USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 141:sc= 0.451 USER MOD Set 1.2: A 68 GLN : amide:sc= -4.9 K(o=-4.4,f=-5.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.361 USER MOD Single : A 17 ASN : amide:sc= 0.477 K(o=0.48,f=-0.48) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= -0.291 (180deg=-1.69!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -14.2! C(o=-16!,f=-14!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -113:sc= 0.526 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= 0 USER MOD Single : A 74 MET CE :methyl -148:sc= -0.5 (180deg=-1.76!) USER MOD Single : A 75 SER OG : rot -40:sc= -1.69 USER MOD Single : A 77 GLN :FLIP amide:sc= -4.13! C(o=-6.5!,f=-4.1!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 10:sc= 0.213 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.277 -5.498 -2.403 1.00 0.00 N ATOM 91 CA VAL A 7 -14.294 -4.237 -1.656 1.00 0.00 C ATOM 92 C VAL A 7 -13.426 -3.148 -2.300 1.00 0.00 C ATOM 93 O VAL A 7 -13.968 -2.229 -2.915 1.00 0.00 O ATOM 94 CB VAL A 7 -13.940 -4.386 -0.138 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.114 -3.952 0.721 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.502 -5.803 0.247 1.00 0.00 C ATOM 0 HA VAL A 7 -15.335 -3.919 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.085 -3.735 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.854 -4.061 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.352 -2.909 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.980 -4.574 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.272 -5.836 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.307 -6.505 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.615 -6.078 -0.325 1.00 0.00 H new ATOM 106 N PRO A 8 -12.078 -3.181 -2.158 1.00 0.00 N ATOM 107 CA PRO A 8 -11.206 -2.156 -2.711 1.00 0.00 C ATOM 108 C PRO A 8 -10.395 -2.630 -3.932 1.00 0.00 C ATOM 109 O PRO A 8 -10.961 -3.008 -4.958 1.00 0.00 O ATOM 110 CB PRO A 8 -10.307 -1.938 -1.504 1.00 0.00 C ATOM 111 CG PRO A 8 -10.032 -3.336 -1.044 1.00 0.00 C ATOM 112 CD PRO A 8 -11.257 -4.157 -1.420 1.00 0.00 C ATOM 0 HA PRO A 8 -11.729 -1.280 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.391 -1.412 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.801 -1.347 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.136 -3.733 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.860 -3.365 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.996 -5.017 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.774 -4.541 -0.541 1.00 0.00 H new ATOM 120 N LEU A 9 -9.062 -2.592 -3.806 1.00 0.00 N ATOM 121 CA LEU A 9 -8.147 -2.992 -4.870 1.00 0.00 C ATOM 122 C LEU A 9 -8.352 -4.442 -5.299 1.00 0.00 C ATOM 123 O LEU A 9 -8.288 -5.361 -4.483 1.00 0.00 O ATOM 124 CB LEU A 9 -6.705 -2.815 -4.372 1.00 0.00 C ATOM 125 CG LEU A 9 -5.575 -2.944 -5.419 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.076 -3.523 -6.723 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.916 -1.601 -5.677 1.00 0.00 C ATOM 0 H LEU A 9 -8.591 -2.280 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.346 -2.362 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.626 -1.831 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.525 -3.551 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.838 -3.631 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.250 -3.596 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.490 -4.515 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.850 -2.875 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.125 -1.720 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.659 -0.897 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.490 -1.220 -4.749 1.00 0.00 H new ATOM 139 N THR A 10 -8.539 -4.635 -6.602 1.00 0.00 N ATOM 140 CA THR A 10 -8.684 -5.964 -7.168 1.00 0.00 C ATOM 141 C THR A 10 -7.378 -6.366 -7.843 1.00 0.00 C ATOM 142 O THR A 10 -6.911 -5.686 -8.757 1.00 0.00 O ATOM 143 CB THR A 10 -9.813 -6.006 -8.190 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.068 -5.791 -7.570 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.879 -7.325 -8.932 1.00 0.00 C ATOM 0 H THR A 10 -8.593 -3.880 -7.286 1.00 0.00 H new ATOM 0 HA THR A 10 -8.924 -6.658 -6.363 1.00 0.00 H new ATOM 0 HB THR A 10 -9.596 -5.210 -8.902 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.776 -5.821 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.701 -7.299 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.942 -7.491 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.042 -8.135 -8.221 1.00 0.00 H new ATOM 153 N PHE A 11 -6.788 -7.461 -7.393 1.00 0.00 N ATOM 154 CA PHE A 11 -5.535 -7.927 -7.967 1.00 0.00 C ATOM 155 C PHE A 11 -5.792 -8.816 -9.181 1.00 0.00 C ATOM 156 O PHE A 11 -6.941 -9.037 -9.566 1.00 0.00 O ATOM 157 CB PHE A 11 -4.712 -8.665 -6.917 1.00 0.00 C ATOM 158 CG PHE A 11 -5.269 -9.987 -6.536 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.193 -10.109 -5.516 1.00 0.00 C ATOM 160 CD2 PHE A 11 -4.855 -11.112 -7.204 1.00 0.00 C ATOM 161 CE1 PHE A 11 -6.691 -11.347 -5.173 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.343 -12.344 -6.869 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.261 -12.465 -5.854 1.00 0.00 C ATOM 0 H PHE A 11 -7.153 -8.041 -6.637 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.966 -7.060 -8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.699 -8.804 -7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.637 -8.043 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.527 -9.230 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.135 -11.023 -8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.414 -11.440 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.007 -13.221 -7.402 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.646 -13.439 -5.589 1.00 0.00 H new ATOM 173 N THR A 12 -4.721 -9.309 -9.793 1.00 0.00 N ATOM 174 CA THR A 12 -4.846 -10.155 -10.979 1.00 0.00 C ATOM 175 C THR A 12 -5.209 -11.594 -10.610 1.00 0.00 C ATOM 176 O THR A 12 -5.668 -11.869 -9.508 1.00 0.00 O ATOM 177 CB THR A 12 -3.547 -10.131 -11.789 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.778 -10.564 -13.121 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.458 -11.002 -11.198 1.00 0.00 C ATOM 0 H THR A 12 -3.761 -9.140 -9.492 1.00 0.00 H new ATOM 0 HA THR A 12 -5.656 -9.752 -11.587 1.00 0.00 H new ATOM 0 HB THR A 12 -3.209 -9.095 -11.767 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.937 -10.540 -13.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.565 -10.940 -11.820 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.223 -10.658 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.801 -12.036 -11.158 1.00 0.00 H new ATOM 187 N ASP A 13 -4.992 -12.508 -11.547 1.00 0.00 N ATOM 188 CA ASP A 13 -5.286 -13.917 -11.336 1.00 0.00 C ATOM 189 C ASP A 13 -4.074 -14.635 -10.766 1.00 0.00 C ATOM 190 O ASP A 13 -4.189 -15.447 -9.851 1.00 0.00 O ATOM 191 CB ASP A 13 -5.692 -14.570 -12.654 1.00 0.00 C ATOM 192 CG ASP A 13 -6.405 -15.889 -12.447 1.00 0.00 C ATOM 193 OD1 ASP A 13 -6.249 -16.491 -11.362 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.121 -16.325 -13.371 1.00 0.00 O ATOM 0 H ASP A 13 -4.610 -12.294 -12.468 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.109 -13.993 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.341 -13.892 -13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.804 -14.732 -13.265 1.00 0.00 H new ATOM 199 N ALA A 14 -2.907 -14.326 -11.317 1.00 0.00 N ATOM 200 CA ALA A 14 -1.665 -14.939 -10.876 1.00 0.00 C ATOM 201 C ALA A 14 -1.433 -14.683 -9.397 1.00 0.00 C ATOM 202 O ALA A 14 -1.087 -15.596 -8.650 1.00 0.00 O ATOM 203 CB ALA A 14 -0.496 -14.425 -11.701 1.00 0.00 C ATOM 0 H ALA A 14 -2.797 -13.651 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.743 -16.016 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.426 -14.894 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.657 -14.668 -12.751 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.417 -13.344 -11.587 1.00 0.00 H new ATOM 209 N ALA A 15 -1.651 -13.444 -8.965 1.00 0.00 N ATOM 210 CA ALA A 15 -1.486 -13.117 -7.557 1.00 0.00 C ATOM 211 C ALA A 15 -2.306 -14.099 -6.725 1.00 0.00 C ATOM 212 O ALA A 15 -1.923 -14.482 -5.620 1.00 0.00 O ATOM 213 CB ALA A 15 -1.884 -11.673 -7.281 1.00 0.00 C ATOM 0 H ALA A 15 -1.937 -12.665 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.436 -13.209 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.751 -11.455 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.257 -11.004 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.929 -11.525 -7.553 1.00 0.00 H new ATOM 219 N ALA A 16 -3.417 -14.544 -7.312 1.00 0.00 N ATOM 220 CA ALA A 16 -4.283 -15.530 -6.687 1.00 0.00 C ATOM 221 C ALA A 16 -3.574 -16.863 -6.712 1.00 