USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot -17:sc= 0.756 USER MOD Set 1.2: A 61 THR OG1 : rot -159:sc= 1.67! USER MOD Set 2.1: A 9 GLN : amide:sc= -6.9! C(o=-14!,f=-26!) USER MOD Set 2.2: A 41 GLN : amide:sc= -7.47! C(o=-14!,f=-16!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0327 K(o=-0.033,f=-2!) USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 37 CYS SG : rot 11:sc= -0.444 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0911 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0.0536 (180deg=0.0315) USER MOD Single : A 47 GLN : amide:sc= -0.146 K(o=-0.15,f=-1!) USER MOD Single : A 48 THR OG1 : rot 85:sc= -0.985 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= -0.661 (180deg=-1.73!) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -2.35! F(o=-3.5,f=-2.3!) USER MOD Single : A 70 HIS : no HE2:sc= -0.35 K(o=-0.35,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.196 -19.708 0.035 1.00 0.00 N ATOM 67 CA ASP A 8 1.201 -19.097 1.354 1.00 0.00 C ATOM 68 C ASP A 8 1.233 -17.575 1.206 1.00 0.00 C ATOM 69 O ASP A 8 0.521 -16.864 1.914 1.00 0.00 O ATOM 70 CB ASP A 8 2.435 -19.521 2.153 1.00 0.00 C ATOM 71 CG ASP A 8 2.344 -20.906 2.796 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.288 -21.549 2.613 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.333 -21.290 3.458 1.00 0.00 O ATOM 0 HA ASP A 8 0.303 -19.421 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.302 -19.500 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.613 -18.784 2.936 1.00 0.00 H new ATOM 78 N GLN A 9 2.065 -17.119 0.281 1.00 0.00 N ATOM 79 CA GLN A 9 2.199 -15.694 0.032 1.00 0.00 C ATOM 80 C GLN A 9 1.009 -15.183 -0.782 1.00 0.00 C ATOM 81 O GLN A 9 0.623 -14.022 -0.661 1.00 0.00 O ATOM 82 CB GLN A 9 3.520 -15.383 -0.675 1.00 0.00 C ATOM 83 CG GLN A 9 4.691 -16.085 0.017 1.00 0.00 C ATOM 84 CD GLN A 9 5.027 -15.408 1.347 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.253 -14.640 1.895 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.221 -15.734 1.834 1.00 0.00 N ATOM 0 H GLN A 9 2.653 -17.712 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 9 2.207 -15.177 0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.464 -15.702 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.689 -14.306 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.441 -17.132 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.565 -16.070 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.820 -16.384 1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.538 -15.334 2.717 1.00 0.00 H new ATOM 95 N LYS A 10 0.460 -16.076 -1.592 1.00 0.00 N ATOM 96 CA LYS A 10 -0.679 -15.730 -2.425 1.00 0.00 C ATOM 97 C LYS A 10 -1.845 -15.297 -1.534 1.00 0.00 C ATOM 98 O LYS A 10 -2.487 -14.281 -1.796 1.00 0.00 O ATOM 99 CB LYS A 10 -1.023 -16.885 -3.369 1.00 0.00 C ATOM 100 CG LYS A 10 -1.205 -16.385 -4.803 1.00 0.00 C ATOM 101 CD LYS A 10 -0.067 -16.873 -5.702 1.00 0.00 C ATOM 102 CE LYS A 10 0.720 -15.694 -6.278 1.00 0.00 C ATOM 103 NZ LYS A 10 1.211 -16.013 -7.638 1.00 0.00 N ATOM 0 H LYS A 10 0.783 -17.039 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.437 -14.884 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.230 -17.633 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.937 -17.375 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.159 -16.735 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.238 -15.296 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.602 -17.517 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.473 -17.475 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.086 -14.808 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.562 -15.458 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.743 -15.202 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.833 -16.846 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.403 -16.215 -8.260 1.00 0.00 H new ATOM 117 N LYS A 11 -2.082 -16.088 -0.498 1.00 0.00 N ATOM 118 CA LYS A 11 -3.159 -15.799 0.433 1.00 0.00 C ATOM 119 C LYS A 11 -2.870 -14.475 1.145 1.00 0.00 C ATOM 120 O LYS A 11 -3.742 -13.612 1.235 1.00 0.00 O ATOM 121 CB LYS A 11 -3.373 -16.976 1.387 1.00 0.00 C ATOM 122 CG LYS A 11 -4.037 -18.151 0.667 1.00 0.00 C ATOM 123 CD LYS A 11 -3.257 -19.447 0.898 1.00 0.00 C ATOM 124 CE LYS A 11 -3.846 -20.596 0.078 1.00 0.00 C ATOM 125 NZ LYS A 11 -4.480 -21.596 0.966 1.00 0.00 N ATOM 0 H LYS A 11 -1.546 -16.929 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.101 -15.676 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.415 -17.292 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.994 -16.661 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.060 -18.270 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.094 -17.942 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.212 -19.300 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.277 -19.704 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.582 -20.208 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.061 -21.070 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.875 -22.369 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.769 -21.979 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.243 -21.144 1.509 1.00 0.00 H new ATOM 139 N PHE A 12 -1.644 -14.358 1.632 1.00 0.00 N ATOM 140 CA PHE A 12 -1.229 -13.154 2.332 1.00 0.00 C ATOM 141 C PHE A 12 -1.401 -11.918 1.448 1.00 0.00 C ATOM 142 O PHE A 12 -2.167 -11.014 1.779 1.00 0.00 O ATOM 143 CB PHE A 12 0.254 -13.322 2.671 1.00 0.00 C ATOM 144 CG PHE A 12 0.901 -12.071 3.268 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.342 -11.078 2.450 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.036 -11.952 4.616 1.00 0.00 C ATOM 147 CE1 PHE A 12 1.943 -9.916 3.004 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.637 -10.791 5.169 1.00 0.00 C ATOM 149 CZ PHE A 12 2.078 -9.797 4.352 1.00 0.00 C ATOM 0 H PHE A 12 -0.924 -15.077 1.556 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.838 -13.015 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.364 -14.147 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.794 -13.601 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.235 -11.173 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.686 -12.741 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.293 -9.127 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.744 -10.697 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.535 -8.914 4.773 1.00 0.00 H new ATOM 159 N ILE A 13 -0.675 -11.917 0.339 1.00 0.00 N ATOM 160 CA ILE A 13 -0.738 -10.807 -0.596 1.00 0.00 C ATOM 161 C ILE A 13 -2.203 -10.465 -0.878 1.00 0.00 C ATOM 162 O ILE A 13 -2.575 -9.294 -0.914 1.00 0.00 O ATOM 163 CB ILE A 13 0.074 -11.119 -1.854 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.476 -9.834 -2.581 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.683 -12.083 -2.770 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.680 -9.175 -1.905 1.00 0.00 C ATOM 0 H ILE A 13 -0.040 -12.668 0.067 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.281 -9.918 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 13 0.994 -11.618 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.716 -10.060 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.364 -9.140 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.084 -12.288 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.875 -13.015 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.630 -11.633 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.945 -8.264 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.428 -8.928 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.526 -9.862 -1.918 1.00 0.00 H new ATOM 178 N ASP A 14 -2.994 -11.511 -1.072 1.00 0.00 N ATOM 179 CA ASP A 14 -4.409 -11.336 -1.350 1.00 0.00 C ATOM 180 C ASP A 14 -5.069 -10.609 -0.177 1.00 0.00 C ATOM 181 O ASP A 14 -5.732 -9.590 -0.368 1.00 0.00 O ATOM 182 CB ASP A 14 -5.107 -12.687 -1.522 1.00 0.00 C ATOM 183 CG ASP A 14 -5.522 -13.023 -2.956 1.00 0.00 C ATOM 184 OD1 ASP A 14 -4.747 -12.666 -3.869 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.605 -13.629 -3.106 1.00 0.00 O ATOM 0 H ASP A 14 -2.682 -12.482 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.503 -10.761 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.442 -13.471 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.995 -12.703 -0.890 1.00 0.00 H new ATOM 190 N GLN A 15 -4.865 -11.160 1.010 1.00 0.00 N ATOM 191 CA GLN A 15 -5.432 -10.576 2.214 1.00 0.00 C ATOM 192 C GLN A 15 -5.106 -9.083 2.284 1.00 0.00 C ATOM 193 O GLN A 15 -5.810 -8.320 2.944 1.00 0.00 O ATOM 194 CB GLN A 15 -4.934 -11.305 3.464 1.00 0.00 C ATOM 195 CG GLN A 15 -5.430 -12.752 3.489 1.00 0.00 C ATOM 196 CD GLN A 15 -5.999 -13.112 4.863 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.160 -12.888 5.161 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.118 -13.682 5.680 1.00 0.00 N ATOM 0 H GLN A 15 -4.315 -12.005 1.164 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.515 -10.690 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.844 -11.290 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.280 -10.783 4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.196 -12.891 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.609 -13.426 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.160 -13.841 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.400 -13.960 6.620 1.00 0.00 H new ATOM 207 N VAL A 16 -4.039 -8.709 1.593 1.00 0.00 N ATOM 208 CA VAL A 16 -3.612 -7.321 1.568 1.00 0.00 C ATOM 209 C VAL A 16 -4.396 -6.569 0.490 1.00 0.00 C ATOM 210 O VAL A 16 -4.853 -5.450 0.717 1.00 0.00 O ATOM 211 CB VAL A 16 -2.097 -7.243 1.369 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.629 -5.788 1.286 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.358 -7.994 2.478 1.00 0.00 C ATOM 0 H VAL A 16 -3.457 -9.344 1.046 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.827 -6.839 2.522 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.859 -7.726 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.549 -5.761 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.118 -5.296 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.887 -5.270 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.283 -7.922 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.606 -7.553 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.657 -9.042 2.470 1.00 0.00 H new ATOM 223 N ILE A 17 -4.528 -7.215 -0.659 1.00 0.00 N ATOM 224 CA ILE A 17 -5.249 -6.622 -1.772 1.00 0.00 C ATOM 225 C ILE A 17 -6.582 -6.063 -1.271 1.00 0.00 C ATOM 226 O ILE A 17 -6.851 -4.871 -1.413 1.00 0.00 O ATOM 227 CB ILE A 17 -5.396 -7.631 -2.913 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.027 -8.111 -3.400 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.238 -7.052 -4.052 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.014 -6.965 -3.405 1.00 0.00 C ATOM 0 H ILE A 17 -4.148 -8.143 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.687 -5.785 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.927 -8.503 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.669 -8.914 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.119 -8.524 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.327 -7.789 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.231 -6.800 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.757 -6.154 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.050 -7.333 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.363 -6.174 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.906 -6.570 -2.395 1.00 0.00 H new ATOM 242 N GLU A 18 -7.380 -6.949 -0.694 1.00 0.00 N ATOM 243 CA GLU A 18 -8.678 -6.558 -0.171 1.00 0.00 C ATOM 244 C GLU A 18 -8.569 -5.230 0.581 1.00 0.00 C ATOM 245 O GLU A 18 -9.313 -4.291 0.300 1.00 0.00 O ATOM 246 CB GLU A 18 -9.258 -7.651 0.729 1.00 0.00 C ATOM 247 CG GLU A 18 -8.239 -8.094 1.781 1.00 0.00 C ATOM 248 CD GLU A 18 -8.658 -9.415 2.428 1.00 0.00 C ATOM 249 OE1 GLU A 18 -9.256 -10.239 1.701 1.00 0.00 O ATOM 250 OE2 GLU A 18 -8.371 -9.573 3.634 1.00 0.00 O ATOM 0 H GLU A 18 -7.153 -7.936 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.361 -6.423 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.157 -7.282 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.555 -8.507 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.259 -8.207 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.143 -7.324 2.547 1.00 0.00 H new ATOM 257 N LYS A 19 -7.637 -5.193 1.521 1.00 0.00 N ATOM 258 CA LYS A 19 -7.421 -3.996 2.316 1.00 0.00 C ATOM 259 C LYS A 19 -7.225 -2.799 1.383 1.00 0.00 C ATOM 260 O LYS A 19 -7.757 -1.719 1.633 1.00 0.00 O ATOM 261 CB LYS A 19 -6.267 -4.205 3.298 1.00 0.00 C ATOM 262 CG LYS A 19 -6.615 -5.277 4.333 1.00 0.00 C ATOM 263 CD LYS A 19 -5.349 -5.891 4.934 1.00 0.00 C ATOM 264 CE LYS A 19 -5.538 -6.190 6.422 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.959 -7.509 6.763 1.00 0.00 N ATOM 0 H LYS A 19 -7.022 -5.974 1.750 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.296 -3.784 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.370 -4.498 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.040 -3.266 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.222 -4.839 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.215 -6.058 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.099 -6.810 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.510 -5.208 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.062 -5.412 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.599 -6.177 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.096 -7.697 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.432 -8.250 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.942 -7.509 6.545 1.00 0.00 H new ATOM 279 N ILE A 20 -6.461 -3.032 0.326 1.00 0.00 N ATOM 280 CA ILE A 20 -6.188 -1.986 -0.645 1.00 0.00 C ATOM 281 C ILE A 20 -7.486 -1.614 -1.365 1.00 0.00 C ATOM 282 O ILE A 20 -7.951 -0.479 -1.266 1.00 0.00 O ATOM 283 CB ILE A 20 -5.062 -2.412 -1.589 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.741 -2.568 -0.832 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.937 -1.443 -2.767 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.874 -3.660 -1.461 1.00 0.00 C ATOM 0 H ILE A 20 -6.022 -3.930 0.121 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.830 -1.086 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.314 -3.389 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.201 -1.621 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.942 -2.814 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.129 -1.769 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.873 -1.426 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.719 -0.442 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.941 -3.750 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.407 -4.610 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.654 -3.399 -2.496 1.00 0.00 H new ATOM 298 N GLU A 21 -8.034 -2.591 -2.073 1.00 0.00 N ATOM 299 CA GLU A 21 -9.269 -2.380 -2.809 1.00 0.00 C ATOM 300 C GLU A 21 -10.264 -1.587 -1.959 1.00 0.00 C ATOM 301 O GLU A 21 -10.840 -0.605 -2.425 1.00 0.00 O ATOM 302 CB GLU A 21 -9.872 -3.711 -3.261 1.00 0.00 C ATOM 303 CG GLU A 21 -9.076 -4.307 -4.424 1.00 0.00 C ATOM 304 CD GLU A 21 -9.759 -4.013 -5.762 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.332 -2.908 -5.876 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.691 -4.900 -6.640 1.00 0.00 O ATOM 0 H GLU A 21 -7.645 -3.531 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.042 -1.800 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.883 -4.412 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.908 -3.561 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.067 -3.895 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.980 -5.384 -4.289 1.00 0.00 H new ATOM 313 N ASP A 22 -10.437 -2.044 -0.727 1.00 0.00 N ATOM 314 CA ASP A 22 -11.353 -1.390 0.192 1.00 0.00 C ATOM 315 C ASP A 22 -10.953 0.079 0.344 1.00 0.00 C ATOM 316 O ASP A 22 -11.796 0.969 0.241 1.00 0.00 O ATOM 317 CB ASP A 22 -11.302 -2.040 1.576 1.00 0.00 C ATOM 318 CG ASP A 22 -12.508 -1.749 2.471 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.640 -1.970 1.989 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.271 -1.312 3.618 1.00 0.00 O ATOM 0 H ASP A 22 -9.958 -2.859 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.361 -1.483 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.213 -3.119 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.400 -1.703 2.086 1.00 0.00 H new ATOM 325 N PHE A 23 -9.667 0.287 0.587 1.00 0.00 N ATOM 326 CA PHE A 23 -9.146 1.633 0.755 1.00 0.00 C ATOM 327 C PHE A 23 -9.356 2.464 -0.512 1.00 0.00 C ATOM 328 O PHE A 23 -9.668 3.652 -0.435 1.00 0.00 O ATOM 329 CB PHE A 23 -7.645 1.501 1.021 1.00 0.00 C ATOM 330 CG PHE A 23 -6.825 2.715 0.579 1.00 0.00 C ATOM 331 CD1 PHE A 23 -7.211 3.966 0.947 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.711 2.543 -0.182 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.450 5.093 0.537 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.951 3.669 -0.592 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.336 4.921 -0.224 1.00 0.00 C ATOM 0 H PHE A 23 -8.971 -0.454 0.672 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.662 2.133 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.488 1.339 2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.272 0.616 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.096 4.102 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.405 1.549 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.756 6.087 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.067 3.532 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.757 5.778 -0.536 1.00 0.00 H new ATOM 345 N LEU A 24 -9.176 1.808 -1.649 1.00 0.00 N ATOM 346 CA LEU A 24 -9.342 2.471 -2.931 1.00 0.00 C ATOM 347 C LEU A 24 -10.830 2.718 -3.184 1.00 0.00 C ATOM 348 O LEU A 24 -11.193 3.588 -3.974 1.00 0.00 O ATOM 349 CB LEU A 24 -8.653 1.673 -4.040 1.00 0.00 C ATOM 350 CG LEU A 24 -7.191 1.299 -3.788 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.721 0.231 -4.778 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.295 2.539 -3.814 1.00 0.00 C ATOM 0 H LEU A 24 -8.917 0.823 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.854 3.446 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.219 0.756 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.706 2.251 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.115 0.869 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.679 -0.017 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.335 -0.663 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.814 0.612 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.261 2.245 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.369 3.021 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.616 3.236 -3.040 1.00 0.00 H new ATOM 364 N GLN A 25 -11.652 1.936 -2.498 1.00 0.00 N ATOM 365 CA GLN A 25 -13.093 2.059 -2.639 1.00 0.00 C ATOM 366 C GLN A 25 -13.594 3.301 -1.900 1.00 0.00 C ATOM 367 O GLN A 25 -14.427 4.043 -2.420 1.00 0.00 O ATOM 368 CB GLN A 25 -13.802 0.799 -2.138 1.00 0.00 C ATOM 369 CG GLN A 25 -13.919 -0.244 -3.251 1.00 0.00 C ATOM 370 CD GLN A 25 -15.162 0.007 -4.108 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.476 1.126 -4.480 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.849 -1.094 -4.400 1.00 0.00 N ATOM 0 H GLN A 25 -11.347 1.215 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.327 2.171 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.252 0.378 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.795 1.058 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.028 -0.214 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.968 -1.242 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.531 -2.000 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.694 -1.032 -4.968 1.00 0.00 H new ATOM 381 N SER A 26 -13.067 3.490 -0.700 1.00 0.00 N ATOM 382 CA SER A 26 -13.451 4.630 0.116 1.00 0.00 C ATOM 383 C SER A 26 -13.031 5.930 -0.572 1.00 0.00 C ATOM 384 O SER A 26 -12.039 5.960 -1.299 1.00 0.00 O ATOM 385 CB SER A 26 -12.829 4.543 1.511 1.00 0.00 C ATOM 386 OG SER A 26 -13.787 4.787 2.538 1.00 0.00 O ATOM 0 H SER A 26 -12.377 2.873 -0.272 1.00 0.00 H new ATOM 0 HA SER A 26 -14.535 4.620 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.390 3.555 