USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 555 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 Single : A 12 CYS SG : rot 180:sc= -0.935 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.74 K(o=-2.7,f=-3.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= 0.148 (180deg=-0.177) USER MOD Single : A 57 GLN : amide:sc=-0.000111 K(o=-0.00011,f=-2.2!) USER MOD Single : A 60 THR OG1 : rot 48:sc= 0.619 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.000997 X(o=-0.001,f=-0.15) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot -132:sc= -1.87 USER MOD Single : A 76 CYS SG : rot -160:sc= -2.35 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.908 1.297 3.973 1.00 0.00 N ATOM 69 CA ILE A 8 8.730 1.902 4.583 1.00 0.00 C ATOM 70 C ILE A 8 7.823 0.840 5.194 1.00 0.00 C ATOM 71 O ILE A 8 7.683 -0.257 4.656 1.00 0.00 O ATOM 72 CB ILE A 8 7.923 2.722 3.556 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.840 3.691 2.806 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.798 3.477 4.248 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.563 3.754 1.319 1.00 0.00 C ATOM 0 HA ILE A 8 9.087 2.568 5.368 1.00 0.00 H new ATOM 0 HB ILE A 8 7.483 2.036 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.728 4.688 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.877 3.393 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.237 4.051 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.132 2.768 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.218 4.154 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.249 4.460 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.703 2.766 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.537 4.082 1.154 1.00 0.00 H new ATOM 87 N ASP A 9 7.209 1.175 6.325 1.00 0.00 N ATOM 88 CA ASP A 9 6.313 0.252 7.012 1.00 0.00 C ATOM 89 C ASP A 9 5.080 0.981 7.535 1.00 0.00 C ATOM 90 O ASP A 9 4.942 2.192 7.361 1.00 0.00 O ATOM 91 CB ASP A 9 7.042 -0.436 8.167 1.00 0.00 C ATOM 92 CG ASP A 9 7.985 -1.524 7.691 1.00 0.00 C ATOM 93 OD1 ASP A 9 7.519 -2.664 7.485 1.00 0.00 O ATOM 94 OD2 ASP A 9 9.188 -1.236 7.524 1.00 0.00 O ATOM 0 H ASP A 9 7.316 2.079 6.785 1.00 0.00 H new ATOM 0 HA ASP A 9 5.990 -0.503 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.605 0.307 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.310 -0.867 8.850 1.00 0.00 H new ATOM 99 N VAL A 10 4.185 0.237 8.178 1.00 0.00 N ATOM 100 CA VAL A 10 2.965 0.815 8.727 1.00 0.00 C ATOM 101 C VAL A 10 3.284 1.821 9.829 1.00 0.00 C ATOM 102 O VAL A 10 4.092 1.548 10.716 1.00 0.00 O ATOM 103 CB VAL A 10 2.029 -0.272 9.289 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.711 0.337 9.748 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.787 -1.357 8.250 1.00 0.00 C ATOM 0 H VAL A 10 4.282 -0.767 8.331 1.00 0.00 H new ATOM 0 HA VAL A 10 2.459 1.326 7.908 1.00 0.00 H new ATOM 0 HB VAL A 10 2.512 -0.727 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.065 -0.448 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.903 1.074 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.221 0.822 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.124 -2.116 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.327 -0.917 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.737 -1.816 7.975 1.00 0.00 H new ATOM 115 N GLY A 11 2.646 2.983 9.763 1.00 0.00 N ATOM 116 CA GLY A 11 2.874 4.013 10.759 1.00 0.00 C ATOM 117 C GLY A 11 4.088 4.864 10.442 1.00 0.00 C ATOM 118 O GLY A 11 4.909 5.136 11.318 1.00 0.00 O ATOM 0 H GLY A 11 1.974 3.231 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.993 4.652 10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.005 3.548 11.736 1.00 0.00 H new ATOM 122 N CYS A 12 4.203 5.283 9.185 1.00 0.00 N ATOM 123 CA CYS A 12 5.328 6.107 8.758 1.00 0.00 C ATOM 124 C CYS A 12 4.922 7.036 7.615 1.00 0.00 C ATOM 125 O CYS A 12 4.129 6.660 6.752 1.00 0.00 O ATOM 126 CB CYS A 12 6.498 5.221 8.321 1.00 0.00 C ATOM 127 SG CYS A 12 8.072 5.639 9.107 1.00 0.00 S ATOM 0 H CYS A 12 3.533 5.066 8.447 1.00 0.00 H new ATOM 0 HA CYS A 12 5.640 6.719 9.604 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.257 4.182 8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.613 5.296 7.240 1.00 0.00 H new ATOM 0 HG CYS A 12 8.999 4.835 8.677 1.00 0.00 H new ATOM 133 N PRO A 13 5.463 8.268 7.593 1.00 0.00 N ATOM 134 CA PRO A 13 5.151 9.248 6.550 1.00 0.00 C ATOM 135 C PRO A 13 5.847 8.929 5.230 1.00 0.00 C ATOM 136 O PRO A 13 7.017 8.549 5.210 1.00 0.00 O ATOM 137 CB PRO A 13 5.683 10.556 7.132 1.00 0.00 C ATOM 138 CG PRO A 13 6.806 10.143 8.020 1.00 0.00 C ATOM 139 CD PRO A 13 6.419 8.800 8.584 1.00 0.00 C ATOM 0 HA PRO A 13 4.088 9.271 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.026 11.229 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.910 11.085 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.740 10.077 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.961 10.871 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.285 8.148 8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.963 8.896 9.569 1.00 0.00 H new ATOM 147 N VAL A 14 5.118 9.087 4.131 1.00 0.00 N ATOM 148 CA VAL A 14 5.663 8.818 2.807 1.00 0.00 C ATOM 149 C VAL A 14 4.872 9.546 1.726 1.00 0.00 C ATOM 150 O VAL A 14 3.643 9.601 1.773 1.00 0.00 O ATOM 151 CB VAL A 14 5.666 7.309 2.495 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.732 6.595 3.310 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.293 6.707 2.755 1.00 0.00 C ATOM 0 H VAL A 14 4.147 9.400 4.132 1.00 0.00 H new ATOM 0 HA VAL A 14 6.690 9.183 2.810 1.00 0.00 H new ATOM 0 HB VAL A 14 5.902 7.177 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.718 5.531 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.712 7.007 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.532 6.735 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.314 5.641 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.025 6.851 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.555 7.197 2.121 1.00 0.00 H new ATOM 163 N LYS A 15 5.584 10.105 0.753 1.00 0.00 N ATOM 164 CA LYS A 15 4.949 10.831 -0.340 1.00 0.00 C ATOM 165 C LYS A 15 4.470 9.873 -1.425 1.00 0.00 C ATOM 166 O LYS A 15 5.243 9.066 -1.942 1.00 0.00 O ATOM 167 CB LYS A 15 5.922 11.849 -0.937 1.00 0.00 C ATOM 168 CG LYS A 15 6.580 12.744 0.102 1.00 0.00 C ATOM 169 CD LYS A 15 7.138 14.010 -0.527 1.00 0.00 C ATOM 170 CE LYS A 15 7.414 15.077 0.520 1.00 0.00 C ATOM 171 NZ LYS A 15 8.646 15.854 0.210 1.00 0.00 N ATOM 0 H LYS A 15 6.602 10.069 0.699 1.00 0.00 H new ATOM 0 HA LYS A 15 4.084 11.357 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.697 11.318 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.388 12.472 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.853 13.008 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.383 12.198 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.059 13.777 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.431 14.394 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.563 15.755 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.517 14.607 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.799 16.571 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.463 15.211 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.538 16.323 -0.712 1.00 0.00 H new ATOM 185 N VAL A 16 3.190 9.970 -1.768 1.00 0.00 N ATOM 186 CA VAL A 16 2.604 9.114 -2.793 1.00 0.00 C ATOM 187 C VAL A 16 2.398 9.881 -4.094 1.00 0.00 C ATOM 188 O VAL A 16 1.969 11.035 -4.085 1.00 0.00 O ATOM 189 CB VAL A 16 1.255 8.530 -2.334 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.752 7.498 -3.333 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.377 7.923 -0.944 1.00 0.00 C ATOM 0 H VAL A 16 2.538 10.634 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 16 3.305 8.296 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 16 0.528 9.341 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.202 7.096 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.620 7.969 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.477 6.689 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.413 7.516 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.119 7.125 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.686 8.693 -0.237 1.00 0.00 H new ATOM 201 N GLN A 17 2.705 9.232 -5.213 1.00 0.00 N ATOM 202 CA GLN A 17 2.551 9.854 -6.524 1.00 0.00 C ATOM 203 C GLN A 17 1.302 9.337 -7.229 1.00 0.00 C ATOM 204 O GLN A 17 1.232 8.169 -7.611 1.00 0.00 O ATOM 205 