0.00 C ATOM 222 O ALA A 16 -3.558 -17.609 -5.732 1.00 0.00 O ATOM 223 CB ALA A 16 -5.606 -15.632 -7.434 1.00 0.00 C ATOM 0 H ALA A 16 -3.736 -14.230 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.498 -15.233 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.240 -16.375 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.107 -14.664 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.419 -15.930 -8.466 1.00 0.00 H new ATOM 229 N ASN A 17 -2.978 -17.144 -7.868 1.00 0.00 N ATOM 230 CA ASN A 17 -2.239 -18.372 -8.088 1.00 0.00 C ATOM 231 C ASN A 17 -1.103 -18.519 -7.086 1.00 0.00 C ATOM 232 O ASN A 17 -0.908 -19.579 -6.500 1.00 0.00 O ATOM 233 CB ASN A 17 -1.672 -18.400 -9.513 1.00 0.00 C ATOM 234 CG ASN A 17 -2.712 -18.714 -10.560 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.670 -19.772 -11.197 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.657 -17.808 -10.751 1.00 0.00 N ATOM 0 H ASN A 17 -2.997 -16.522 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.929 -19.205 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.221 -17.433 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.876 -19.143 -9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.387 -17.971 -11.445 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.656 -16.947 -10.204 1.00 0.00 H new ATOM 243 N LYS A 18 -0.353 -17.435 -6.883 1.00 0.00 N ATOM 244 CA LYS A 18 0.759 -17.445 -5.945 1.00 0.00 C ATOM 245 C LYS A 18 0.283 -17.893 -4.570 1.00 0.00 C ATOM 246 O LYS A 18 1.036 -18.492 -3.805 1.00 0.00 O ATOM 247 CB LYS A 18 1.391 -16.050 -5.867 1.00 0.00 C ATOM 248 CG LYS A 18 2.309 -15.850 -4.670 1.00 0.00 C ATOM 249 CD LYS A 18 1.526 -15.434 -3.436 1.00 0.00 C ATOM 250 CE LYS A 18 2.268 -14.379 -2.631 1.00 0.00 C ATOM 251 NZ LYS A 18 3.607 -14.856 -2.186 1.00 0.00 N ATOM 0 H LYS A 18 -0.499 -16.543 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 18 1.513 -18.150 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.958 -15.868 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.597 -15.304 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.850 -16.774 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.054 -15.090 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.553 -15.046 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.342 -16.307 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.386 -13.479 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.674 -14.103 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.691 -14.744 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.719 -15.860 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.348 -14.298 -2.656 1.00 0.00 H new ATOM 265 N VAL A 19 -0.975 -17.597 -4.269 1.00 0.00 N ATOM 266 CA VAL A 19 -1.566 -17.959 -2.994 1.00 0.00 C ATOM 267 C VAL A 19 -2.108 -19.381 -3.016 1.00 0.00 C ATOM 268 O VAL A 19 -1.576 -20.259 -2.349 1.00 0.00 O ATOM 269 CB VAL A 19 -2.703 -16.986 -2.629 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.336 -17.354 -1.293 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.193 -15.552 -2.614 1.00 0.00 C ATOM 0 H VAL A 19 -1.607 -17.103 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.779 -17.898 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.476 -17.067 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.135 -16.649 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.747 -18.362 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.580 -17.314 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.009 -14.878 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.396 -15.457 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.808 -15.292 -3.600 1.00 0.00 H new ATOM 281 N LYS A 20 -3.174 -19.584 -3.781 1.00 0.00 N ATOM 282 CA LYS A 20 -3.816 -20.889 -3.892 1.00 0.00 C ATOM 283 C LYS A 20 -2.834 -21.994 -4.261 1.00 0.00 C ATOM 284 O LYS A 20 -3.130 -23.181 -4.089 1.00 0.00 O ATOM 285 CB LYS A 20 -4.905 -20.859 -4.964 1.00 0.00 C ATOM 286 CG LYS A 20 -4.485 -20.126 -6.229 1.00 0.00 C ATOM 287 CD LYS A 20 -4.553 -21.038 -7.444 1.00 0.00 C ATOM 288 CE LYS A 20 -3.535 -22.164 -7.356 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.275 -22.788 -8.686 1.00 0.00 N ATOM 0 H LYS A 20 -3.616 -18.854 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.237 -21.103 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.181 -21.882 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.795 -20.381 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.132 -19.262 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.470 -19.747 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.555 -21.458 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.375 -20.455 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.601 -21.777 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.895 -22.924 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.576 -23.551 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.161 -23.180 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.907 -22.069 -9.341 1.00 0.00 H new ATOM 303 N SER A 21 -1.695 -21.623 -4.824 1.00 0.00 N ATOM 304 CA SER A 21 -0.718 -22.607 -5.269 1.00 0.00 C ATOM 305 C SER A 21 0.262 -23.009 -4.174 1.00 0.00 C ATOM 306 O SER A 21 0.531 -24.197 -3.991 1.00 0.00 O ATOM 307 CB SER A 21 0.055 -22.076 -6.478 1.00 0.00 C ATOM 308 OG SER A 21 0.833 -23.103 -7.071 1.00 0.00 O ATOM 0 H SER A 21 -1.424 -20.653 -4.984 1.00 0.00 H new ATOM 0 HA SER A 21 -1.280 -23.500 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.642 -21.672 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.703 -21.256 -6.169 1.00 0.00 H new ATOM 0 HG SER A 21 1.318 -22.742 -7.843 1.00 0.00 H new ATOM 314 N LEU A 22 0.804 -22.041 -3.459 1.00 0.00 N ATOM 315 CA LEU A 22 1.762 -22.342 -2.406 1.00 0.00 C ATOM 316 C LEU A 22 1.042 -22.767 -1.137 1.00 0.00 C ATOM 317 O LEU A 22 1.591 -23.498 -0.325 1.00 0.00 O ATOM 318 CB LEU A 22 2.726 -21.158 -2.173 1.00 0.00 C ATOM 319 CG LEU A 22 2.469 -20.272 -0.953 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.119 -19.591 -1.057 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.583 -21.061 0.349 1.00 0.00 C ATOM 0 H LEU A 22 0.602 -21.049 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 22 2.378 -23.183 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.737 -21.557 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.703 -20.525 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 22 3.240 -19.502 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.958 -18.966 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.092 -18.971 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.334 -20.345 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.394 -20.398 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.851 -21.869 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.586 -21.480 0.434 1.00 0.00 H new ATOM 333 N ILE A 23 -0.198 -22.320 -0.981 1.00 0.00 N ATOM 334 CA ILE A 23 -0.975 -22.676 0.183 1.00 0.00 C ATOM 335 C ILE A 23 -1.386 -24.127 0.098 1.00 0.00 C ATOM 336 O ILE A 23 -1.183 -24.900 1.032 1.00 0.00 O ATOM 337 CB ILE A 23 -2.216 -21.796 0.314 1.00 0.00 C ATOM 338 CG1 ILE A 23 -3.053 -21.859 -0.952 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.804 -20.357 0.588 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.198 -22.839 -0.873 1.00 0.00 C ATOM 0 H ILE A 23 -0.679 -21.714 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.354 -22.519 1.065 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.815 -22.165 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.450 -20.866 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.410 -22.131 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.694 -19.735 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.232 -20.312 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.190 -19.991 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.751 -22.829 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.808 -23.841 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.864 -22.556 -0.058 1.00 0.00 H new ATOM 352 N SER A 24 -1.920 -24.506 -1.046 1.00 0.00 N ATOM 353 CA SER A 24 -2.315 -25.889 -1.279 1.00 0.00 C ATOM 354 C SER A 24 -1.108 -26.788 -1.105 1.00 0.00 C ATOM 355 O SER A 24 -1.232 -27.972 -0.803 1.00 0.00 O ATOM 356 CB SER A 24 -2.879 -26.040 -2.686 1.00 0.00 C ATOM 357 OG SER A 24 -4.297 -26.090 -2.673 1.00 0.00 O ATOM 0 H SER A 24 -2.092 -23.879 -1.832 1.00 0.00 H new ATOM 0 HA SER A 24 -3.086 -26.173 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.549 -25.205 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.486 -26.949 -3.142 1.00 0.00 H new ATOM 0 HG SER A 24 -4.629 -26.185 -3.590 1.00 0.00 H new ATOM 363 N GLU A 25 0.072 -26.189 -1.279 1.00 0.00 N ATOM 364 CA GLU A 25 1.322 -26.909 -1.131 1.00 0.00 C ATOM 365 