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.018 5.267 1.592 1.00 0.00 H new ATOM 0 HG SER A 26 -13.396 4.566 3.409 1.00 0.00 H new ATOM 392 N GLU A 27 -13.807 6.974 -0.318 1.00 0.00 N ATOM 393 CA GLU A 27 -13.528 8.274 -0.904 1.00 0.00 C ATOM 394 C GLU A 27 -12.649 9.102 0.036 1.00 0.00 C ATOM 395 O GLU A 27 -11.557 9.525 -0.342 1.00 0.00 O ATOM 396 CB GLU A 27 -14.824 9.015 -1.236 1.00 0.00 C ATOM 397 CG GLU A 27 -14.924 9.299 -2.737 1.00 0.00 C ATOM 398 CD GLU A 27 -16.295 9.876 -3.095 1.00 0.00 C ATOM 399 OE1 GLU A 27 -17.263 9.086 -3.085 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.343 11.094 -3.372 1.00 0.00 O ATOM 0 H GLU A 27 -14.629 6.946 0.286 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.986 8.121 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.680 8.420 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.864 9.953 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.142 10.000 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.755 8.379 -3.297 1.00 0.00 H new ATOM 407 N GLU A 28 -13.157 9.308 1.242 1.00 0.00 N ATOM 408 CA GLU A 28 -12.432 10.077 2.238 1.00 0.00 C ATOM 409 C GLU A 28 -10.980 9.602 2.323 1.00 0.00 C ATOM 410 O GLU A 28 -10.053 10.403 2.214 1.00 0.00 O ATOM 411 CB GLU A 28 -13.117 9.991 3.603 1.00 0.00 C ATOM 412 CG GLU A 28 -13.171 11.364 4.277 1.00 0.00 C ATOM 413 CD GLU A 28 -13.637 11.243 5.730 1.00 0.00 C ATOM 414 OE1 GLU A 28 -13.225 10.257 6.378 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.395 12.140 6.159 1.00 0.00 O ATOM 0 H GLU A 28 -14.063 8.955 1.552 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.434 11.123 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.128 9.601 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.579 9.290 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.185 11.828 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.849 12.017 3.727 1.00 0.00 H new ATOM 422 N LYS A 29 -10.827 8.300 2.516 1.00 0.00 N ATOM 423 CA LYS A 29 -9.504 7.708 2.616 1.00 0.00 C ATOM 424 C LYS A 29 -8.583 8.348 1.575 1.00 0.00 C ATOM 425 O LYS A 29 -8.976 8.535 0.425 1.00 0.00 O ATOM 426 CB LYS A 29 -9.589 6.184 2.507 1.00 0.00 C ATOM 427 CG LYS A 29 -10.459 5.602 3.623 1.00 0.00 C ATOM 428 CD LYS A 29 -10.301 4.083 3.706 1.00 0.00 C ATOM 429 CE LYS A 29 -10.931 3.535 4.988 1.00 0.00 C ATOM 430 NZ LYS A 29 -11.338 2.124 4.804 1.00 0.00 N ATOM 0 H LYS A 29 -11.598 7.638 2.606 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.069 7.911 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.003 5.908 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.588 5.756 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.183 6.052 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.504 5.853 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.769 3.617 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.243 3.822 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.220 3.610 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.798 4.137 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.764 1.768 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.033 2.061 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.504 1.550 4.566 1.00 0.00 H new ATOM 444 N ARG A 30 -7.376 8.667 2.017 1.00 0.00 N ATOM 445 CA ARG A 30 -6.396 9.283 1.138 1.00 0.00 C ATOM 446 C ARG A 30 -5.168 8.381 0.998 1.00 0.00 C ATOM 447 O ARG A 30 -4.610 8.251 -0.091 1.00 0.00 O ATOM 448 CB ARG A 30 -5.959 10.649 1.671 1.00 0.00 C ATOM 449 CG ARG A 30 -6.627 11.782 0.889 1.00 0.00 C ATOM 450 CD ARG A 30 -5.655 12.402 -0.116 1.00 0.00 C ATOM 451 NE ARG A 30 -5.165 13.703 0.390 1.00 0.00 N ATOM 452 CZ ARG A 30 -4.201 14.424 -0.199 1.00 0.00 C ATOM 453 NH1 ARG A 30 -3.619 13.975 -1.319 1.00 0.00 N ATOM 454 NH2 ARG A 30 -3.820 15.594 0.331 1.00 0.00 N ATOM 0 H ARG A 30 -7.054 8.511 2.972 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.864 9.419 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.216 10.730 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.875 10.742 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.503 11.400 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.978 12.548 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.815 11.728 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.151 12.540 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.587 14.075 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.910 13.085 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.885 14.523 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.264 15.936 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.086 16.142 -0.118 1.00 0.00 H new ATOM 468 N SER A 31 -4.783 7.782 2.115 1.00 0.00 N ATOM 469 CA SER A 31 -3.631 6.897 2.130 1.00 0.00 C ATOM 470 C SER A 31 -3.854 5.765 3.136 1.00 0.00 C ATOM 471 O SER A 31 -4.354 5.997 4.236 1.00 0.00 O ATOM 472 CB SER A 31 -2.351 7.663 2.469 1.00 0.00 C ATOM 473 OG SER A 31 -2.389 9.004 1.989 1.00 0.00 O ATOM 0 H SER A 31 -5.248 7.892 3.016 1.00 0.00 H new ATOM 0 HA SER A 31 -3.514 6.472 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.207 7.669 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.494 7.147 2.036 1.00 0.00 H new ATOM 0 HG SER A 31 -1.555 9.460 2.227 1.00 0.00 H new ATOM 479 N LEU A 32 -3.472 4.566 2.723 1.00 0.00 N ATOM 480 CA LEU A 32 -3.625 3.398 3.574 1.00 0.00 C ATOM 481 C LEU A 32 -2.265 3.024 4.167 1.00 0.00 C ATOM 482 O LEU A 32 -1.224 3.355 3.601 1.00 0.00 O ATOM 483 CB LEU A 32 -4.295 2.258 2.805 1.00 0.00 C ATOM 484 CG LEU A 32 -4.640 1.010 3.620 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.909 1.229 4.446 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.749 -0.221 2.719 1.00 0.00 C ATOM 0 H LEU A 32 -3.057 4.378 1.811 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.288 3.620 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.212 2.639 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.638 1.963 1.987 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.826 0.824 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.132 0.327 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.758 2.063 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.742 1.453 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.995 -1.094 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.532 -0.061 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.798 -0.387 2.213 1.00 0.00 H new ATOM 498 N GLU A 33 -2.317 2.338 5.300 1.00 0.00 N ATOM 499 CA GLU A 33 -1.102 1.916 5.976 1.00 0.00 C ATOM 500 C GLU A 33 -1.190 0.434 6.347 1.00 0.00 C ATOM 501 O GLU A 33 -2.062 0.033 7.116 1.00 0.00 O ATOM 502 CB GLU A 33 -0.836 2.776 7.213 1.00 0.00 C ATOM 503 CG GLU A 33 -1.051 4.259 6.906 1.00 0.00 C ATOM 504 CD GLU A 33 -0.144 5.135 7.772 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.305 5.072 9.009 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.692 