CB GLN A 17 3.786 9.586 -7.386 1.00 0.00 C ATOM 206 CG GLN A 17 4.072 10.684 -8.398 1.00 0.00 C ATOM 207 CD GLN A 17 5.490 10.632 -8.930 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.188 9.629 -8.774 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.925 11.716 -9.562 1.00 0.00 N ATOM 0 H GLN A 17 3.061 8.277 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 17 2.444 10.929 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.653 9.467 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.652 8.642 -7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.373 10.598 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.897 11.655 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.312 12.525 -9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.872 11.740 -9.941 1.00 0.00 H new ATOM 218 N LEU A 18 0.318 10.213 -7.397 1.00 0.00 N ATOM 219 CA LEU A 18 -0.930 9.846 -8.056 1.00 0.00 C ATOM 220 C LEU A 18 -0.808 9.990 -9.569 1.00 0.00 C ATOM 221 O LEU A 18 -1.310 9.158 -10.324 1.00 0.00 O ATOM 222 CB LEU A 18 -2.078 10.714 -7.540 1.00 0.00 C ATOM 223 CG LEU A 18 -2.738 10.218 -6.251 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.905 11.114 -5.871 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.199 8.777 -6.409 1.00 0.00 C ATOM 0 H LEU A 18 0.360 11.183 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.141 8.802 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.703 11.724 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.839 10.782 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.001 10.257 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.362 10.746 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.547 12.132 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.644 11.108 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.666 8.441 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.921 8.713 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.341 8.143 -6.634 1.00 0.00 H new ATOM 237 N ARG A 19 -0.138 11.053 -10.005 1.00 0.00 N ATOM 238 CA ARG A 19 0.049 11.306 -11.429 1.00 0.00 C ATOM 239 C ARG A 19 1.251 10.534 -11.966 1.00 0.00 C ATOM 240 O ARG A 19 1.880 9.763 -11.242 1.00 0.00 O ATOM 241 CB ARG A 19 0.232 12.805 -11.680 1.00 0.00 C ATOM 242 CG ARG A 19 -0.675 13.353 -12.770 1.00 0.00 C ATOM 243 CD ARG A 19 -2.074 13.629 -12.241 1.00 0.00 C ATOM 244 NE ARG A 19 -2.928 14.250 -13.250 1.00 0.00 N ATOM 245 CZ ARG A 19 -4.256 14.292 -13.173 1.00 0.00 C ATOM 246 NH1 ARG A 19 -4.884 13.751 -12.137 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.958 14.878 -14.134 1.00 0.00 N ATOM 0 H ARG A 19 0.284 11.752 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.842 10.963 -11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.041 13.346 -10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.270 12.996 -11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.249 14.272 -13.172 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.730 12.640 -13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.527 12.695 -11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.010 14.280 -11.369 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.480 14.677 -14.061 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.349 13.300 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.902 13.786 -12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.480 15.296 -14.932 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.976 14.910 -14.075 1.00 0.00 H new ATOM 261 N SER A 20 1.564 10.748 -13.240 1.00 0.00 N ATOM 262 CA SER A 20 2.690 10.073 -13.874 1.00 0.00 C ATOM 263 C SER A 20 3.908 10.991 -13.939 1.00 0.00 C ATOM 264 O SER A 20 4.542 11.127 -14.987 1.00 0.00 O ATOM 265 CB SER A 20 2.306 9.610 -15.281 1.00 0.00 C ATOM 266 OG SER A 20 1.884 10.701 -16.080 1.00 0.00 O ATOM 0 H SER A 20 1.054 11.383 -13.853 1.00 0.00 H new ATOM 0 HA SER A 20 2.948 9.202 -13.271 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.158 9.119 -15.751 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.507 8.871 -15.219 1.00 0.00 H new ATOM 0 HG SER A 20 1.646 10.379 -16.974 1.00 0.00 H new ATOM 272 N GLY A 21 4.228 11.619 -12.814 1.00 0.00 N ATOM 273 CA GLY A 21 5.367 12.517 -12.763 1.00 0.00 C ATOM 274 C GLY A 21 4.956 13.976 -12.725 1.00 0.00 C ATOM 275 O GLY A 21 5.361 14.765 -13.578 1.00 0.00 O ATOM 0 H GLY A 21 3.719 11.523 -11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.966 12.289 -11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.001 12.344 -13.633 1.00 0.00 H new ATOM 279 N GLU A 22 4.150 14.334 -11.730 1.00 0.00 N ATOM 280 CA GLU A 22 3.683 15.707 -11.583 1.00 0.00 C ATOM 281 C GLU A 22 3.929 16.217 -10.166 1.00 0.00 C ATOM 282 O GLU A 22 4.650 17.194 -9.964 1.00 0.00 O ATOM 283 CB GLU A 22 2.192 15.800 -11.919 1.00 0.00 C ATOM 284 CG GLU A 22 1.831 17.025 -12.743 1.00 0.00 C ATOM 285 CD GLU A 22 1.811 16.741 -14.233 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.043 15.854 -14.658 1.00 0.00 O ATOM 287 OE2 GLU A 22 2.564 17.407 -14.974 1.00 0.00 O ATOM 0 H GLU A 22 3.807 13.693 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 22 4.245 16.331 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.894 14.905 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.619 15.814 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.852 17.391 -12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.548 17.820 -12.538 1.00 0.00 H new ATOM 294 N GLU A 23 3.327 15.546 -9.189 1.00 0.00 N ATOM 295 CA GLU A 23 3.482 15.931 -7.791 1.00 0.00 C ATOM 296 C GLU A 23 3.090 14.784 -6.865 1.00 0.00 C ATOM 297 O GLU A 23 2.186 14.007 -7.171 1.00 0.00 O ATOM 298 CB GLU A 23 2.635 17.169 -7.484 1.00 0.00 C ATOM 299 CG GLU A 23 3.443 18.339 -6.946 1.00 0.00 C ATOM 300 CD GLU A 23 3.183 19.627 -7.704 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.852 19.854 -8.735 1.00 0.00 O ATOM 302 OE2 GLU A 23 2.311 20.408 -7.268 1.00 0.00 O ATOM 0 H GLU A 23 2.728 14.734 -9.340 1.00 0.00 H new ATOM 0 HA GLU A 23 4.532 16.169 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.119 17.481 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.867 16.903 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.203 18.487 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.505 18.098 -7.001 1.00 0.00 H new ATOM 309 N LYS A 24 3.775 14.686 -5.730 1.00 0.00 N ATOM 310 CA LYS A 24 3.498 13.634 -4.758 1.00 0.00 C ATOM 311 C LYS A 24 2.838 14.209 -3.509 1.00 0.00 C ATOM 312 O LYS A 24 3.067 15.363 -3.149 1.00 0.00 O ATOM 313 CB LYS A 24 4.790 12.909 -4.378 1.00 0.00 C ATOM 314 CG LYS A 24 5.290 11.954 -5.449 1.00 0.00 C ATOM 315 CD LYS A 24 6.064 10.794 -4.842 1.00 0.00 C ATOM 316 CE LYS A 24 7.106 10.254 -5.808 1.00 0.00 C ATOM 317 NZ LYS A 24 7.229 8.773 -5.721 1.00 0.00 N ATOM 0 H LYS A 24 4.526 15.322 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 24 2.811 12.922 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.564 13.648 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.627 12.353 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.444 11.570 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.929 12.493 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.552 11.122 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.372 9.997 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.838 10.537 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.072 10.712 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.135 8.526 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.447 8.393 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.191 8.365 -6.677 1.00 0.00 H new ATOM 331 N PHE A 25 2.017 13.395 -2.852 1.00 0.00 N ATOM 332 CA PHE A 25 1.323 13.822 -1.642 1.00 0.00 C ATOM 333 C PHE A 25 1.820 13.040 -0.425 1.00 0.00 C ATOM 334 O PHE A 25 1.835 11.810 -0.437 1.00 0.00 O ATOM 335 CB PHE A 25 -0.186 13.632 -1.803 1.00 0.00 C ATOM 336 CG PHE A 25 -0.781 14.454 -2.909 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.484 15.802 -3.025 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.639 13.878 -3.833 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.031 16.562 -4.042 1.00 0.00 C ATOM 340 CE2 PHE A 25 -2.188 14.633 -4.853 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.884 15.976 -4.957 1.00 0.00 C ATOM 0 H PHE A 25 1.816 12.436 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 25 1.535 14.879 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.393 12.579 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.678 13.889 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.183 