C GLU A 25 1.696 -27.026 0.340 1.00 0.00 C ATOM 366 O GLU A 25 2.481 -27.892 0.718 1.00 0.00 O ATOM 367 CB GLU A 25 2.436 -26.200 -1.907 1.00 0.00 C ATOM 368 CG GLU A 25 3.219 -27.127 -2.823 1.00 0.00 C ATOM 369 CD GLU A 25 4.574 -26.564 -3.203 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.479 -26.573 -2.339 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.735 -26.114 -4.355 1.00 0.00 O ATOM 0 H GLU A 25 0.180 -25.204 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 25 1.196 -27.912 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.000 -25.397 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.123 -25.736 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.355 -28.089 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.640 -27.312 -3.728 1.00 0.00 H new ATOM 378 N GLU A 26 1.116 -26.159 1.172 1.00 0.00 N ATOM 379 CA GLU A 26 1.390 -26.200 2.602 1.00 0.00 C ATOM 380 C GLU A 26 0.559 -27.289 3.262 1.00 0.00 C ATOM 381 O GLU A 26 0.846 -27.715 4.381 1.00 0.00 O ATOM 382 CB GLU A 26 1.102 -24.851 3.246 1.00 0.00 C ATOM 383 CG GLU A 26 2.053 -23.759 2.800 1.00 0.00 C ATOM 384 CD GLU A 26 1.681 -22.397 3.359 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.658 -21.834 2.919 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.411 -21.899 4.233 1.00 0.00 O ATOM 0 H GLU A 26 0.463 -25.431 0.882 1.00 0.00 H new ATOM 0 HA GLU A 26 2.447 -26.427 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.081 -24.553 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.160 -24.954 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.065 -24.013 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.060 -23.711 1.711 1.00 0.00 H new ATOM 393 N GLU A 27 -0.495 -27.711 2.560 1.00 0.00 N ATOM 394 CA GLU A 27 -1.398 -28.721 3.076 1.00 0.00 C ATOM 395 C GLU A 27 -2.380 -28.087 4.042 1.00 0.00 C ATOM 396 O GLU A 27 -3.113 -28.773 4.745 1.00 0.00 O ATOM 397 CB GLU A 27 -0.633 -29.855 3.762 1.00 0.00 C ATOM 398 CG GLU A 27 -1.104 -31.245 3.354 1.00 0.00 C ATOM 399 CD GLU A 27 -2.235 -31.757 4.224 1.00 0.00 C ATOM 400 OE1 GLU A 27 -1.955 -32.219 5.351 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.401 -31.690 3.779 1.00 0.00 O ATOM 0 H GLU A 27 -0.737 -27.363 1.632 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.945 -29.151 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.428 -29.758 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.735 -29.749 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.432 -31.223 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.265 -31.939 3.409 1.00 0.00 H new ATOM 408 N ASN A 28 -2.402 -26.745 4.062 1.00 0.00 N ATOM 409 CA ASN A 28 -3.315 -26.023 4.937 1.00 0.00 C ATOM 410 C ASN A 28 -4.731 -26.479 4.672 1.00 0.00 C ATOM 411 O ASN A 28 -5.341 -27.160 5.501 1.00 0.00 O ATOM 412 CB ASN A 28 -3.247 -24.510 4.734 1.00 0.00 C ATOM 413 CG ASN A 28 -1.917 -24.016 4.215 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.912 -23.576 2.966 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.909 -24.033 4.928 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.803 -26.152 3.487 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.015 -26.240 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.030 -24.212 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.460 -24.017 5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.967 -24.382 5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.019 -23.698 4.560 1.00 0.00 H new ATOM 422 N THR A 29 -5.246 -26.097 3.504 1.00 0.00 N ATOM 423 CA THR A 29 -6.609 -26.449 3.115 1.00 0.00 C ATOM 424 C THR A 29 -7.151 -25.537 2.025 1.00 0.00 C ATOM 425 O THR A 29 -7.762 -25.994 1.061 1.00 0.00 O ATOM 426 CB THR A 29 -7.542 -26.361 4.323 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.897 -26.320 3.919 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.275 -25.133 5.163 1.00 0.00 C ATOM 0 H THR A 29 -4.740 -25.544 2.812 1.00 0.00 H new ATOM 0 HA THR A 29 -6.571 -27.468 2.729 1.00 0.00 H new ATOM 0 HB THR A 29 -7.347 -27.255 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.473 -26.265 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.962 -25.114 6.009 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.249 -25.159 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.421 -24.239 4.557 1.00 0.00 H new ATOM 436 N ASP A 30 -6.950 -24.238 2.202 1.00 0.00 N ATOM 437 CA ASP A 30 -7.441 -23.234 1.262 1.00 0.00 C ATOM 438 C ASP A 30 -7.234 -21.861 1.872 1.00 0.00 C ATOM 439 O ASP A 30 -8.179 -21.195 2.284 1.00 0.00 O ATOM 440 CB ASP A 30 -8.925 -23.463 0.944 1.00 0.00 C ATOM 441 CG ASP A 30 -9.134 -24.116 -0.407 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.815 -23.470 -1.429 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.616 -25.270 -0.442 1.00 0.00 O ATOM 0 H ASP A 30 -6.444 -23.849 2.998 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.889 -23.311 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.367 -24.089 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.450 -22.508 0.968 1.00 0.00 H new ATOM 448 N LEU A 31 -5.976 -21.503 1.962 1.00 0.00 N ATOM 449 CA LEU A 31 -5.561 -20.257 2.565 1.00 0.00 C ATOM 450 C LEU A 31 -6.146 -19.030 1.892 1.00 0.00 C ATOM 451 O LEU A 31 -6.485 -19.031 0.711 1.00 0.00 O ATOM 452 CB LEU A 31 -4.044 -20.192 2.530 1.00 0.00 C ATOM 453 CG LEU A 31 -3.372 -20.163 3.887 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.955 -19.045 4.721 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.540 -21.496 4.589 1.00 0.00 C ATOM 0 H LEU A 31 -5.204 -22.072 1.616 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.938 -20.245 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.671 -21.053 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.746 -19.302 1.975 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.305 -19.983 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.469 -19.027 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.792 -18.092 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.025 -19.208 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.051 -21.459 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.601 -21.705 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.088 -22.284 3.986 1.00 0.00 H new ATOM 467 N LYS A 32 -6.232 -17.972 2.686 1.00 0.00 N ATOM 468 CA LYS A 32 -6.742 -16.690 2.241 1.00 0.00 C ATOM 469 C LYS A 32 -5.633 -15.652 2.337 1.00 0.00 C ATOM 470 O LYS A 32 -5.106 -15.399 3.419 1.00 0.00 O ATOM 471 CB LYS A 32 -7.926 -16.267 3.111 1.00 0.00 C ATOM 472 CG LYS A 32 -9.078 -17.256 3.105 1.00 0.00 C ATOM 473 CD LYS A 32 -9.807 -17.267 4.441 1.00 0.00 C ATOM 474 CE LYS A 32 -10.215 -15.866 4.866 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.257 -15.728 6.348 1.00 0.00 N ATOM 0 H LYS A 32 -5.946 -17.983 3.665 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.079 -16.772 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.581 -16.132 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.289 -15.299 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.777 -16.998 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.701 -18.255 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.693 -17.898 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.164 -17.707 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.513 -15.142 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.195 -15.631 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.240 -15.582 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.882 -16.592 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.679 -14.913 6.637 1.00 0.00 H new ATOM 489 N LEU A 33 -5.269 -15.059 1.208 1.00 0.00 N ATOM 490 CA LEU A 33 -4.213 -14.067 1.193 1.00 0.00 C ATOM 491 C LEU A 33 -4.565 -12.894 2.097 1.00 0.00 C ATOM 492 O LEU A 33 -5.722 -12.481 2.177 1.00 0.00 O ATOM 493 CB LEU A 33 -3.981 -13.589 -0.240 1.00 0.00 C ATOM 494 CG LEU A 33 -2.654 -12.867 -0.498 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.686 -11.457 0.072 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.485 -13.657 0.078 1.00 0.00 C ATOM 0 H LEU A 33 -5.689 -15.249 0.298 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.296 -14.519 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.038 -14.452 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.796 -12.920 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.514 -12.794 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.734 -10.964 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.490 -10.892 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.857 -11.503 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.554 -13.124 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.618 -13.772 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.445 -14.641 -0.389 1.00 0.00 H