1.00 0.00 O ATOM 1014 CB LYS A 63 13.774 0.843 10.105 1.00 0.00 C ATOM 1015 CG LYS A 63 14.441 2.082 9.536 1.00 0.00 C ATOM 1016 CD LYS A 63 14.922 3.013 10.636 1.00 0.00 C ATOM 1017 CE LYS A 63 13.767 3.777 11.265 1.00 0.00 C ATOM 1018 NZ LYS A 63 14.196 4.537 12.471 1.00 0.00 N ATOM 0 H LYS A 63 11.833 1.371 8.608 1.00 0.00 H new ATOM 0 HA LYS A 63 13.962 -0.162 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.947 1.148 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.488 0.313 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.285 1.788 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.738 2.611 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.438 2.435 11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.646 3.718 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.346 4.466 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.976 3.079 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.380 5.044 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.575 3.878 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.933 5.221 12.206 1.00 0.00 H new ATOM 1032 N LYS A 64 13.975 -2.423 9.217 1.00 0.00 N ATOM 1033 CA LYS A 64 13.940 -3.796 9.705 1.00 0.00 C ATOM 1034 C LYS A 64 14.729 -3.933 11.003 1.00 0.00 C ATOM 1035 O LYS A 64 15.529 -3.064 11.349 1.00 0.00 O ATOM 1036 CB LYS A 64 14.506 -4.749 8.649 1.00 0.00 C ATOM 1037 CG LYS A 64 13.599 -4.932 7.446 1.00 0.00 C ATOM 1038 CD LYS A 64 14.302 -5.680 6.325 1.00 0.00 C ATOM 1039 CE LYS A 64 15.345 -4.809 5.643 1.00 0.00 C ATOM 1040 NZ LYS A 64 15.699 -5.323 4.291 1.00 0.00 N ATOM 0 H LYS A 64 14.723 -2.232 8.550 1.00 0.00 H new ATOM 0 HA LYS A 64 12.901 -4.058 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.471 -4.372 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.687 -5.721 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.704 -5.479 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.272 -3.957 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.779 -6.574 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.568 -6.012 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.967 -3.790 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.242 -4.765 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.413 -4.702 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.083 -6.286 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.848 -5.341 3.693 1.00 0.00 H new ATOM 1054 N SER A 65 14.498 -5.030 11.718 1.00 0.00 N ATOM 1055 CA SER A 65 15.186 -5.279 12.980 1.00 0.00 C ATOM 1056 C SER A 65 16.659 -5.597 12.742 1.00 0.00 C ATOM 1057 O SER A 65 16.995 -6.589 12.097 1.00 0.00 O ATOM 1058 CB SER A 65 14.518 -6.433 13.730 1.00 0.00 C ATOM 1059 OG SER A 65 13.124 -6.213 13.866 1.00 0.00 O ATOM 0 H SER A 65 13.840 -5.760 11.445 1.00 0.00 H new ATOM 0 HA SER A 65 15.121 -4.375 13.586 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.692 -7.367 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.970 -6.541 14.716 1.00 0.00 H new ATOM 0 HG SER A 65 12.720 -6.965 14.347 1.00 0.00 H new ATOM 1065 N GLY A 66 17.534 -4.746 13.269 1.00 0.00 N ATOM 1066 CA GLY A 66 18.961 -4.952 13.104 1.00 0.00 C ATOM 1067 C GLY A 66 19.777 -3.763 13.572 1.00 0.00 C ATOM 1068 O GLY A 66 20.170 -2.903 12.784 1.00 0.00 O ATOM 0 H GLY A 66 17.280 -3.918 13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.264 -5.838 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.178 -5.147 12.054 1.00 0.00 H new ATOM 1072 N PRO A 67 20.041 -3.702 14.886 1.00 0.00 N ATOM 1073 CA PRO A 67 20.817 -2.614 15.488 1.00 0.00 C ATOM 1074 C PRO A 67 22.289 -2.664 15.094 1.00 0.00 C ATOM 1075 O PRO A 67 22.896 -1.637 14.793 1.00 0.00 O ATOM 1076 CB PRO A 67 20.657 -2.853 16.991 1.00 0.00 C ATOM 1077 CG PRO A 67 20.381 -4.312 17.115 1.00 0.00 C ATOM 1078 CD PRO A 67 19.604 -4.692 15.885 1.00 0.00 C ATOM 0 HA PRO A 67 20.469 -1.635 15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 67 21.559 -2.573 17.535 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.840 -2.259 17.402 1.00 0.00 H new ATOM 0 HG2 PRO A 67 21.309 -4.880 17.182 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.810 -4.526 18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.828 -5.710 15.567 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.529 -4.641 16.057 1.00 0.00 H new ATOM 1086 N SER A 68 22.857 -3.866 15.097 1.00 0.00 N ATOM 1087 CA SER A 68 24.260 -4.049 14.743 1.00 0.00 C ATOM 1088 C SER A 68 24.541 -3.513 13.343 1.00 0.00 C ATOM 1089 O SER A 68 24.284 -4.185 12.345 1.00 0.00 O ATOM 1090 CB SER A 68 24.637 -5.530 14.820 1.00 0.00 C ATOM 1091 OG SER A 68 26.028 -5.691 15.038 1.00 0.00 O ATOM 0 H SER A 68 22.368 -4.727 15.340 1.00 0.00 H new ATOM 0 HA SER A 68 24.866 -3.489 15.455 1.00 0.00 H new ATOM 0 HB2 SER A 68 24.081 -6.009 15.627 1.00 0.00 H new ATOM 0 HB3 SER A 68 24.350 -6.030 13.895 1.00 0.00 H new ATOM 0 HG SER A 68 26.243 -6.646 15.085 1.00 0.00 H new ATOM 1097 N SER A 69 25.072 -2.296 13.279 1.00 0.00 N ATOM 1098 CA SER A 69 25.386 -1.665 12.002 1.00 0.00 C ATOM 1099 C SER A 69 26.651 -2.265 11.396 1.00 0.00 C ATOM 1100 O SER A 69 26.662 -2.681 10.238 1.00 0.00 O ATOM 1101 CB SER A 69 25.559 -0.156 12.183 1.00 0.00 C ATOM 1102 OG SER A 69 24.321 0.520 12.046 1.00 0.00 O ATOM 0 H SER A 69 25.294 -1.727 14.096 1.00 0.00 H new ATOM 0 HA SER A 69 24.555 -1.848 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 69 25.982 0.049 13.166 1.00 0.00 H new ATOM 0 HB3 SER A 69 26.267 0.223 11.446 1.00 0.00 H new ATOM 0 HG SER A 69 24.459 1.483 12.168 1.00 0.00 H new ATOM 1108 N GLY A 70 27.717 -2.307 12.189 1.00 0.00 N ATOM 1109 CA GLY A 70 28.973 -2.857 11.715 1.00 0.00 C ATOM 1110 C GLY A 70 30.002 -1.784 11.421 1.00 0.00 C ATOM 1111 O GLY A 70 29.721 -0.593 11.551 1.00 0.00 O ATOM 0 H GLY A 70 27.733 -1.970 13.152 1.00 0.00 H new ATOM 0 HA2 GLY A 70 29.371 -3.542 12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.793 -3.440 10.812 1.00 0.00 H new TER 1115 GLY A 70