16.265 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.881 12.828 -3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.792 17.612 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.854 14.173 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.313 16.567 -5.753 1.00 0.00 H new ATOM 351 N PRO A 26 2.234 13.742 0.646 1.00 0.00 N ATOM 352 CA PRO A 26 2.729 13.097 1.865 1.00 0.00 C ATOM 353 C PRO A 26 1.609 12.455 2.676 1.00 0.00 C ATOM 354 O PRO A 26 0.487 12.958 2.710 1.00 0.00 O ATOM 355 CB PRO A 26 3.359 14.252 2.643 1.00 0.00 C ATOM 356 CG PRO A 26 2.608 15.458 2.195 1.00 0.00 C ATOM 357 CD PRO A 26 2.252 15.215 0.754 1.00 0.00 C ATOM 0 HA PRO A 26 3.422 12.284 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.266 14.103 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.423 14.344 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.712 15.606 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.215 16.357 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.284 15.648 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.985 15.658 0.079 1.00 0.00 H new ATOM 365 N GLY A 27 1.923 11.339 3.329 1.00 0.00 N ATOM 366 CA GLY A 27 0.931 10.647 4.130 1.00 0.00 C ATOM 367 C GLY A 27 1.537 9.550 4.983 1.00 0.00 C ATOM 368 O GLY A 27 2.578 8.989 4.639 1.00 0.00 O ATOM 0 H GLY A 27 2.845 10.903 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.423 11.365 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.174 10.217 3.474 1.00 0.00 H new ATOM 372 N VAL A 28 0.885 9.241 6.099 1.00 0.00 N ATOM 373 CA VAL A 28 1.364 8.203 7.003 1.00 0.00 C ATOM 374 C VAL A 28 0.723 6.857 6.681 1.00 0.00 C ATOM 375 O VAL A 28 -0.472 6.781 6.393 1.00 0.00 O ATOM 376 CB VAL A 28 1.077 8.564 8.475 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.421 8.700 8.715 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.684 7.527 9.409 1.00 0.00 C ATOM 0 H VAL A 28 0.023 9.696 6.399 1.00 0.00 H new ATOM 0 HA VAL A 28 2.442 8.129 6.861 1.00 0.00 H new ATOM 0 HB VAL A 28 1.541 9.527 8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.600 8.955 9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.822 9.486 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.914 7.756 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.471 7.799 10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.254 6.549 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.763 7.489 9.259 1.00 0.00 H new ATOM 388 N VAL A 29 1.523 5.798 6.731 1.00 0.00 N ATOM 389 CA VAL A 29 1.034 4.455 6.444 1.00 0.00 C ATOM 390 C VAL A 29 0.158 3.935 7.580 1.00 0.00 C ATOM 391 O VAL A 29 0.516 4.042 8.752 1.00 0.00 O ATOM 392 CB VAL A 29 2.194 3.469 6.214 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.670 2.137 5.701 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.212 4.058 5.248 1.00 0.00 C ATOM 0 H VAL A 29 2.514 5.844 6.968 1.00 0.00 H new ATOM 0 HA VAL A 29 0.441 4.524 5.532 1.00 0.00 H new ATOM 0 HB VAL A 29 2.692 3.294 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.505 1.454 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.984 1.710 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.146 2.291 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.025 3.347 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.730 4.265 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.612 4.984 5.661 1.00 0.00 H new ATOM 404 N ARG A 30 -0.992 3.372 7.223 1.00 0.00 N ATOM 405 CA ARG A 30 -1.920 2.837 8.213 1.00 0.00 C ATOM 406 C ARG A 30 -2.077 1.326 8.057 1.00 0.00 C ATOM 407 O ARG A 30 -2.321 0.616 9.032 1.00 0.00 O ATOM 408 CB ARG A 30 -3.283 3.518 8.084 1.00 0.00 C ATOM 409 CG ARG A 30 -3.249 5.009 8.380 1.00 0.00 C ATOM 410 CD ARG A 30 -2.668 5.292 9.755 1.00 0.00 C ATOM 411 NE ARG A 30 -3.212 6.518 10.338 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.723 7.100 11.431 1.00 0.00 C ATOM 413 NH1 ARG A 30 -1.681 6.573 12.063 1.00 0.00 N ATOM 414 NH2 ARG A 30 -3.278 8.211 11.893 1.00 0.00 N ATOM 0 H ARG A 30 -1.303 3.274 6.257 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.511 3.040 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.662 3.365 7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.986 3.037 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.655 5.518 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.258 5.416 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.878 4.452 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.584 5.376 9.680 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.013 6.953 9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.251 5.718 11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.311 7.024 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.079 8.619 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.904 8.658 12.730 1.00 0.00 H new ATOM 428 N PHE A 31 -1.937 0.842 6.827 1.00 0.00 N ATOM 429 CA PHE A 31 -2.067 -0.584 6.549 1.00 0.00 C ATOM 430 C PHE A 31 -1.069 -1.025 5.483 1.00 0.00 C ATOM 431 O PHE A 31 -0.445 -0.194 4.822 1.00 0.00 O ATOM 432 CB PHE A 31 -3.490 -0.908 6.097 1.00 0.00 C ATOM 433 CG PHE A 31 -3.850 -2.360 6.235 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.211 -2.883 7.467 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.826 -3.201 5.135 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.541 -4.218 7.598 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.155 -4.537 5.259 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.513 -5.047 6.492 1.00 0.00 C ATOM 0 H PHE A 31 -1.734 1.415 6.008 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.852 -1.129 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.192 -0.311 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.608 -0.611 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.235 -2.240 8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.547 -2.808 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.821 -4.614 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.132 -5.182 4.393 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.770 -6.091 6.592 1.00 0.00 H new ATOM 448 N ARG A 32 -0.926 -2.336 5.319 1.00 0.00 N ATOM 449 CA ARG A 32 -0.005 -2.889 4.333 1.00 0.00 C ATOM 450 C ARG A 32 -0.352 -4.340 4.020 1.00 0.00 C ATOM 451 O ARG A 32 -0.406 -5.182 4.916 1.00 0.00 O ATOM 452 CB ARG A 32 1.436 -2.792 4.838 1.00 0.00 C ATOM 453 CG ARG A 32 2.462 -3.340 3.860 1.00 0.00 C ATOM 454 CD ARG A 32 3.746 -3.743 4.568 1.00 0.00 C ATOM 455 NE ARG A 32 3.530 -4.835 5.514 1.00 0.00 N ATOM 456 CZ ARG A 32 4.509 -5.578 6.024 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.771 -5.352 5.681 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.226 -6.552 6.878 1.00 0.00 N ATOM 0 H ARG A 32 -1.437 -3.036 5.857 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.099 -2.306 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.669 -1.748 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.519 -3.334 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.046 -4.203 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.683 -2.587 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.488 -4.045 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.155 -2.881 5.096 1.00 0.00 H new ATOM 0 HE ARG A 32 2.573 -5.040 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.995 -4.605 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.517 -5.925 6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.258 -6.732 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.976 -7.122 7.269 1.00 0.00 H new ATOM 472 N GLY A 33 -0.585 -4.626 2.744 1.00 0.00 N ATOM 473 CA GLY A 33 -0.922 -5.977 2.336 1.00 0.00 C ATOM 474 C GLY A 33 -1.422 -6.045 0.904 1.00 0.00 C ATOM 475 O GLY A 33 -2.085 -5.120 0.434 1.00 0.00 O ATOM 0 H GLY A 33 -0.547 -3.946 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.044 -6.614 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.687 -6.375 3.004 1.00 0.00 H new ATOM 479 N PRO A 34 -1.117 -7.134 0.177 1.00 0.00 N ATOM 480 CA PRO A 34 -1.549 -7.301 -1.216 1.00 0.00 C ATOM 481 C PRO A 34 -3.059 -7.160 -1.373 1.00 0.00 C ATOM 482 O PRO A 34 -3.755 -6.743 -0.447 1.00 0.00 O ATOM 483 CB PRO A 34 -1.109 -8.726 -1.563 1.00 0.00 C ATOM 484 CG PRO A 34 0.000 -9.026 -0.613 1.00 0.00 C ATOM 485 CD PRO A 34 -0.330 -8.287 0.653 1.00 0.00 C ATOM 0 HA PRO A 34 -1.119 -6.540 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.931 -9.433 -1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.773 -8.795 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.078 -10.098 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.959 -8.700 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.902 -8.907 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.570 -7.970 1.180 1.00 0.00 H new ATOM 628 N ILE A 44 2.425 -6.376 -2.711 1.00 0.00 N ATOM 629 CA ILE A 44 1.939 -5.875 -1.430 1.00 0.00 C ATOM 630 C ILE A 44 1.635 -4.382 -1.504 1.00 0.00 C ATOM 631 O ILE A 44 2.501 -3.579 -1.851 1.00 0.00 O ATOM 632 CB ILE A 44 2.960 -6.125 -0.305 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.437 -7.577 -0.332 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.352 -5.785 1.047 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.595 -7.850 0.604 1.00 0.00 C ATOM 0 HA ILE A 44 1.022 -6.419 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 44 3.822 -5.478 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.605 -8.229 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.733 -7.835 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.086 -5.967 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.059 -4.735 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.475 -6.409 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.881 -8.899 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.443 -7.223 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.296 -7.624 1.628 1.00 0.00 H new ATOM 647 N PHE A 45 0.399 -4.018 -1.178 1.00 0.00 N ATOM 648 CA PHE A 45 -0.018 -2.622 -1.207 1.00 0.00 C ATOM 649 C PHE A 45 0.219 -1.954 0.143 1.00 0.00 C ATOM 650 O PHE A 45 0.128 -2.596 1.189 1.00 0.00 O ATOM 651 CB PHE A 45 -1.496 -2.518 -1.588 1.00 0.00 C ATOM 652 CG PHE A 45 -1.751 -2.692 -3.058 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.659 -1.614 -3.924 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.083 -3.935 -3.574 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.892 -1.772 -5.277 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.319 -4.099 -4.926 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.223 -3.016 -5.778 1.00 0.00 C ATOM 0 H PHE A 45 -0.331 -4.671 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 45 0.581 -2.106 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.058 -3.273 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.876 -1.546 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.402 -0.639 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.158 -4.785 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.815 -0.924 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.578 -5.072 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.407 -3.142 -6.835 1.00 0.00 H new ATOM 667 N PHE A 46 0.524 -0.660 0.113 1.00 0.00 N ATOM 668 CA PHE A 46 0.774 0.096 1.335 1.00 0.00 C ATOM 669 C PHE A 46 -0.258 1.205 1.510 1.00 0.00 C ATOM 670 O PHE A 46 -0.284 2.170 0.745 1.00 0.00 O ATOM 671 CB PHE A 46 2.181 0.694 1.308 1.00 0.00 C ATOM 672 CG PHE A 46 3.249 -0.265 1.752 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.518 -1.410 1.020 1.00 0.00 C ATOM 674 CD2 PHE A 46 3.983 -0.021 2.903 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.499 -2.294 1.426 1.00 0.00 C ATOM 676 CE2 PHE A 46 4.965 -0.901 3.313 1.00 0.00 C ATOM 677 CZ PHE A 46 5.224 -2.039 2.574 1.00 0.00 C ATOM 0 H PHE A 46 0.604 -0.113 -0.744 1.00 0.00 H new ATOM 0 HA PHE A 46 0.692 -0.588 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.405 1.031 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.205 1.575 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.954 -1.614 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.784 0.867 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.699 -3.183 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.530 -0.700 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.992 -2.728 2.893 1.00 0.00 H new ATOM 687 N GLY A 47 -1.109 1.060 2.521 1.00 0.00 N ATOM 688 CA GLY A 47 -2.131 2.058 2.778 1.00 0.00 C ATOM 689 C GLY A 47 -1.575 3.298 3.448 1.00 0.00 C ATOM 690 O GLY A 47 -1.178 3.258 4.613 1.00 0.00 O ATOM 0 H GLY A 47 -1.109 0.270 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.605 2.339 1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.907 1.625 3.409 1.00 0.00 H new ATOM 694 N VAL A 48 -1.543 4.403 2.711 1.00 0.00 N ATOM 695 CA VAL A 48 -1.029 5.662 3.240 1.00 0.00 C ATOM 696 C VAL A 48 -2.121 6.726 3.279 1.00 0.00 C ATOM 697 O VAL A 48 -2.841 6.927 2.302 1.00 0.00 O ATOM 698 CB VAL A 48 0.150 6.184 2.398 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.794 7.387 3.068 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.173 5.080 2.172 1.00 0.00 C ATOM 0 H VAL A 48 -1.867 4.453 1.745 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.682 5.463 4.254 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.232 6.500 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.625 7.742 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.056 8.183 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.163 7.101 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.999 5.466 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.551 4.732 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.702 4.250 1.645 1.00 0.00 H new ATOM 710 N GLU A 49 -2.236 7.405 4.417 1.00 0.00 N ATOM 711 CA GLU A 49 -3.240 8.450 4.583 1.00 0.00 C ATOM 712 C GLU A 49 -2.699 9.802 4.127 1.00 0.00 C ATOM 713 O GLU A 49 -1.732 10.316 4.689 1.00 0.00 O ATOM 714 CB GLU A 49 -3.684 8.532 6.044 1.00 0.00 C ATOM 715 CG GLU A 49 -4.767 9.569 6.293 1.00 0.00 C ATOM 716 CD GLU A 49 -5.040 9.785 7.769 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.081 10.080 8.513 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.213 9.658 8.180 1.00 0.00 O ATOM 0 H GLU A 49 -1.648 7.250 5.236 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.100 8.195 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.049 7.555 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.819 8.765 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.470 10.515 5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.687 9.254 5.800 1.00 0.00 H new ATOM 725 N LEU A 50 -3.328 10.370 3.105 1.00 0.00 N ATOM 726 CA LEU A 50 -2.910 11.662 2.571 1.00 0.00 C ATOM 727 C LEU A 50 -2.972 12.743 3.645 1.00 0.00 C ATOM 728 O LEU A 50 -3.944 12.833 4.395 1.00 0.00 O ATOM 729 CB LEU A 50 -3.791 12.057 1.383 1.00 0.00 C ATOM 730 CG LEU A 50 -3.701 11.125 0.173 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.860 11.375 -0.779 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.371 11.311 -0.542 1.00 0.00 C ATOM 0 H LEU A 50 -4.130 9.957 2.629 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.877 11.569 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.828 12.096 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.519 13.064 1.068 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.762 10.095 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.780 10.703 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.802 11.193 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.830 12.408 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.323 10.641 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.282 12.343 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.555 11.083 0.143 1.00 0.00 H new ATOM 744 N LEU A 51 -1.928 13.563 3.713 1.00 0.00 N ATOM 745 CA LEU A 51 -1.862 14.639 4.693 1.00 0.00 C ATOM 746 C LEU A 51 -2.686 15.839 4.237 1.00 0.00 C ATOM 747 O LEU A 51 -3.297 15.816 3.169 1.00 0.00 O ATOM 748 CB LEU A 51 -0.408 15.057 4.926 1.00 0.00 C ATOM 749 CG LEU A 51 0.212 14.543 6.227 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.674 14.176 6.015 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.076 15.583 7.329 1.00 0.00 C ATOM 0 H LEU A 51 -1.115 13.502 3.100 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.279 14.271 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.195 14.703 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.353 16.146 4.920 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.325 13.645 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.097 13.813 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.747 13.396 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.226 15.056 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.522 15.201 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.587 16.498 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.979 15.796 7.500 1.00 0.00 H new ATOM 763 N GLU A 52 -2.700 16.888 5.054 1.00 0.00 N ATOM 764 CA GLU A 52 -3.449 18.099 4.735 1.00 0.00 C ATOM 765 C GLU A 52 -3.042 18.653 