new ATOM 508 N ARG A 34 -3.555 -12.358 2.771 1.00 0.00 N ATOM 509 CA ARG A 34 -3.748 -11.228 3.665 1.00 0.00 C ATOM 510 C ARG A 34 -2.656 -10.196 3.435 1.00 0.00 C ATOM 511 O ARG A 34 -1.556 -10.294 3.975 1.00 0.00 O ATOM 512 CB ARG A 34 -3.761 -11.689 5.122 1.00 0.00 C ATOM 513 CG ARG A 34 -3.906 -10.553 6.124 1.00 0.00 C ATOM 514 CD ARG A 34 -3.138 -10.837 7.403 1.00 0.00 C ATOM 515 NE ARG A 34 -3.047 -9.658 8.261 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.754 -9.703 9.555 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.519 -10.869 10.150 1.00 0.00 N ATOM 518 NH2 ARG A 34 -2.694 -8.582 10.260 1.00 0.00 N ATOM 0 H ARG A 34 -2.592 -12.690 2.714 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.713 -10.770 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.581 -12.393 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.838 -12.230 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.544 -9.626 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.960 -10.404 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.627 -11.645 7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.135 -11.182 7.154 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.219 -8.745 7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.563 -11.734 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.294 -10.898 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.873 -7.685 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.469 -8.616 11.254 1.00 0.00 H new ATOM 532 N VAL A 35 -2.966 -9.224 2.596 1.00 0.00 N ATOM 533 CA VAL A 35 -2.019 -8.181 2.238 1.00 0.00 C ATOM 534 C VAL A 35 -1.765 -7.187 3.361 1.00 0.00 C ATOM 535 O VAL A 35 -2.617 -6.940 4.212 1.00 0.00 O ATOM 536 CB VAL A 35 -2.508 -7.392 1.018 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.402 -6.504 0.474 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.023 -8.332 -0.052 1.00 0.00 C ATOM 0 H VAL A 35 -3.876 -9.134 2.145 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.088 -8.703 2.019 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.332 -6.750 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.770 -5.953 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.088 -5.801 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.553 -7.120 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.366 -7.754 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.222 -9.003 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.852 -8.917 0.346 1.00 0.00 H new ATOM 548 N TYR A 36 -0.581 -6.593 3.304 1.00 0.00 N ATOM 549 CA TYR A 36 -0.162 -5.575 4.254 1.00 0.00 C ATOM 550 C TYR A 36 0.585 -4.485 3.496 1.00 0.00 C ATOM 551 O TYR A 36 0.819 -4.617 2.295 1.00 0.00 O ATOM 552 CB TYR A 36 0.722 -6.168 5.354 1.00 0.00 C ATOM 553 CG TYR A 36 1.583 -7.321 4.897 1.00 0.00 C ATOM 554 CD1 TYR A 36 1.022 -8.558 4.610 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.956 -7.171 4.755 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.807 -9.617 4.193 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.749 -8.223 4.341 1.00 0.00 C ATOM 558 CZ TYR A 36 3.170 -9.444 4.061 1.00 0.00 C ATOM 559 OH TYR A 36 3.956 -10.496 3.647 1.00 0.00 O ATOM 0 H TYR A 36 0.119 -6.806 2.593 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.042 -5.155 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.365 -5.383 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.087 -6.505 6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.044 -8.695 4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.411 -6.216 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.357 -10.573 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.816 -8.091 4.237 1.00 0.00 H new ATOM 0 HH TYR A 36 4.892 -10.208 3.605 1.00 0.00 H new ATOM 569 N ILE A 37 0.947 -3.407 4.175 1.00 0.00 N ATOM 570 CA ILE A 37 1.649 -2.315 3.513 1.00 0.00 C ATOM 571 C ILE A 37 3.160 -2.520 3.522 1.00 0.00 C ATOM 572 O ILE A 37 3.790 -2.553 4.580 1.00 0.00 O ATOM 573 CB ILE A 37 1.307 -0.952 4.150 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.107 -0.529 3.755 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.313 0.107 3.721 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.302 -0.409 2.261 1.00 0.00 C ATOM 0 H ILE A 37 0.770 -3.264 5.169 1.00 0.00 H new ATOM 0 HA ILE A 37 1.308 -2.315 2.478 1.00 0.00 H new ATOM 0 HB ILE A 37 1.356 -1.053 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.819 -1.254 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.336 0.429 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.055 1.061 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.312 -0.190 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.293 0.210 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.328 -0.105 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.386 0.337 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.105 -1.372 1.790 1.00 0.00 H new ATOM 672 N GLN A 46 2.820 -1.854 -3.802 1.00 0.00 N ATOM 673 CA GLN A 46 3.346 -3.210 -3.731 1.00 0.00 C ATOM 674 C GLN A 46 2.546 -4.022 -2.732 1.00 0.00 C ATOM 675 O GLN A 46 1.757 -4.882 -3.109 1.00 0.00 O ATOM 676 CB GLN A 46 4.823 -3.194 -3.345 1.00 0.00 C ATOM 677 CG GLN A 46 5.748 -3.022 -4.536 1.00 0.00 C ATOM 678 CD GLN A 46 7.209 -2.950 -4.136 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.949 -3.926 -4.263 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.632 -1.790 -3.649 1.00 0.00 N ATOM 0 HA GLN A 46 3.257 -3.672 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.998 -2.384 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.069 -4.124 -2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.605 -3.854 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.477 -2.113 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.984 -1.007 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.605 -1.681 -3.363 1.00 0.00 H new ATOM 689 N TYR A 47 2.738 -3.727 -1.457 1.00 0.00 N ATOM 690 CA TYR A 47 2.014 -4.419 -0.402 1.00 0.00 C ATOM 691 C TYR A 47 2.466 -5.867 -0.289 1.00 0.00 C ATOM 692 O TYR A 47 2.486 -6.605 -1.274 1.00 0.00 O ATOM 693 CB TYR A 47 0.510 -4.357 -0.669 1.00 0.00 C ATOM 694 CG TYR A 47 0.057 -3.051 -1.279 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.141 -1.865 -0.563 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.451 -3.006 -2.570 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.272 -0.669 -1.115 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.865 -1.812 -3.130 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.773 -0.647 -2.398 1.00 0.00 C ATOM 700 OH TYR A 47 -1.184 0.543 -2.951 1.00 0.00 O ATOM 0 H TYR A 47 3.388 -3.014 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 47 2.230 -3.920 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.234 -5.175 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.024 -4.515 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.536 -1.878 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.524 -3.917 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.203 0.245 -0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.258 -1.792 -4.136 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.510 0.385 -3.862 1.00 0.00 H new ATOM 710 N GLY A 48 2.828 -6.264 0.922 1.00 0.00 N ATOM 711 CA GLY A 48 3.278 -7.623 1.157 1.00 0.00 C ATOM 712 C GLY A 48 2.123 -8.589 1.312 1.00 0.00 C ATOM 713 O GLY A 48 1.117 -8.266 1.942 1.00 0.00 O ATOM 0 H GLY A 48 2.818 -5.668 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.909 -7.944 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.895 -7.650 2.055 1.00 0.00 H new ATOM 717 N PHE A 49 2.250 -9.764 0.707 1.00 0.00 N ATOM 718 CA PHE A 49 1.195 -10.766 0.755 1.00 0.00 C ATOM 719 C PHE A 49 1.540 -11.949 1.652 1.00 0.00 C ATOM 720 O PHE A 49 2.637 -12.502 1.585 1.00 0.00 O ATOM 721 CB PHE A 49 0.908 -11.271 -0.656 1.00 0.00 C ATOM 722 CG PHE A 49 -0.019 -10.382 -1.421 1.00 0.00 C ATOM 723 CD1 PHE A 49 0.067 -9.006 -1.297 1.00 0.00 C ATOM 724 CD2 PHE A 49 -0.984 -10.918 -2.250 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.791 -8.180 -1.983 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.851 -10.101 -2.943 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.756 -8.727 -2.809 1.00 0.00 C ATOM 0 H PHE A 49 3.075 -10.045 0.177 1.00 0.00 H new ATOM 0 HA PHE A 49 0.315 -10.283 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.848 -11.361 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.477 -12.270 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.819 -8.575 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.060 -11.990 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.712 -7.108 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.602 -10.532 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.434 -8.083 -3.349 1.00 0.00 H new ATOM 