3.374 1.00 0.00 C ATOM 766 O GLU A 52 -3.849 19.270 2.678 1.00 0.00 O ATOM 767 CB GLU A 52 -3.228 19.159 5.816 1.00 0.00 C ATOM 768 CG GLU A 52 -1.764 19.502 6.041 1.00 0.00 C ATOM 769 CD GLU A 52 -1.528 20.214 7.359 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.727 21.446 7.413 1.00 0.00 O ATOM 771 OE2 GLU A 52 -1.143 19.539 8.337 1.00 0.00 O ATOM 0 H GLU A 52 -2.201 16.924 5.943 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.507 17.840 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.767 20.065 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.658 18.806 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.172 18.587 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.412 20.132 5.224 1.00 0.00 H new ATOM 778 N GLU A 53 -1.788 18.427 2.998 1.00 0.00 N ATOM 779 CA GLU A 53 -1.275 18.903 1.718 1.00 0.00 C ATOM 780 C GLU A 53 -2.022 18.252 0.560 1.00 0.00 C ATOM 781 O GLU A 53 -2.647 18.933 -0.252 1.00 0.00 O ATOM 782 CB GLU A 53 0.222 18.614 1.604 1.00 0.00 C ATOM 783 CG GLU A 53 0.970 19.611 0.734 1.00 0.00 C ATOM 784 CD GLU A 53 1.413 19.015 -0.588 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.794 17.826 -0.606 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.378 19.738 -1.606 1.00 0.00 O ATOM 0 H GLU A 53 -1.108 17.917 3.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.432 19.981 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.661 18.615 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.360 17.613 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.330 20.473 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.843 19.976 1.275 1.00 0.00 H new ATOM 793 N GLY A 54 -1.955 16.926 0.490 1.00 0.00 N ATOM 794 CA GLY A 54 -2.629 16.204 -0.572 1.00 0.00 C ATOM 795 C GLY A 54 -3.928 15.575 -0.110 1.00 0.00 C ATOM 796 O GLY A 54 -4.335 14.527 -0.614 1.00 0.00 O ATOM 0 H GLY A 54 -1.445 16.339 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.832 16.885 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.968 15.426 -0.955 1.00 0.00 H new ATOM 800 N ARG A 55 -4.583 16.214 0.854 1.00 0.00 N ATOM 801 CA ARG A 55 -5.844 15.711 1.387 1.00 0.00 C ATOM 802 C ARG A 55 -6.961 15.842 0.356 1.00 0.00 C ATOM 803 O ARG A 55 -7.068 16.858 -0.332 1.00 0.00 O ATOM 804 CB ARG A 55 -6.218 16.467 2.665 1.00 0.00 C ATOM 805 CG ARG A 55 -6.669 15.559 3.797 1.00 0.00 C ATOM 806 CD ARG A 55 -6.389 16.182 5.156 1.00 0.00 C ATOM 807 NE ARG A 55 -7.389 15.799 6.151 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.245 15.994 7.459 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.146 16.568 7.934 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.202 15.616 8.294 1.00 0.00 N ATOM 0 H ARG A 55 -4.261 17.082 1.282 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.716 14.655 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.359 17.050 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.015 17.175 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.736 15.358 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.156 14.600 3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.401 15.875 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.370 17.268 5.060 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.247 15.356 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.407 16.862 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.041 16.715 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.049 15.176 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.092 15.765 9.297 1.00 0.00 H new ATOM 824 N GLY A 56 -7.789 14.809 0.253 1.00 0.00 N ATOM 825 CA GLY A 56 -8.887 14.828 -0.696 1.00 0.00 C ATOM 826 C GLY A 56 -8.531 14.157 -2.007 1.00 0.00 C ATOM 827 O GLY A 56 -8.995 14.570 -3.070 1.00 0.00 O ATOM 0 H GLY A 56 -7.720 13.958 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.751 14.328 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.180 15.860 -0.887 1.00 0.00 H new ATOM 831 N GLN A 57 -7.706 13.118 -1.932 1.00 0.00 N ATOM 832 CA GLN A 57 -7.288 12.386 -3.122 1.00 0.00 C ATOM 833 C GLN A 57 -7.224 10.887 -2.845 1.00 0.00 C ATOM 834 O GLN A 57 -6.276 10.210 -3.244 1.00 0.00 O ATOM 835 CB GLN A 57 -5.923 12.889 -3.601 1.00 0.00 C ATOM 836 CG GLN A 57 -5.945 14.323 -4.102 1.00 0.00 C ATOM 837 CD GLN A 57 -6.194 14.417 -5.594 1.00 0.00 C ATOM 838 OE1 GLN A 57 -5.425 13.889 -6.397 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.274 15.090 -5.973 1.00 0.00 N ATOM 0 H GLN A 57 -7.314 12.764 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.027 12.560 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.208 12.810 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.566 12.239 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.720 14.877 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.994 14.801 -3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.884 15.512 -5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.494 15.185 -6.964 1.00 0.00 H new ATOM 848 N GLY A 58 -8.239 10.374 -2.158 1.00 0.00 N ATOM 849 CA GLY A 58 -8.280 8.959 -1.839 1.00 0.00 C ATOM 850 C GLY A 58 -9.326 8.212 -2.644 1.00 0.00 C ATOM 851 O GLY A 58 -10.406 8.739 -2.911 1.00 0.00 O ATOM 0 H GLY A 58 -9.034 10.913 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.300 8.519 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.488 8.835 -0.776 1.00 0.00 H new ATOM 855 N PHE A 59 -9.006 6.981 -3.030 1.00 0.00 N ATOM 856 CA PHE A 59 -9.925 6.161 -3.808 1.00 0.00 C ATOM 857 C PHE A 59 -10.462 5.002 -2.973 1.00 0.00 C ATOM 858 O PHE A 59 -11.597 4.563 -3.158 1.00 0.00 O ATOM 859 CB PHE A 59 -9.228 5.623 -5.059 1.00 0.00 C ATOM 860 CG PHE A 59 -7.911 4.960 -4.775 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.752 5.713 -4.665 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.831 3.586 -4.620 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.538 5.106 -4.404 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.620 2.974 -4.358 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.472 3.735 -4.250 1.00 0.00 C ATOM 0 H PHE A 59 -8.116 6.530 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.765 6.788 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.886 4.908 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.069 6.444 -5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.798 6.785 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.725 2.986 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.642 5.703 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.571 1.902 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.525 3.259 -4.045 1.00 0.00 H new ATOM 875 N THR A 60 -9.637 4.510 -2.053 1.00 0.00 N ATOM 876 CA THR A 60 -10.029 3.403 -1.189 1.00 0.00 C ATOM 877 C THR A 60 -10.780 3.910 0.038 1.00 0.00 C ATOM 878 O THR A 60 -11.784 3.328 0.448 1.00 0.00 O ATOM 879 CB THR A 60 -8.798 2.603 -0.757 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.160 1.579 0.153 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.733 3.451 -0.093 1.00 0.00 C ATOM 0 H THR A 60 -8.694 4.861 -1.887 1.00 0.00 H new ATOM 0 HA THR A 60 -10.694 2.751 -1.755 1.00 0.00 H new ATOM 0 HB THR A 60 -8.387 2.188 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.935 1.091 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.889 2.821 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.396 4.221 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.147 3.922 0.799 1.00 0.00 H new ATOM 889 N ASP A 61 -10.287 4.999 0.620 1.00 0.00 N ATOM 890 CA ASP A 61 -10.913 5.587 1.800 1.00 0.00 C ATOM 891 C ASP A 61 -11.007 4.570 2.933 1.00 0.00 C ATOM 892 O ASP A 61 -11.932 4.616 3.745 1.00 0.00 O ATOM 893 CB ASP A 61 -12.307 6.113 1.453 1.00 0.00 C ATOM 894 CG ASP A 61 -12.840 7.072 2.501 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.305 7.079 3.629 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.795 7.817 2.191 1.00 0.00 O ATOM 0 H ASP A 61 -9.456 5.492 0.294 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.291 6.417 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.272 6.617 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.994 5.273 1.350 1.00 0.00 H new ATOM 901 N GLY A 62 -10.045 3.654 2.984 1.00 0.00 N ATOM 902 CA GLY A 62 -10.042 2.641 4.024 1.00 0.00 C ATOM 903 C GLY A 62 -10.736 1.361 3.596 1.00 0.00 C ATOM 904 O GLY A 62 -10.562 0.317 4.223 1.00 0.00 O ATOM 0 H GLY A 62 -9.269 3.595 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.013 2.416 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.534 3.037 4.913 1.00 0.00 H new ATOM 908 N VAL A 63 -11.527 1.441 2.529 1.00 0.00 N ATOM 909 CA VAL A 63 -12.248 0.280 2.026 1.00 0.00 C ATOM 910 C VAL A 63 -11.901 0.007 0.565 1.00 0.00 C ATOM 911 O VAL A 63 -11.732 0.933 -0.227 1.00 0.00 O ATOM 912 CB VAL A 63 -13.773 0.466 2.158 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.241 1.663 1.345 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.508 -0.798 1.734 1.00 0.00 C ATOM 0 H VAL A 63 -11.683 2.298 1.998 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.941 -0.572 2.633 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.004 0.657 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.320 1.776 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.744 2.564 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.995 1.508 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.583 -0.645 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.270 -1.026 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.199 -1.629 2.368 1.00 0.00 H new ATOM 924 N TYR A 64 -11.799 -1.272 0.215 1.00 0.00 N ATOM 925 CA TYR A 64 -11.473 -1.667 -1.150 1.00 0.00 C ATOM 926 C TYR A 64 -12.471 -2.696 -1.671 1.00 0.00 C ATOM 927 O TYR A 64 -12.492 -3.841 -1.220 1.00 0.00 O ATOM 928 CB TYR A 64 -10.055 -2.237 -1.214 1.00 0.00 C ATOM 929 CG TYR A 64 -9.434 -2.162 -2.591 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.738 -1.030 -2.998 1.00 0.00 C ATOM 931 CD2 TYR A 64 -9.542 -3.221 -3.482 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.168 -0.958 -4.256 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.976 -3.157 -4.741 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.290 -2.023 -5.123 1.00 0.00 C ATOM 935 OH TYR A 64 -7.725 -1.954 -6.376 1.00 0.00 O ATOM 0 H TYR A 64 -11.937 -2.052 0.858 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.529 -0.780 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.423 -1.696 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.076 -3.278 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.641 -0.194 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.078 -4.111 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.630 -0.072 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.070 -3.990 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.902 -2.787 -6.861 1.00 0.00 H new ATOM 945 N GLN A 65 -13.299 -2.278 -2.625 1.00 0.00 N ATOM 946 CA GLN A 65 -14.302 -3.162 -3.209 1.00 0.00 C ATOM 947 C GLN A 65 -15.297 -3.638 -2.155 1.00 0.00 C ATOM 948 O GLN A 65 -15.919 -4.690 -2.307 1.00 0.00 O ATOM 949 CB GLN A 65 -13.627 -4.365 -3.870 1.00 0.00 C ATOM 950 CG GLN A 65 -13.230 -4.122 -5.317 1.00 0.00 C ATOM 951 CD GLN A 65 -12.971 -5.409 -6.074 1.00 0.00 C ATOM 952 OE1 GLN A 65 -13.825 -5.886 -6.823 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.787 -5.980 -5.884 1.00 0.00 N ATOM 0 H GLN A 65 -13.295 -1.333 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.848 -2.597 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.738 -4.632 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.302 -5.219 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.020 -3.563 -5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.334 -3.502 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.109 -5.551 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.556 -6.848 -6.368 1.00 0.00 H new ATOM 962 N GLY A 66 -15.446 -2.859 -1.087 1.00 0.00 N ATOM 963 CA GLY A 66 -16.369 -3.223 -0.029 1.00 0.00 C ATOM 964 C GLY A 66 -15.660 -3.693 1.225 1.00 0.00 C ATOM 965 O GLY A 66 -16.184 -3.557 2.331 1.00 0.00 O ATOM 0 H GLY A 66 -14.944 -1.984 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.996 -2.365 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.031 -4.012 -0.385 1.00 0.00 H new ATOM 969 N LYS A 67 -14.464 -4.248 1.054 1.00 0.00 N ATOM 970 CA LYS A 67 -13.683 -4.739 2.182 1.00 0.00 C ATOM 971 C LYS A 67 -12.956 -3.596 2.880 1.00 0.00 C ATOM 972 O LYS A 67 -12.134 -2.907 2.277 1.00 0.00 O ATOM 973 CB LYS A 67 -12.676 -5.791 1.712 1.00 0.00 C ATOM 974 CG LYS A 67 -12.758 -7.099 2.484 1.00 0.00 C ATOM 975 CD LYS A 67 -12.112 -6.978 3.856 1.00 0.00 C ATOM 976 CE LYS A 67 -10.730 -7.612 3.879 1.00 0.00 C ATOM 977 NZ LYS A 67 -10.012 -7.335 5.153 1.00 0.00 N ATOM 0 H LYS A 67 -14.016 -4.368 0.146 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.369 -5.196 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.841 -5.992 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.669 -5.385 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.802 -7.391 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.265 -7.889 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.036 -5.926 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.746 -7.458 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.823 -8.689 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.143 -7.233 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.075 -7.785 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.900 -6.308 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.559 -7.719 5.950 1.00 0.00 H new ATOM 991 N GLN A 68 -13.266 -3.404 4.156 1.00 0.00 N ATOM 992 CA GLN A 68 -12.645 -2.347 4.944 1.00 0.00 C ATOM 993 C GLN A 68 -11.289 -2.793 5.482 1.00 0.00 C ATOM 994 O GLN A 68 -11.206 -3.443 6.524 1.00 0.00 O ATOM 995 CB GLN A 68 -13.557 -1.943 6.104 1.00 0.00 C ATOM 996 CG GLN A 68 -13.111 -0.675 6.814 1.00 0.00 C ATOM 997 CD GLN A 68 -13.914 0.541 6.394 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.145 0.524 6.413 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.219 1.606 6.010 1.00 0.00 N ATOM 0 H GLN A 68 -13.945 -3.967 4.668 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.493 -1.486 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.570 -1.801 5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.597 -2.759 6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.205 -0.814 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.056 -0.499 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.199 1.577 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.705 2.453 5.716 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.229 -2.441 4.763 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.876 -2.806 5.168 1.00 0.00 C ATOM 1010 C LEU A 69 -8.444 -2.018 6.399 1.00 0.00 C ATOM 1011 O LEU A 69 -7.982 -2.592 7.385 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.894 -2.560 4.020 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.024 -3.523 2.839 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.227 -3.016 1.648 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.564 -4.918 3.236 1.00 0.00 C ATOM 0 H LEU A 69 -10.280 -1.904 3.897 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.873 -3.867 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.032 -1.542 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.878 -2.624 4.411 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.074 -3.576 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.331 -3.714 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.602 -2.037 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.175 -2.933 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.663 -5.590 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.521 -4.882 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.178 -5.283 4.059 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.596 -0.699 6.335 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.220 0.168 7.446 1.00 0.00 C ATOM 1029 C PHE A 70 -9.174 1.353 7.559 1.00 0.00 C ATOM 1030 O PHE A 70 -9.949 1.629 6.643 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.785 0.668 7.267 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.600 1.555 6.068 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.834 1.073 4.790 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.189 2.870 6.220 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.663 1.888 3.685 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.018 3.688 5.120 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.255 3.196 3.851 1.00 0.00 C ATOM 0 H PHE A 70 -8.977 -0.208 5.526 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.282 -0.414 8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.486 1.214 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.119 -0.190 7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.153 0.050 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.000 3.259 7.210 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.849 1.501 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.699 