737 N THR A 50 0.567 -12.349 2.464 1.00 0.00 N ATOM 738 CA THR A 50 0.719 -13.491 3.357 1.00 0.00 C ATOM 739 C THR A 50 -0.497 -14.404 3.223 1.00 0.00 C ATOM 740 O THR A 50 -1.556 -13.973 2.775 1.00 0.00 O ATOM 741 CB THR A 50 0.879 -13.040 4.812 1.00 0.00 C ATOM 742 OG1 THR A 50 1.383 -14.097 5.611 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.416 -12.573 5.433 1.00 0.00 C ATOM 0 H THR A 50 -0.344 -11.893 2.521 1.00 0.00 H new ATOM 0 HA THR A 50 1.621 -14.034 3.074 1.00 0.00 H new ATOM 0 HB THR A 50 1.575 -12.201 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.480 -13.790 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.236 -12.267 6.464 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.807 -11.728 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.141 -13.387 5.418 1.00 0.00 H new ATOM 751 N PHE A 51 -0.348 -15.659 3.611 1.00 0.00 N ATOM 752 CA PHE A 51 -1.440 -16.612 3.519 1.00 0.00 C ATOM 753 C PHE A 51 -2.043 -16.834 4.895 1.00 0.00 C ATOM 754 O PHE A 51 -1.526 -17.600 5.708 1.00 0.00 O ATOM 755 CB PHE A 51 -0.926 -17.898 2.868 1.00 0.00 C ATOM 756 CG PHE A 51 0.008 -17.581 1.735 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.485 -17.099 0.533 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.376 -17.699 1.890 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.373 -16.742 -0.489 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.240 -17.358 0.870 1.00 0.00 C ATOM 761 CZ PHE A 51 1.738 -16.873 -0.322 1.00 0.00 C ATOM 0 H PHE A 51 0.517 -16.041 3.992 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.242 -16.229 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.411 -18.507 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.766 -18.486 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.552 -17.001 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.775 -18.064 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.023 -16.361 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.306 -17.470 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.410 -16.597 -1.121 1.00 0.00 H new ATOM 771 N ASP A 52 -3.125 -16.107 5.151 1.00 0.00 N ATOM 772 CA ASP A 52 -3.822 -16.143 6.427 1.00 0.00 C ATOM 773 C ASP A 52 -5.253 -16.651 6.282 1.00 0.00 C ATOM 774 O ASP A 52 -6.127 -15.940 5.789 1.00 0.00 O ATOM 775 CB ASP A 52 -3.805 -14.741 7.046 1.00 0.00 C ATOM 776 CG ASP A 52 -4.737 -14.598 8.232 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.967 -14.665 8.029 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.241 -14.411 9.358 1.00 0.00 O ATOM 0 H ASP A 52 -3.545 -15.472 4.472 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.305 -16.843 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.789 -14.503 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.082 -14.012 6.285 1.00 0.00 H new ATOM 783 N GLU A 53 -5.475 -17.892 6.697 1.00 0.00 N ATOM 784 CA GLU A 53 -6.791 -18.524 6.597 1.00 0.00 C ATOM 785 C GLU A 53 -7.749 -18.069 7.704 1.00 0.00 C ATOM 786 O GLU A 53 -8.968 -18.198 7.550 1.00 0.00 O ATOM 787 CB GLU A 53 -6.634 -20.045 6.669 1.00 0.00 C ATOM 788 CG GLU A 53 -7.290 -20.773 5.509 1.00 0.00 C ATOM 789 CD GLU A 53 -8.471 -21.611 5.946 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.252 -22.689 6.535 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.619 -21.195 5.694 1.00 0.00 O ATOM 0 H GLU A 53 -4.757 -18.487 7.110 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.221 -18.222 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.573 -20.293 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.064 -20.404 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.619 -20.046 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.554 -21.413 5.023 1.00 0.00 H new ATOM 881 N LEU A 60 -10.643 -5.865 5.587 1.00 0.00 N ATOM 882 CA LEU A 60 -11.496 -6.010 4.413 1.00 0.00 C ATOM 883 C LEU A 60 -11.055 -7.222 3.602 1.00 0.00 C ATOM 884 O LEU A 60 -9.868 -7.533 3.540 1.00 0.00 O ATOM 885 CB LEU A 60 -11.445 -4.741 3.558 1.00 0.00 C ATOM 886 CG LEU A 60 -11.548 -3.423 4.334 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.137 -2.336 3.449 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.375 -3.594 5.596 1.00 0.00 C ATOM 0 HA LEU A 60 -12.526 -6.161 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.512 -4.740 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.256 -4.780 2.831 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.543 -3.124 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.205 -1.405 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.497 -2.188 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.132 -2.634 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.431 -2.643 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.380 -3.921 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.908 -4.341 6.239 1.00 0.00 H new ATOM 900 N THR A 61 -12.011 -7.924 3.011 1.00 0.00 N ATOM 901 CA THR A 61 -11.695 -9.122 2.242 1.00 0.00 C ATOM 902 C THR A 61 -12.296 -9.088 0.837 1.00 0.00 C ATOM 903 O THR A 61 -13.408 -8.598 0.628 1.00 0.00 O ATOM 904 CB THR A 61 -12.177 -10.364 3.006 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.507 -10.696 2.656 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.125 -10.204 4.511 1.00 0.00 C ATOM 0 H THR A 61 -13.003 -7.689 3.047 1.00 0.00 H new ATOM 0 HA THR A 61 -10.613 -9.163 2.118 1.00 0.00 H new ATOM 0 HB THR A 61 -11.487 -11.156 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.597 -11.670 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.479 -11.119 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.098 -10.008 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.760 -9.370 4.810 1.00 0.00 H new ATOM 914 N ILE A 62 -11.540 -9.617 -0.112 1.00 0.00 N ATOM 915 CA ILE A 62 -11.938 -9.671 -1.513 1.00 0.00 C ATOM 916 C ILE A 62 -11.632 -11.059 -2.093 1.00 0.00 C ATOM 917 O ILE A 62 -10.483 -11.371 -2.389 1.00 0.00 O ATOM 918 CB ILE A 62 -11.193 -8.595 -2.335 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.841 -8.247 -1.692 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.056 -7.354 -2.484 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.938 -7.360 -0.463 1.00 0.00 C ATOM 0 H ILE A 62 -10.623 -10.026 0.069 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.009 -9.479 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.994 -8.999 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.335 -9.172 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.217 -7.750 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.518 -6.605 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.982 -7.614 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.287 -6.951 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.938 -7.165 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.413 -6.417 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.533 -7.861 0.301 1.00 0.00 H new ATOM 933 N GLU A 63 -12.659 -11.898 -2.230 1.00 0.00 N ATOM 934 CA GLU A 63 -12.476 -13.258 -2.747 1.00 0.00 C ATOM 935 C GLU A 63 -11.882 -13.257 -4.153 1.00 0.00 C ATOM 936 O GLU A 63 -12.025 -12.284 -4.893 1.00 0.00 O ATOM 937 CB GLU A 63 -13.808 -14.003 -2.755 1.00 0.00 C ATOM 938 CG GLU A 63 -13.662 -15.512 -2.847 1.00 0.00 C ATOM 939 CD GLU A 63 -14.689 -16.247 -2.012 1.00 0.00 C ATOM 940 OE1 GLU A 63 -14.605 -16.173 -0.772 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.575 -16.902 -2.602 1.00 0.00 O ATOM 0 H GLU A 63 -13.623 -11.663 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.774 -13.765 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.359 -13.755 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.405 -13.652 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.758 -15.820 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.662 -15.797 -2.521 1.00 0.00 H new ATOM 948 N LYS A 64 -11.208 -14.353 -4.520 1.00 0.00 N ATOM 949 CA LYS A 64 -10.598 -14.450 -5.843 1.00 0.00 C ATOM 950 C LYS A 64 -10.580 -15.879 -6.396 1.00 0.00 C ATOM 951 O LYS A 64 -10.809 -16.853 -5.680 1.00 0.00 O ATOM 952 CB LYS A 64 -9.170 -13.899 -5.814 1.00 0.00 C ATOM 953 CG LYS A 64 -8.508 -13.855 -7.180 1.00 0.00 C ATOM 954 CD LYS A 64 -9.171 -12.847 -8.100 1.00 0.00 C ATOM 955 CE LYS A 64 -8.282 -12.550 -9.285 1.00 0.00 C ATOM 956 NZ LYS A 64 -9.064 -12.363 -10.539 1.00 0.00 N ATOM 0 H LYS A 64 -11.074 -15.172 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.220 -13.852 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.186 -12.893 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.566 -14.513 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.454 -13.602 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.550 -14.844 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.129 -13.235 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.378 -11.927 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.699 -11.651 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.572 -13.366 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.415 -12.161 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.601 -13.230 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.723 -11.567 -10.422 1.00 0.00 H new ATOM 970 N SER A 65 -10.286 -15.947 -7.693 1.00 0.00 N ATOM 971 CA SER A 65 -10.192 -17.180 -8.474 1.00 0.00 C ATOM 972 C SER A 65 -10.058 -18.456 -7.651 1.00 0.00 C ATOM 973 O SER A 65 -10.829 -19.402 -7.852 1.00 0.00 O ATOM 974 CB SER A 65 -8.994 -17.074 -9.425 1.00 0.00 C ATOM 975 OG SER A 65 -9.419 -17.049 -10.779 1.00 0.00 O ATOM 0 H SER A 65 -10.100 -15.113 -8.250 1.00 0.00 H new ATOM 0 HA SER A 65 -11.138 -17.268 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.427 -16.170 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.323 -17.919 -9.266 1.00 0.00 H new ATOM 0 HG SER A 65 -8.641 -17.140 -11.368 1.00 0.00 H new ATOM 981 N GLY A 66 -9.058 -18.536 -6.782 1.00 0.00 N ATOM 982 CA GLY A 66 -8.859 -19.765 -6.031 1.00 0.00 C ATOM 983 C GLY A 66 -8.805 -19.603 -4.529 1.00 0.00 C ATOM 984 O GLY A 66 -8.621 -20.583 -3.809 1.00 0.00 O ATOM 0 H GLY A 66 -8.392 -17.789 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.665 -20.456 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.930 -20.228 -6.364 1.00 0.00 H new ATOM 988 N VAL A 67 -8.949 -18.383 -4.035 1.00 0.00 N ATOM 989 CA VAL A 67 -8.896 -18.159 -2.601 1.00 0.00 C ATOM 990 C VAL A 67 -9.686 -16.917 -2.204 1.00 0.00 C ATOM 991 O VAL A 67 -10.584 -16.479 -2.921 1.00 0.00 O ATOM 992 CB VAL A 67 -7.431 -18.012 -2.128 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.590 -19.162 -2.652 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.850 -16.689 -2.582 1.00 0.00 C ATOM 0 H VAL A 67 -9.101 -17.545 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.347 -19.026 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.420 -18.036 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.561 -19.045 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.991 -20.105 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.613 -19.163 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.819 -16.607 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.875 -16.635 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.438 -15.871 -2.165 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.333 -16.346 -1.058 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.991 -15.153 -0.568 1.00 0.00 C ATOM 1006 C GLN A 68 -8.956 -14.163 -0.036 1.00 0.00 C ATOM 1007 O GLN A 68 -8.154 -14.494 0.835 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.044 -15.538 0.485 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.924 -14.832 1.825 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.692 -13.528 1.878 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.312 -13.209 2.884 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.654 -12.771 0.790 1.00 0.00 N ATOM 0 H GLN A 68 -8.591 -16.696 -0.453 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.516 -14.653 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.033 -15.334 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.985 -16.613 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.287 -15.493 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.872 -14.636 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.124 -13.077 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.155 -11.883 0.769 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.971 -12.950 -0.578 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.028 -11.921 -0.160 1.00 0.00 C ATOM 1023 C LEU A 69 -8.565 -11.154 1.040 1.00 0.00 C ATOM 1024 O LEU A 69 -9.766 -10.915 1.153 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.745 -10.947 -1.307 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.431 -11.167 -2.053 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.259 -10.692 -1.217 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.267 -12.632 -2.434 1.00 0.00 C ATOM 0 H LEU A 69 -9.624 -12.657 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.099 -12.416 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.564 -11.011 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.749 -9.933 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.455 -10.580 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.331 -10.857 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.371 -9.629 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.231 -11.248 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.324 -12.767 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.267 -13.245 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.092 -12.935 -3.078 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.664 -10.774 1.931 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.031 -10.029 3.125 1.00 0.00 C ATOM 1042 C VAL A 70 -6.891 -9.088 3.509 1.00 0.00 C ATOM 1043 O VAL A 70 -5.846 -9.518 3.985 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.417 -10.981 4.289 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.718 -12.376 3.762 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.347 -11.051 5.362 1.00 0.00 C ATOM 0 H VAL A 70 -6.666 -10.971 1.849 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.915 -9.428 2.912 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.313 -10.566 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.986 -13.029 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.547 -12.327 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.836 -12.773 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.668 -11.730 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.417 -11.415 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.186 -10.058 5.781 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.083 -7.797 3.272 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.042 -6.822 3.571 1.00 0.00 C ATOM 1058 C ILE A 71 -6.418 -5.932 4.747 1.00 0.00 C ATOM 1059 O ILE A 71 -7.588 -5.805 5.104 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.696 -5.958 2.335 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.662 -4.784 2.184 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.711 -6.809 1.075 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.088 -5.210 1.922 1.00 0.00 C ATOM 0 H ILE A 71 -7.938 -7.404 2.879 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.155 -7.392 3.849 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.695 -5.554 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.632 -4.179 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.324 -4.148 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.466 -6.188 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.976 -7.608 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.702 -7.242 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.720 -4.327 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.131 -5.790 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.443 -5.821 2.752 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.403 -5.328 5.346 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.600 -4.454 6.498 1.00 0.00 C ATOM 1077 C ASP A 72 -6.053 -3.054 6.077 1.00 0.00 C ATOM 1078 O ASP A 72 -5.636 -2.541 5.038 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.311 -4.359 7.316 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.112 -3.991 6.462 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.311 -3.379 5.392 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -1.976 -4.317 6.864 1.00 0.00 O ATOM 0 H ASP A 72 -4.431 -5.426 5.054 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.388 -4.891 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.436 -3.614 8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.124 -5.314 7.808 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.919 -2.422 6.892 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.441 -1.078 6.621 1.00 0.00 C ATOM 1089 C PRO A 73 -6.358 -0.096 6.184 1.00 0.00 C ATOM 1090 O PRO A 73 -6.601 0.782 5.360 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.029 -0.659 7.967 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.447 -1.937 8.601 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.461 -2.977 8.146 1.00 0.00 C ATOM 0 HA PRO A 73 -8.158 -1.080 5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.293 -0.135 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.875 0.016 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.447 -1.850 9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.460 -2.206 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.676 -3.135 8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.943 -3.941 