4.711 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.121 3.834 2.990 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.112 2.049 8.689 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.969 3.205 8.924 1.00 0.00 C ATOM 1049 C GLN A 71 -9.203 4.505 8.697 1.00 0.00 C ATOM 1050 O GLN A 71 -8.161 4.738 9.310 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.530 3.170 10.347 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.911 2.542 10.442 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.961 3.514 10.944 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -13.507 3.347 12.035 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.250 4.536 10.148 1.00 0.00 N ATOM 0 H GLN A 71 -8.477 1.832 9.457 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.796 3.164 8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.843 2.615 10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.575 4.187 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.205 2.170 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.869 1.681 11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.773 4.635 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.949 5.222 10.432 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.728 5.350 7.815 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.093 6.626 7.508 1.00 0.00 C ATOM 1066 C CYS A 72 -10.134 7.672 7.123 1.00 0.00 C ATOM 1067 O CYS A 72 -11.326 7.378 7.048 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.080 6.456 6.375 1.00 0.00 C ATOM 1069 SG CYS A 72 -8.741 5.621 4.913 1.00 0.00 S ATOM 0 H CYS A 72 -10.591 5.174 7.301 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.572 6.969 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.710 7.439 6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.226 5.891 6.748 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.914 4.693 4.532 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.674 8.895 6.879 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.564 9.986 6.503 1.00 0.00 C ATOM 1077 C ASP A 73 -11.084 9.798 5.081 1.00 0.00 C ATOM 1078 O ASP A 73 -10.689 8.864 4.383 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.839 11.328 6.619 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.496 11.675 8.055 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.420 12.023 8.819 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -8.302 11.599 8.415 1.00 0.00 O ATOM 0 H ASP A 73 -8.689 9.155 6.935 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.413 9.980 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.924 11.297 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.465 12.114 6.197 1.00 0.00 H new ATOM 1087 N GLU A 74 -11.973 10.691 4.658 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.549 10.624 3.320 1.00 0.00 C ATOM 1089 C GLU A 74 -11.577 11.175 2.281 1.00 0.00 C ATOM 1090 O GLU A 74 -11.069 12.288 2.420 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.864 11.403 3.268 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.888 10.805 2.316 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.112 11.684 2.150 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -15.985 12.916 2.319 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.196 11.143 1.850 1.00 0.00 O ATOM 0 H GLU A 74 -12.310 11.470 5.223 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.746 9.577 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.292 11.444 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.657 12.430 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.424 10.646 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.195 9.827 2.686 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.324 10.389 1.239 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.413 10.798 0.176 1.00 0.00 C ATOM 1104 C ASP A 75 -9.012 11.048 0.726 1.00 0.00 C ATOM 1105 O ASP A 75 -8.344 12.008 0.340 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.937 12.060 -0.513 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.160 11.787 -1.366 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.275 10.663 -1.897 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.003 12.699 -1.504 1.00 0.00 O ATOM 0 H ASP A 75 -11.737 9.466 1.108 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.357 9.990 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.183 12.807 0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.150 12.484 -1.136 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.573 10.179 1.630 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.251 10.305 2.234 1.00 0.00 C ATOM 1116 C CYS A 76 -6.468 9.002 2.107 1.00 0.00 C ATOM 1117 O CYS A 76 -5.297 9.004 1.726 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.376 10.697 3.707 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.696 12.456 3.976 1.00 0.00 S ATOM 0 H CYS A 76 -9.113 9.380 1.961 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.709 11.087 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.182 10.118 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.457 10.422 4.225 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.375 12.774 5.195 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.121 7.890 2.429 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.470 6.596 2.344 1.00 0.00 C ATOM 1127 C GLY A 77 -6.177 6.186 0.915 1.00 0.00 C ATOM 1128 O GLY A 77 -7.044 6.274 0.046 1.00 0.00 O ATOM 0 H GLY A 77 -8.090 7.862 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.538 6.624 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.104 5.843 2.812 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.950 5.736 0.670 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.545 5.311 -0.664 1.00 0.00 C ATOM 1134 C VAL A 78 -3.510 4.193 -0.595 1.00 0.00 C ATOM 1135 O VAL A 78 -2.570 4.252 0.198 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.961 6.483 -1.475 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.060 7.456 -1.876 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.876 7.193 -0.680 1.00 0.00 C ATOM 0 H VAL A 78 -4.220 5.657 1.378 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.442 4.944 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.512 6.083 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.628 8.277 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.800 6.938 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.541 7.851 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.475 8.018 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.299 7.580 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.076 6.490 -0.448 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.690 3.175 -1.430 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.771 2.043 -1.465 1.00 0.00 C ATOM 1150 C PHE A 79 -1.825 2.147 -2.657 1.00 0.00 C ATOM 1151 O PHE A 79 -2.259 2.358 -3.789 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.551 0.729 -1.531 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.950 0.200 -0.182 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.994 -0.279 0.699 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.280 0.182 0.203 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.357 -0.766 1.940 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.651 -0.304 1.443 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.688 -0.778 2.312 1.00 0.00 C ATOM 0 H PHE A 79 -4.464 3.111 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.177 2.060 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.447 0.877 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.944 -0.019 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.953 -0.272 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.036 0.552 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.602 -1.136 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.692 -0.313 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.975 -1.158 3.282 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.532 1.997 -2.393 1.00 0.00 N ATOM 1169 CA VAL A 80 0.476 2.073 -3.444 1.00 0.00 C ATOM 1170 C VAL A 80 1.683 1.201 -3.113 1.00 0.00 C ATOM 1171 O VAL A 80 1.837 0.742 -1.981 1.00 0.00 O ATOM 1172 CB VAL A 80 0.951 3.522 -3.664 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.094 4.316 -4.433 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.265 4.190 -2.334 1.00 0.00 C ATOM 0 H VAL A 80 -0.157 1.822 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 80 0.007 1.709 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 