7.982 1.00 0.00 H new ATOM 1101 N MET A 74 -5.160 -0.246 6.732 1.00 0.00 N ATOM 1102 CA MET A 74 -4.057 0.631 6.380 1.00 0.00 C ATOM 1103 C MET A 74 -3.827 0.586 4.870 1.00 0.00 C ATOM 1104 O MET A 74 -3.597 1.605 4.221 1.00 0.00 O ATOM 1105 CB MET A 74 -2.797 0.228 7.160 1.00 0.00 C ATOM 1106 CG MET A 74 -1.491 0.425 6.406 1.00 0.00 C ATOM 1107 SD MET A 74 -0.111 0.819 7.497 1.00 0.00 S ATOM 1108 CE MET A 74 -0.735 2.286 8.314 1.00 0.00 C ATOM 0 H MET A 74 -4.930 -0.964 7.419 1.00 0.00 H new ATOM 0 HA MET A 74 -4.300 1.658 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.758 0.806 8.084 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.882 -0.821 7.444 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.259 -0.481 5.846 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.614 1.227 5.678 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.095 2.952 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.435 2.799 7.655 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.245 2.001 9.234 1.00 0.00 H new ATOM 1118 N SER A 75 -3.920 -0.601 4.310 1.00 0.00 N ATOM 1119 CA SER A 75 -3.749 -0.765 2.881 1.00 0.00 C ATOM 1120 C SER A 75 -5.001 -0.289 2.150 1.00 0.00 C ATOM 1121 O SER A 75 -4.923 0.224 1.036 1.00 0.00 O ATOM 1122 CB SER A 75 -3.464 -2.229 2.540 1.00 0.00 C ATOM 1123 OG SER A 75 -4.643 -3.011 2.628 1.00 0.00 O ATOM 0 H SER A 75 -4.112 -1.464 4.819 1.00 0.00 H new ATOM 0 HA SER A 75 -2.899 -0.164 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.052 -2.298 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.710 -2.624 3.220 1.00 0.00 H new ATOM 0 HG SER A 75 -5.166 -2.728 3.407 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.158 -0.469 2.789 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.438 -0.075 2.202 1.00 0.00 C ATOM 1131 C LEU A 76 -7.353 1.287 1.520 1.00 0.00 C ATOM 1132 O LEU A 76 -7.865 1.466 0.419 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.536 -0.085 3.272 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.530 1.081 3.235 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.779 0.711 3.999 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.909 2.328 3.832 1.00 0.00 C ATOM 0 H LEU A 76 -6.234 -0.887 3.716 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.692 -0.803 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.096 -1.015 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.059 -0.097 4.252 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.790 1.287 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.483 1.543 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.237 -0.168 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.520 0.491 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.629 3.145 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.629 2.135 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.022 2.602 3.261 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.717 2.242 2.184 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.585 3.584 1.637 1.00 0.00 C ATOM 1150 C GLN A 77 -5.409 3.679 0.664 1.00 0.00 C ATOM 1151 O GLN A 77 -5.354 4.589 -0.160 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.480 4.628 2.764 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.078 5.162 3.038 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.593 4.796 4.420 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.681 3.515 4.745 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.146 5.650 5.186 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.286 2.113 3.099 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.488 3.804 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.128 5.469 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.867 4.186 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.387 4.765 2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.075 6.246 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.098 6.625 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.824 5.382 6.116 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.472 2.737 0.760 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.314 2.732 -0.123 1.00 0.00 C ATOM 1167 C TYR A 78 -3.638 2.061 -1.458 1.00 0.00 C ATOM 1168 O TYR A 78 -3.190 2.505 -2.515 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.144 1.992 0.529 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.471 2.751 1.650 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.208 3.279 2.700 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.093 2.922 1.663 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.592 3.957 3.733 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.531 3.601 2.691 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.222 4.116 3.724 1.00 0.00 C ATOM 1176 OH TYR A 78 0.395 4.792 4.752 1.00 0.00 O ATOM 0 H TYR A 78 -4.494 1.974 1.436 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.040 3.771 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.504 1.039 0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.402 1.765 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.281 3.158 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.500 2.518 0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.180 4.361 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.604 3.728 2.685 1.00 0.00 H new ATOM 0 HH TYR A 78 1.362 4.814 4.595 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.393 0.971 -1.389 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.757 0.198 -2.580 1.00 0.00 C ATOM 1188 C LEU A 79 -6.065 0.656 -3.226 1.00 0.00 C ATOM 1189 O LEU A 79 -6.372 0.267 -4.346 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.774 -1.314 -2.287 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.834 -1.871 -1.313 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.189 -2.217 0.013 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.998 -0.918 -1.092 1.00 0.00 C ATOM 0 H LEU A 79 -4.769 0.597 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.975 0.394 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.894 -1.833 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.793 -1.586 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.245 -2.769 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.945 -2.609 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.416 -2.969 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.742 -1.322 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.709 -1.367 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.627 0.019 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.494 -0.722 -2.043 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.855 1.432 -2.494 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.171 1.890 -2.965 1.00 0.00 C ATOM 1207 C ILE A 80 -8.379 1.735 -4.478 1.00 0.00 C ATOM 1208 O ILE A 80 -7.630 2.264 -5.299 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.422 3.371 -2.611 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.527 4.281 -3.449 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.188 3.618 -1.137 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.055 4.014 -3.253 1.00 0.00 C ATOM 0 H ILE A 80 -6.610 1.764 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.878 1.241 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.463 3.602 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.775 4.153 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.738 5.320 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.371 4.668 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.867 2.997 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.158 3.367 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.476 4.694 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.793 4.170 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.831 2.985 -3.534 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.438 1.005 -4.796 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.857 0.737 -6.166 1.00 0.00 C ATOM 1226 C GLY A 81 -8.747 0.706 -7.203 1.00 0.00 C ATOM 1227 O GLY A 81 -8.958 1.120 -8.343 1.00 0.00 O ATOM 0 H GLY A 81 -10.042 0.574 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.375 -0.222 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.582 1.497 -6.460 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.580 0.199 -6.836 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.490 0.118 -7.792 1.00 0.00 C ATOM 1233 C GLY A 82 -6.499 -1.200 -8.552 1.00 0.00 C ATOM 1234 O GLY A 82 -7.551 -1.820 -8.714 1.00 0.00 O ATOM 0 H GLY A 82 -7.367 -0.155 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.564 0.945 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.540 0.229 -7.270 1.00 0.00 H new ATOM 1238 N THR A 83 -5.327 -1.637 -9.005 1.00 0.00 N ATOM 1239 CA THR A 83 -5.200 -2.898 -9.734 1.00 0.00 C ATOM 1240 C THR A 83 -3.831 -3.513 -9.458 1.00 0.00 C ATOM 1241 O THR A 83 -2.823 -2.814 -9.486 1.00 0.00 O ATOM 1242 CB THR A 83 -5.378 -2.681 -11.239 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.746 -2.513 -11.563 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.844 -3.827 -12.074 1.00 0.00 C ATOM 0 H THR A 83 -4.448 -1.135 -8.880 1.00 0.00 H new ATOM 0 HA THR A 83 -5.982 -3.576 -9.392 1.00 0.00 H new ATOM 0 HB THR A 83 -4.805 -1.784 -11.473 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.268 -2.415 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.001 -3.611 -13.131 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.778 -3.950 -11.883 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.369 -4.745 -11.810 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.790 -4.815 -9.194 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.513 -5.472 -8.916 1.00 0.00 C ATOM 1254 C VAL A 84 -2.327 -6.737 -9.734 1.00 0.00 C ATOM 1255 O VAL A 84 -3.288 -7.337 -10.210 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.329 -5.806 -7.406 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.556 -5.441 -6.586 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -1.961 -7.270 -7.191 1.00 0.00 C ATOM 0 H VAL A 84 -4.606 -5.427 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.750 -4.750 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.499 -5.193 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.382 -5.692 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.749 -4.372 -6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.418 -5.997 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.842 -7.462 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.752 -7.906 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.026 -7.490 -7.706 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.069 -7.143 -9.869 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.729 -8.351 -10.597 1.00 0.00 C ATOM 1270 C ASP A 85 0.553 -8.969 -10.058 1.00 0.00 C ATOM 1271 O ASP A 85 1.457 -8.261 -9.612 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.590 -8.059 -12.085 1.00 0.00 C ATOM 1273 CG ASP A 85 0.271 -6.841 -12.360 1.00 0.00 C ATOM 1274 OD1 ASP A 85 1.417 -6.801 -11.865 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.201 -5.929 -13.071 1.00 0.00 O ATOM 0 H ASP A 85 -0.267 -6.647 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.539 -9.067 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.157 -8.926 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.579 -7.905 -12.516 1.00 0.00 H new ATOM 1280 N TYR A 86 0.628 -10.291 -10.105 1.00 0.00 N ATOM 1281 CA TYR A 86 1.797 -11.006 -9.630 1.00 0.00 C ATOM 1282 C TYR A 86 2.436 -11.794 -10.762 1.00 0.00 C ATOM 1283 O TYR A 86 1.744 -12.424 -11.562 1.00 0.00 O ATOM 1284 CB TYR A 86 1.406 -11.946 -8.498 1.00 0.00 C ATOM 1285 CG TYR A 86 2.248 -11.796 -7.256 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.630 -11.726 -7.336 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.656 -11.730 -6.003 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.403 -11.596 -6.200 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.420 -11.601 -4.860 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.794 -11.535 -4.963 1.00 0.00 C ATOM 1291 OH TYR A 86 4.561 -11.406 -3.828 1.00 0.00 O ATOM 0 H TYR A 86 -0.112 -10.890 -10.470 1.00 0.00 H new ATOM 0 HA TYR A 86 2.522 -10.281 -9.259 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.362 -11.772 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.479 -12.974 -8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.110 -11.774 -8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.580 -11.780 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.479 -11.542 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.945 -11.552 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 86 3.978 -11.377 -3.041 1.00 0.00 H new ATOM 1301 N THR A 87 3.756 -11.757 -10.823 1.00 0.00 N ATOM 1302 CA THR A 87 4.484 -12.474 -11.858 1.00 0.00 C ATOM 1303 C THR A 87 5.809 -13.002 -11.330 1.00 0.00 C ATOM 1304 O THR A 87 6.838 -12.332 -11.420 1.00 0.00 O ATOM 1305 CB THR A 87 4.729 -11.567 -13.065 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.503 -11.122 -13.616 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.512 -12.241 -14.173 1.00 0.00 C ATOM 0 H THR A 87 4.345 -11.240 -10.170 1.00 0.00 H new ATOM 0 HA THR A 87 3.874 -13.323 -12.168 1.00 0.00 H new ATOM 0 HB THR A 87 5.316 -10.732 -12.683 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.682 -10.542 -14.386 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.650 -11.542 -14.998 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.485 -12.552 -13.794 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.964 -13.115 -14.526 1.00 0.00 H new ATOM 1413 N PHE A 95 6.154 -8.216 -7.353 1.00 0.00 N ATOM 1414 CA PHE A 95 4.776 -7.815 -7.101 1.00 0.00 C ATOM 1415 C PHE A 95 4.584 -6.321 -7.316 1.00 0.00 C ATOM 1416 O PHE A 95 5.325 -5.507 -6.764 1.00 0.00 O ATOM 1417 CB PHE A 95 4.382 -8.171 -5.667 1.00 0.00 C ATOM 1418 CG PHE A 95 2.909 -8.081 -5.413 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.010 -8.724 -6.247 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.421 -7.352 -4.341 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.652 -8.641 -6.018 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.064 -7.263 -4.108 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.178 -7.908 -4.948 1.00 0.00 C ATOM 0 HA PHE A 95 4.141 -8.351 -7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.720 -9.184 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.903 -7.505 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.376 -9.297 -7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.110 -6.848 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.039 -9.149 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.695 -6.690 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.885 -7.839 -4.768 1.00 0.00 H new ATOM 1433 N THR A 96 3.578 -5.957 -8.106 1.00 0.00 N ATOM 1434 CA THR A 96 3.300 -4.547 -8.357 1.00 0.00 C ATOM 1435 C THR A 96 1.802 -4.288 -8.461 1.00 0.00 C ATOM 1436 O THR A 96 1.048 -5.110 -8.981 1.00 0.00 O ATOM 1437 CB THR A 96 4.009 -4.064 -9.622 1.00 0.00 C ATOM 1438 OG1 THR A 96 5.256 -4.717 -9.780 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.267 -2.569 -9.620 1.00 0.00 C ATOM 0 H THR A 96 2.950 -6.608 -8.577 1.00 0.00 H new ATOM 0 HA THR A 96 3.686 -3.983 -7.508 1.00 0.00 H new ATOM 0 HB THR A 96 3.336 -4.303 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.693 -4.395 -10.596 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.772 -2.286 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.319 -2.036 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.895 -2.309 -8.768 1.00 0.00 H new ATOM 1447 N VAL A 97 1.386 -3.137 -7.951 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.017 -2.741 -7.962 1.00 0.00 C ATOM 1449 C VAL A 97 -0.178 -1.370 -8.620 1.00 0.00 C ATOM 1450 O VAL A 97 0.811 -0.710 -8.937 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.597 -2.701 -6.527 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -2.113 -2.722 -6.548 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -0.072 -3.862 -5.688 1.00 0.00 C ATOM 0 H VAL A 97 2.008 -2.453 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.568 -3.484 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.269 -1.767 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.491 -2.693 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.481 -1.855 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.458 -3.633 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.496 -3.808 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.359 -4.805 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.015 -3.804 -5.626 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.420 -0.949 -8.834 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.690 0.340 -9.462 1.00 0.00 C ATOM 1465 C ASN A 98 -2.836 1.054 -8.759 1.00 0.00 C ATOM 1466 O ASN A 98 -3.866 0.450 -8.470 1.00 0.00 O ATOM 1467 CB ASN A 98 -2.027 0.148 -10.941 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.804 -0.188 -11.770 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.100 0.634 -11.925 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.768 -1.401 -12.310 1.00 0.00 N ATOM 0 H ASN A 98 -2.254 -1.480 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.794 0.954 -9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.763 -0.650 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.487 1.057 -11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.031 -1.683 -12.879 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.539 -2.051 -12.156 1.00 0.00 H new