80 1.865 3.498 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.259 5.337 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.265 3.849 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.027 4.332 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.599 5.213 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.369 4.203 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.052 3.634 -1.825 1.00 0.00 H new ATOM 1184 N ALA A 81 2.534 0.976 -4.107 1.00 0.00 N ATOM 1185 CA ALA A 81 3.726 0.158 -3.921 1.00 0.00 C ATOM 1186 C ALA A 81 4.872 0.980 -3.341 1.00 0.00 C ATOM 1187 O ALA A 81 4.885 2.207 -3.446 1.00 0.00 O ATOM 1188 CB ALA A 81 4.144 -0.474 -5.241 1.00 0.00 C ATOM 0 H ALA A 81 2.421 1.348 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 81 3.485 -0.633 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.035 -1.082 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.336 -1.103 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.360 0.310 -5.967 1.00 0.00 H new ATOM 1194 N LEU A 82 5.835 0.296 -2.729 1.00 0.00 N ATOM 1195 CA LEU A 82 6.989 0.960 -2.131 1.00 0.00 C ATOM 1196 C LEU A 82 7.635 1.923 -3.120 1.00 0.00 C ATOM 1197 O LEU A 82 7.982 3.051 -2.770 1.00 0.00 O ATOM 1198 CB LEU A 82 8.014 -0.076 -1.664 1.00 0.00 C ATOM 1199 CG LEU A 82 8.868 0.352 -0.468 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.012 0.465 0.784 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.008 -0.631 -0.251 1.00 0.00 C ATOM 0 H LEU A 82 5.839 -0.720 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 82 6.643 1.532 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.488 -0.995 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.675 -0.312 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 82 9.295 1.332 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.635 0.770 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.230 1.207 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.557 -0.501 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.606 -0.312 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.601 -1.624 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.636 -0.663 -1.142 1.00 0.00 H new ATOM 1213 N ASP A 83 7.788 1.472 -4.361 1.00 0.00 N ATOM 1214 CA ASP A 83 8.386 2.295 -5.406 1.00 0.00 C ATOM 1215 C ASP A 83 7.603 3.591 -5.582 1.00 0.00 C ATOM 1216 O ASP A 83 8.160 4.617 -5.972 1.00 0.00 O ATOM 1217 CB ASP A 83 8.431 1.527 -6.728 1.00 0.00 C ATOM 1218 CG ASP A 83 7.073 0.983 -7.126 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.158 1.795 -7.379 1.00 0.00 O ATOM 1220 OD2 ASP A 83 6.925 -0.256 -7.186 1.00 0.00 O ATOM 0 H ASP A 83 7.506 0.541 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 83 9.405 2.541 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.801 2.184 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.139 0.703 -6.642 1.00 0.00 H new ATOM 1225 N LYS A 84 6.307 3.538 -5.287 1.00 0.00 N ATOM 1226 CA LYS A 84 5.447 4.708 -5.409 1.00 0.00 C ATOM 1227 C LYS A 84 5.560 5.597 -4.173 1.00 0.00 C ATOM 1228 O LYS A 84 5.306 6.800 -4.238 1.00 0.00 O ATOM 1229 CB LYS A 84 3.992 4.279 -5.610 1.00 0.00 C ATOM 1230 CG LYS A 84 3.708 3.730 -6.999 1.00 0.00 C ATOM 1231 CD LYS A 84 2.348 4.180 -7.510 1.00 0.00 C ATOM 1232 CE LYS A 84 1.626 3.057 -8.238 1.00 0.00 C ATOM 1233 NZ LYS A 84 0.894 3.552 -9.436 1.00 0.00 N ATOM 0 H LYS A 84 5.831 2.697 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 84 5.774 5.279 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.740 3.520 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.341 5.133 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.485 4.062 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.747 2.641 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.739 4.523 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.473 5.029 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.347 2.298 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.924 2.575 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.415 2.756 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.188 4.257 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.567 3.989 -10.098 1.00 0.00 H new ATOM 1247 N LEU A 85 5.943 4.998 -3.048 1.00 0.00 N ATOM 1248 CA LEU A 85 6.088 5.739 -1.800 1.00 0.00 C ATOM 1249 C LEU A 85 7.495 6.311 -1.664 1.00 0.00 C ATOM 1250 O LEU A 85 8.484 5.593 -1.803 1.00 0.00 O ATOM 1251 CB LEU A 85 5.777 4.833 -0.607 1.00 0.00 C ATOM 1252 CG LEU A 85 4.314 4.404 -0.484 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.101 3.595 0.787 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.399 5.618 -0.505 1.00 0.00 C ATOM 0 H LEU A 85 6.158 4.004 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 85 5.380 6.567 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.397 3.939 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.066 5.350 0.308 1.00 0.00 H new ATOM 0 HG LEU A 85 4.067 3.773 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.055 3.298 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.730 2.705 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.366 4.202 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.362 5.294 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.646 6.275 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.532 6.157 -1.443 1.00 0.00 H new ATOM 1266 N GLU A 86 7.575 7.609 -1.389 1.00 0.00 N ATOM 1267 CA GLU A 86 8.861 8.280 -1.231 1.00 0.00 C ATOM 1268 C GLU A 86 9.039 8.780 0.198 1.00 0.00 C ATOM 1269 O GLU A 86 8.394 9.743 0.614 1.00 0.00 O ATOM 1270 CB GLU A 86 8.975 9.447 -2.213 1.00 0.00 C ATOM 1271 CG GLU A 86 10.390 9.986 -2.354 1.00 0.00 C ATOM 1272 CD GLU A 86 10.643 11.197 -1.479 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.671 11.913 -1.160 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.814 11.429 -1.110 1.00 0.00 O ATOM 0 H GLU A 86 6.765 8.217 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 86 9.650 7.559 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.619 9.124 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.319 10.253 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.101 9.201 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.572 10.251 -3.396 1.00 0.00 H new ATOM 1281 N LEU A 87 9.918 8.120 0.946 1.00 0.00 N ATOM 1282 CA LEU A 87 10.181 8.498 2.331 1.00 0.00 C ATOM 1283 C LEU A 87 10.646 9.948 2.423 1.00 0.00 C ATOM 1284 O LEU A 87 11.443 10.408 1.605 1.00 0.00 O ATOM 1285 CB LEU A 87 11.235 7.573 2.942 1.00 0.00 C ATOM 1286 CG LEU A 87 11.225 7.499 4.469 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.895 6.957 4.969 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.376 6.637 4.968 1.00 0.00 C ATOM 0 H LEU A 87 10.460 7.321 0.617 1.00 0.00 H new ATOM 0 HA LEU A 87 9.251 8.399 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.089 6.569 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.221 7.905 2.616 1.00 0.00 H new ATOM 0 HG LEU A 87 11.354 8.507 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.907 6.912 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.089 7.613 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.735 5.957 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.354 6.595 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.278 5.629 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.322 7.068 4.641 1.00 0.00 H new ATOM 1300 N ILE A 88 10.143 10.662 3.424 1.00 0.00 N ATOM 1301 CA ILE A 88 10.506 12.060 3.624 1.00 0.00 C ATOM 1302 C ILE A 88 11.661 12.192 4.610 1.00 0.00 C ATOM 1303 O ILE A 88 11.658 11.570 5.672 1.00 0.00 O ATOM 1304 CB ILE A 88 9.310 12.885 4.139 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.066 12.604 3.295 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.644 14.368 4.122 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.831 13.331 3.779 1.00 0.00 C ATOM 0 H ILE A 88 9.483 10.296 4.110 1.00 0.00 H new ATOM 0 HA ILE A 88 10.813 12.448 2.653 1.00 0.00 H new ATOM 0 HB ILE A 88 9.101 12.591 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.265 12.890 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.870 11.532 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.790 14.938 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.506 14.554 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.876 14.677 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.988 13.085 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.607 13.026 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.007 14.406 3.751 1.00 0.00 H new