5.849 7.176 1.00 0.00 O ATOM 0 H GLU A 33 -3.182 2.064 5.767 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.263 2.051 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.498 2.469 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.186 2.617 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.848 4.449 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.094 4.523 7.082 1.00 0.00 H new ATOM 513 N LEU A 34 -0.274 -0.340 5.782 1.00 0.00 N ATOM 514 CA LEU A 34 -0.236 -1.768 6.044 1.00 0.00 C ATOM 515 C LEU A 34 0.643 -2.035 7.267 1.00 0.00 C ATOM 516 O LEU A 34 1.250 -1.115 7.812 1.00 0.00 O ATOM 517 CB LEU A 34 0.202 -2.531 4.792 1.00 0.00 C ATOM 518 CG LEU A 34 -0.880 -2.768 3.737 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.265 -3.218 2.411 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.933 -3.756 4.245 1.00 0.00 C ATOM 0 H LEU A 34 0.447 -0.004 5.144 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.233 -2.138 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.022 -1.984 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.598 -3.498 5.101 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.388 -1.822 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.056 -3.379 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.416 -2.449 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.285 -4.147 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.691 -3.907 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.456 -4.708 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.403 -3.357 5.144 1.00 0.00 H new ATOM 532 N ASP A 35 0.685 -3.300 7.661 1.00 0.00 N ATOM 533 CA ASP A 35 1.480 -3.700 8.809 1.00 0.00 C ATOM 534 C ASP A 35 2.938 -3.876 8.378 1.00 0.00 C ATOM 535 O ASP A 35 3.215 -4.142 7.210 1.00 0.00 O ATOM 536 CB ASP A 35 0.992 -5.032 9.381 1.00 0.00 C ATOM 537 CG ASP A 35 0.925 -6.182 8.374 1.00 0.00 C ATOM 538 OD1 ASP A 35 1.967 -6.434 7.730 1.00 0.00 O ATOM 539 OD2 ASP A 35 -0.166 -6.783 8.270 1.00 0.00 O ATOM 0 H ASP A 35 0.181 -4.061 7.205 1.00 0.00 H new ATOM 0 HA ASP A 35 1.386 -2.925 9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.652 -5.323 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.000 -4.885 9.809 1.00 0.00 H new ATOM 544 N PRO A 36 3.854 -3.716 9.370 1.00 0.00 N ATOM 545 CA PRO A 36 5.276 -3.854 9.105 1.00 0.00 C ATOM 546 C PRO A 36 5.662 -5.326 8.939 1.00 0.00 C ATOM 547 O PRO A 36 5.562 -6.108 9.883 1.00 0.00 O ATOM 548 CB PRO A 36 5.963 -3.190 10.287 1.00 0.00 C ATOM 549 CG PRO A 36 4.919 -3.118 11.390 1.00 0.00 C ATOM 550 CD PRO A 36 3.562 -3.400 10.766 1.00 0.00 C ATOM 0 HA PRO A 36 5.577 -3.382 8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.831 -3.766 10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.321 -2.195 10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.138 -3.845 12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.926 -2.134 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.062 -4.231 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.902 -2.536 10.847 1.00 0.00 H new ATOM 558 N CYS A 37 6.095 -5.658 7.732 1.00 0.00 N ATOM 559 CA CYS A 37 6.496 -7.021 7.430 1.00 0.00 C ATOM 560 C CYS A 37 7.923 -7.226 7.941 1.00 0.00 C ATOM 561 O CYS A 37 8.604 -6.265 8.295 1.00 0.00 O ATOM 562 CB CYS A 37 6.376 -7.328 5.936 1.00 0.00 C ATOM 563 SG CYS A 37 4.614 -7.503 5.473 1.00 0.00 S ATOM 0 H CYS A 37 6.177 -5.006 6.952 1.00 0.00 H new ATOM 0 HA CYS A 37 5.827 -7.719 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.836 -6.529 5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.915 -8.245 5.700 1.00 0.00 H new ATOM 0 HG CYS A 37 3.865 -7.095 6.454 1.00 0.00 H new ATOM 569 N THR A 38 8.334 -8.486 7.964 1.00 0.00 N ATOM 570 CA THR A 38 9.668 -8.829 8.427 1.00 0.00 C ATOM 571 C THR A 38 10.708 -8.481 7.360 1.00 0.00 C ATOM 572 O THR A 38 11.816 -8.055 7.684 1.00 0.00 O ATOM 573 CB THR A 38 9.668 -10.309 8.815 1.00 0.00 C ATOM 574 OG1 THR A 38 9.708 -10.995 7.566 1.00 0.00 O ATOM 575 CG2 THR A 38 8.342 -10.750 9.439 1.00 0.00 C ATOM 0 H THR A 38 7.767 -9.281 7.670 1.00 0.00 H new ATOM 0 HA THR A 38 9.943 -8.247 9.307 1.00 0.00 H new ATOM 0 HB THR A 38 10.481 -10.501 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.712 -11.962 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.395 -11.808 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.152 -10.167 10.340 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.533 -10.590 8.726 1.00 0.00 H new ATOM 583 N GLY A 39 10.315 -8.676 6.110 1.00 0.00 N ATOM 584 CA GLY A 39 11.200 -8.388 4.994 1.00 0.00 C ATOM 585 C GLY A 39 10.716 -9.079 3.718 1.00 0.00 C ATOM 586 O GLY A 39 10.344 -8.415 2.751 1.00 0.00 O ATOM 0 H GLY A 39 9.396 -9.030 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.249 -7.311 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.210 -8.721 5.231 1.00 0.00 H new ATOM 590 N PHE A 40 10.736 -10.403 3.756 1.00 0.00 N ATOM 591 CA PHE A 40 10.303 -11.192 2.614 1.00 0.00 C ATOM 592 C PHE A 40 8.957 -10.695 2.084 1.00 0.00 C ATOM 593 O PHE A 40 8.864 -10.239 0.946 1.00 0.00 O ATOM 594 CB PHE A 40 10.147 -12.634 3.101 1.00 0.00 C ATOM 595 CG PHE A 40 10.258 -13.680 1.990 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.456 -13.906 1.386 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.160 -14.384 1.606 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.559 -14.878 0.356 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.263 -15.356 0.576 1.00 0.00 C ATOM 600 CZ PHE A 40 10.461 -15.582 -0.028 1.00 0.00 C ATOM 0 H PHE A 40 11.045 -10.950 4.560 1.00 0.00 H new ATOM 0 HA PHE A 40 11.032 -11.112 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.908 -12.837 3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.178 -12.739 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.328 -13.346 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.209 -14.204 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.510 -15.058 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.391 -15.916 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.540 -16.320 -0.812 1.00 0.00 H new ATOM 610 N GLN A 41 7.947 -10.801 2.935 1.00 0.00 N ATOM 611 CA GLN A 41 6.609 -10.369 2.566 1.00 0.00 C ATOM 612 C GLN A 41 6.644 -8.938 2.026 1.00 0.00 C ATOM 613 O GLN A 41 5.892 -8.596 1.114 1.00 0.00 O ATOM 614 CB GLN A 41 5.649 -10.485 3.751 1.00 0.00 C ATOM 615 CG GLN A 41 5.544 -11.933 4.233 1.00 0.00 C ATOM 616 CD GLN A 41 4.306 -12.617 3.649 1.00 0.00 C ATOM 617 OE1 GLN A 41 3.683 -12.137 2.716 1.00 0.00 O ATOM 618 NE2 GLN A 41 3.986 -13.760 4.248 1.00 0.00 N ATOM 0 H GLN A 41 8.028 -11.180 3.879 1.00 0.00 H new ATOM 0 HA GLN A 41 6.241 -11.025 1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.995 -9.851 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.663 -10.122 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.439 -12.483 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.497 -11.955 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.551 -14.105 5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.175 -14.292 3.932 1.00 0.00 H new ATOM 627 N ARG A 42 7.525 -8.140 2.612 1.00 0.00 N ATOM 628 CA ARG A 42 7.667 -6.753 2.201 1.00 0.00 C ATOM 629 C ARG A 42 7.909 -6.669 0.693 1.00 0.00 C ATOM 630 O ARG A 42 7.266 -5.880 0.001 1.00 0.00 O ATOM 631 CB ARG A 42 8.827 -6.078 2.935 1.00 0.00 C ATOM 632 CG ARG A 42 8.571 -4.579 3.105 1.00 0.00 C ATOM 633 CD ARG A 42 9.720 -3.908 3.859 1.00 0.00 C ATOM 634 NE ARG A 42 10.946 -3.921 3.031 1.00 0.00 N ATOM 635 CZ ARG A 42 12.184 -3.769 3.519 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.369 -3.590 4.834 1.00 0.00 N ATOM 637 NH2 ARG A 42 13.238 -3.794 2.692 1.00 0.00 N ATOM 0 H ARG A 42 8.147 -8.427 3.368 1.00 0.00 H new ATOM 0 HA ARG A 42 6.742 -6.235 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.962 -6.541 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.752 -6.232 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.453 -4.114 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.637 -4.425 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.451 -2.882 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.901 -4.428 4.800 1.00 0.00 H new ATOM 0 HE ARG A 42 10.842 -4.054 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.567 -3.569 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.312 -3.474 5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.098 -3.929 1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.181 -3.678 3.064 1.00 0.00 H new ATOM 651 N LYS A 43 8.837 -7.492 0.227 1.00 0.00 N ATOM 652 CA LYS A 43 9.171 -7.520 -1.186 1.00 0.00 C ATOM 653 C LYS A 43 7.986 -8.079 -1.976 1.00 0.00 C ATOM 654 O LYS A 43 7.787 -7.726 -3.137 1.00 0.00 O ATOM 655 CB LYS A 43 10.477 -8.286 -1.413 1.00 0.00 C ATOM 656 CG LYS A 43 10.210 -9.780 -1.605 1.00 0.00 C ATOM 657 CD LYS A 43 11.276 -10.622 -0.902 1.00 0.00 C ATOM 658 CE LYS A 43 12.376 -11.041 -1.878 1.00 0.00 C ATOM 659 NZ LYS A 43 12.181 -12.443 -2.309 1.00 0.00 N ATOM 0 H LYS A 43 9.368 -8.145 0.804 1.00 0.00 H new ATOM 0 HA LYS A 43 9.352 -6.510 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.988 -7.889 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.142 -8.138 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.225 -10.031 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.197 -10.017 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.711 -10.052 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.815 -11.508 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.369 -10.383 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.351 -10.933 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.027 -12.771 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.024 -13.044 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.355 -12.501 -2.938 1.00 0.00 H new ATOM 673 N LEU A 44 7.229 -8.941 -1.313 1.00 0.00 N ATOM 674 CA LEU A 44 6.068 -9.552 -1.938 1.00 0.00 C ATOM 675 C LEU A 44 5.026 -8.472 -2.234 1.00 0.00 C ATOM 676 O LEU A 44 4.539 -8.365 -3.359 1.00 0.00 O ATOM 677 CB LEU A 44 5.537 -10.699 -1.076 1.00 0.00 C ATOM 678 CG LEU A 44 6.538 -11.808 -0.745 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.933 -12.819 0.231 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.054 -12.480 -2.019 1.00 0.00 C ATOM 0 H LEU A 44 7.397 -9.231 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 44 6.342 -10.002 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.165 -10.282 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.685 -11.147 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 44 7.397 -11.356 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.665 -13.597 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.656 -12.312 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.047 -13.270 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.764 -13.264 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.217 -12.916 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.549 -11.739 -2.646 1.00 0.00 H new ATOM 692 N ILE A 45 4.714 -7.698 -1.205 1.00 0.00 N ATOM 693 CA ILE A 45 3.738 -6.630 -1.340 1.00 0.00 C ATOM 694 C ILE A 45 4.132 -5.731 -2.514 1.00 0.00 C ATOM 695 O ILE A 45 3.295 -5.393 -3.350 1.00 0.00 O ATOM 696 CB ILE A 45 3.578 -5.879 -0.017 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.007 -6.795 1.068 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.736 -4.615 -0.202 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.006 -6.097 2.429 1.00 0.00 C ATOM 0 H ILE A 45 5.120 -7.789 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 45 2.754 -7.040 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 45 4.566 -5.561 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.991 -7.087 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.597 -7.710 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.638 -4.100 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.222 -3.956 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.747 -4.887 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.595 -6.769 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.027 -5.828 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.395 -5.196 2.375 1.00 0.00 H new ATOM 711 N TYR A 46 5.406 -5.369 -2.539 1.00 0.00 N ATOM 712 CA TYR A 46 5.922 -4.516 -3.596 1.00 0.00 C ATOM 713 C TYR A 46 5.827 -5.210 -4.956 1.00 0.00 C ATOM 714 O TYR A 46 5.242 -4.670 -5.894 1.00 0.00 O ATOM 715 CB TYR A 46 7.395 -4.273 -3.262 1.00 0.00 C ATOM 716 CG TYR A 46 7.618 -3.472 -1.977 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.716 -2.495 -1.609 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.720 -3.727 -1.188 1.00 0.00 C ATOM 719 CE1 TYR A 46 6.926 -1.741 -0.400 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.930 -2.973 0.021 1.00 0.00 C ATOM 721 CZ TYR A 46 8.022 -2.017 0.355 1.00 0.00 C ATOM 722 OH TYR A 46 8.221 -1.305 1.497 1.00 0.00 O ATOM 0 H TYR A 46 6.097 -5.651 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 46 5.349 -3.590 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.900 -5.235 -3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.863 -3.745 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.853 -2.296 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.425 -4.492 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.228 -0.973 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.789 -3.162 0.648 1.00 0.00 H new ATOM 0 HH TYR A 46 7.670 -0.495 1.477 1.00 0.00 H new ATOM 732 N GLN A 47 6.412 -6.397 -5.020 1.00 0.00 N ATOM 733 CA GLN A 47 6.401 -7.171 -6.250 1.00 0.00 C ATOM 734 C GLN A 47 4.986 -7.229 -6.829 1.00 0.00 C ATOM 735 O GLN A 47 4.774 -6.898 -7.994 1.00 0.00 O ATOM 736 CB GLN A 47 6.956 -8.578 -6.017 1.00 0.00 C ATOM 737 CG GLN A 47 8.284 -8.773 -6.753 1.00 0.00 C ATOM 738 CD GLN A 47 8.463 -10.230 -7.184 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.527 -10.910 -7.568 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.716 -10.669 -7.098 1.00 0.00 N ATOM 0 H GLN A 47 6.897 -6.842 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 47 7.048 -6.675 -6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.100 -8.744 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.234 -9.319 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.317 -8.124 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.110 -8.477 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.453 -10.046 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.939 -11.628 -7.362 1.00 0.00 H new ATOM 749 N THR A 48 4.054 -7.651 -5.987 1.00 0.00 N ATOM 750 CA THR A 48 2.665 -7.756 -6.401 1.00 0.00 C ATOM 751 C THR A 48 2.159 -6.408 -6.919 1.00 0.00 C ATOM 752 O THR A 48 1.873 -6.263 -8.106 1.00 0.00 O ATOM 753 CB THR A 48 1.858 -8.293 -5.217 1.00 0.00 C ATOM 754 OG1 THR A 48 2.319 -9.632 -5.061 1.00 0.00 O ATOM 755 CG2 THR A 48 0.371 -8.446 -5.542 1.00 0.00 C ATOM 0 H THR A 48 4.233 -7.924 -5.021 1.00 0.00 H new ATOM 0 HA THR A 48 2.552 -8.452 -7.233 1.00 0.00 H new ATOM 0 HB THR A 48 1.976 -7.623 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.134 -9.636 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.155 -8.830 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.043 -7.476 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.250 -9.141 -6.373 1.00 0.00 H new ATOM 763 N LEU A 49 2.065 -5.456 -6.003 1.00 0.00 N ATOM 764 CA LEU A 49 1.599 -4.125 -6.352 1.00 0.00 C ATOM 765 C LEU A 49 2.353 -3.634 -7.590 1.00 0.00 C ATOM 766 O LEU A 49 1.858 -2.779 -8.324 1.00 0.00 O ATOM 767 CB LEU A 49 1.712 -3.185 -5.150 1.00 0.00 C ATOM 768 CG LEU A 49 0.949 -3.608 -3.894 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.294 -2.701 -2.711 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.557 -3.657 -4.157 1.00 0.00 C ATOM 0 H LEU A 49 2.304 -5.580 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 49 0.540 -4.148 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.766 -3.081 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.359 -2.199 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 49 1.263 -4.618 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.738 -3.024 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.363 -2.760 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.027 -1.672 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.075 -3.961 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.906 -2.670 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.765 -4.375 -4.950 1.00 0.00 H new ATOM 782 N SER A 50 3.537 -4.195 -7.784 1.00 0.00 N ATOM 783 CA SER A 50 4.364 -3.825 -8.920 1.00 0.00 C ATOM 784 C SER A 50 3.575 -4.000 -10.220 1.00 0.00 C ATOM 785 O SER A 50 3.682 -3.180 -11.130 1.00 0.00 O ATOM 786 CB SER A 50 5.647 -4.658 -8.961 1.00 0.00 C ATOM 787 OG SER A 50 6.748 -3.916 -9.480 1.00 0.00 O ATOM 0 H SER A 50 3.944 -4.904 -7.173 1.00 0.00 H new ATOM 0 HA SER A 50 4.646 -2.778 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.886 -5.006 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.485 -5.544 -9.575 1.00 0.00 H new ATOM 0 HG SER A 50 7.548 -4.481 -9.489 1.00 0.00 H new ATOM 793 N TRP A 51 2.802 -5.075 -10.265 1.00 0.00 N ATOM 794 CA TRP A 51 1.996 -5.368 -11.438 1.00 0.00 C ATOM 795 C TRP A 51 0.526 -5.172 -11.063 1.00 0.00 C ATOM 796 O TRP A 51 -0.285 -4.781 -11.901 1.00 0.00 O ATOM 797 CB TRP A 51 2.295 -6.771 -11.972 1.00 0.00 C ATOM 798 CG TRP A 51 2.348 -7.850 -10.889 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.423 -8.308 -10.232 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.230 -8.594 -10.361 1.00 0.00 C ATOM 801 NE1 TRP A 51 3.081 -9.288 -9.323 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.705 -9.468 -9.404 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.138 -8.531 -10.681 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.880 -10.344 -8.689 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -0.949 -9.413 -9.958 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.487 -10.299 -8.991 1.00 0.00 C ATOM 0 H TRP A 51 2.717 -5.754 -9.508 1.00 0.00 H new ATOM 0 HA TRP A 51 2.241 -4.688 -12.254 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.532 -7.041 -12.702 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.249 -6.752 -12.499 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.430 -7.954 -10.394 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.720 -9.788 -8.705 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.532 -7.855 -11.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.276 -11.018 -7.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.009 -9.405 -10.166 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.179 -10.949 -8.476 1.00 0.00 H new ATOM 817 N LYS A 52 0.227 -5.452 -9.803 1.00 0.00 N ATOM 818 CA LYS A 52 -1.131 -5.311 -9.307 1.00 0.00 C ATOM 819 C LYS A 52 -1.562 -3.848 -9.422 1.00 0.00 C ATOM 820 O LYS A 52 -2.731 -3.560 -9.678 1.00 0.00 O ATOM 821 CB LYS A 52 -1.245 -5.876 -7.889 1.00 0.00 C ATOM 822 CG LYS A 52 -1.780 -7.309 -7.911 1.00 0.00 C ATOM 823 CD LYS A 52 -2.714 -7.564 -6.726 1.00 0.00 C ATOM 824 CE LYS A 52 -4.176 -7.593 -7.177 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.782 -8.910 -6.884 1.00 0.00 N ATOM 0 H LYS A 52 0.902 -5.776 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.821 -5.896 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.268 -5.856 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.907 -5.246 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.314 -7.487 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.948 -8.012 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.457 -8.512 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.576 -6.785 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.735 -6.808 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.237 -7.387 -8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.765 -8.778 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.767 -9.498 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.241 -9.382 -6.131 1.00 0.00 H new ATOM 839 N TYR A 53 -0.596 -2.963 -9.229 1.00 0.00 N ATOM 840 CA TYR A 53 -0.861 -1.536 -9.308 1.00 0.00 C ATOM 841 C TYR A 53 0.412 -0.760 -9.652 1.00 0.00 C ATOM 842 O TYR A 53 1.064 -0.208 -8.768 1.00 0.00 O ATOM 843 CB TYR A 53 -1.339 -1.118 -7.916 1.00 0.00 C ATOM 844 CG TYR A 53 -2.553 -1.901 -7.413 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.828 -1.469 -7.718 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.374 -3.041 -6.655 1.00 0.00 C ATOM 847 CE1 TYR A 53 -4.971 -2.206 -7.244 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.516 -3.778 -6.182 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.759 -3.325 -6.500 1.00 0.00 C ATOM 850 OH TYR A 53 -5.838 -4.021 -6.053 1.00 0.00 O ATOM 0 H TYR A 53 0.372 -3.206 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.597 -1.325 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.519 -1.245 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.585 -0.056 -7.931 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.969 -0.578 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.377 -3.380 -6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.974 -1.878 -7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.389 -4.671 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.580 -3.916 -6.685 1.00 0.00 H new ATOM 860 N PRO A 54 0.735 -0.742 -10.973 1.00 0.00 N ATOM 861 CA PRO A 54 1.918 -0.043 -11.445 1.00 0.00 C ATOM 862 C PRO A 54 1.697 1.471 -11.443 1.00 0.00 C ATOM 863 O PRO A 54 2.555 2.227 -10.989 1.00 0.00 O ATOM 864 CB PRO A 54 2.178 -0.603 -12.833 1.00 0.00 C ATOM 865 CG PRO A 54 0.875 -1.250 -13.273 1.00 0.00 C ATOM 866 CD PRO A 54 -0.015 -1.385 -12.048 1.00 0.00 C ATOM 0 HA PRO A 54 2.783 -0.197 -10.800 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.474 0.187 -13.523 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.989 -1.331 -12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.386 -0.643 -14.035 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.065 -2.227 -13.717 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.979 -0.900 -12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.218 -2.431 -11.819 1.00 0.00 H new ATOM 874 N LYS A 55 0.541 1.869 -11.954 1.00 0.00 N ATOM 875 CA LYS A 55 0.197 3.280 -12.017 1.00 0.00 C ATOM 876 C LYS A 55 -1.198 3.487 -11.423 1.00 0.00 C ATOM 877 O LYS A 55 -2.174 2.917 -11.909 1.00 0.00 O ATOM 878 CB LYS A 55 0.340 3.803 -13.448 1.00 0.00 C ATOM 879 CG LYS A 55 -0.380 2.888 -14.441 1.00 0.00 C ATOM 880 CD LYS A 55 0.616 2.208 -15.382 1.00 0.00 C ATOM 881 CE LYS A 55 0.810 3.027 -16.659 1.00 0.00 C ATOM 882 NZ LYS A 55 0.919 2.135 -17.835 1.00 0.00 N ATOM 0 H LYS A 55 -0.169 1.240 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 55 0.890 3.869 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.070 4.811 -13.513 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.396 3.871 -13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.948 2.132 -13.899 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.097 3.468 -15.022 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.574 2.084 -14.876 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.259 1.210 -15.636 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.028 3.711 -16.790 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.709 3.637 -16.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.050 2.707 -18.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.733 1.500 -17.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.050 1.571 -17.925 1.00 0.00 H new ATOM 896 N GLY A 56 -1.247 4.303 -10.381 1.00 0.00 N ATOM 897 CA GLY A 56 -2.506 4.592 -9.716 1.00 0.00 C ATOM 898 C GLY A 56 -2.289 4.863 -8.226 1.00 0.00 C ATOM 899 O GLY A 56 -2.989 5.682 -7.632 1.00 0.00 O ATOM 0 H GLY A 56 -0.435 4.773 -9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.977 5.457 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.189 3.752 -9.841 1.00 0.00 H new ATOM 903 N ILE A 57 -1.317 4.160 -7.664 1.00 0.00 N ATOM 904 CA ILE A 57 -0.999 4.314 -6.255 1.00 0.00 C ATOM 905 C ILE A 57 0.512 4.491 -6.094 1.00 0.00 C ATOM 906 O ILE A 57 1.271 4.262 -7.034 1.00 0.00 O ATOM 907 CB ILE A 57 -1.572 3.149 -5.446 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.291 1.812 -6.136 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.063 3.351 -5.173 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.207 1.629 -6.388 1.00 0.00 C ATOM 0 H ILE A 57 -0.739 3.482 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.470 5.212 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.069 3.125 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.662 0.995 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.831 1.766 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.445 2.508 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.208 4.272 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.600 3.417 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.379 0.671 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.570 2.435 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.741 1.651 -5.438 1.00 0.00 H new ATOM 922 N HIS A 58 0.904 4.897 -4.895 1.00 0.00 N ATOM 923 CA HIS A 58 2.310 5.108 -4.598 1.00 0.00 C ATOM 924 C HIS A 58 2.668 4.408 -3.285 1.00 0.00 C ATOM 925 O HIS A 58 2.329 4.893 -2.207 1.00 0.00 O ATOM 926 CB HIS A 58 2.646 6.600 -4.586 1.00 0.00 C ATOM 927 CG HIS A 58 3.961 6.929 -3.921 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.337 6.869 -2.611 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 5.065 7.378 -4.624 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 5.602 7.260 -2.519 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 6.055 7.576 -3.766 1.00 0.00 N flip ATOM 0 H HIS A 58 0.271 5.085 -4.117 1.00 0.00 H new ATOM 0 HA HIS A 58 2.921 4.665 -5.384 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.669 6.965 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.848 7.137 -4.074 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.112 7.540 -5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.178 7.318 -1.607 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.992 7.907 -3.997 1.00 0.00 H new ATOM 939 N VAL A 59 3.349 3.280 -3.420 1.00 0.00 N ATOM 940 CA VAL A 59 3.757 2.509 -2.257 1.00 0.00 C ATOM 941 C VAL A 59 4.988 3.160 -1.625 1.00 0.00 C ATOM 942 O VAL A 59 6.064 3.174 -2.223 1.00 0.00 O ATOM 943 CB VAL A 59 3.989 1.049 -2.653 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.339 0.199 -1.430 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.774 0.480 -3.387 1.00 0.00 C ATOM 0 H VAL A 59 3.629 2.881 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 59 2.969 2.507 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 59 4.837 1.018 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.499 -0.834 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.248 0.584 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.520 0.240 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.965 -0.559 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.900 0.531 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.589 1.062 -4.290 1.00 0.00 H new ATOM 955 N GLU A 60 4.790 3.685 -0.424 1.00 0.00 N ATOM 956 CA GLU A 60 5.872 4.336 0.295 1.00 0.00 C ATOM 957 C GLU A 60 6.219 3.546 1.559 1.00 0.00 C ATOM 958 O GLU A 60 5.358 2.888 2.141 1.00 0.00 O ATOM 959 CB GLU A 60 5.510 5.783 0.635 1.00 0.00 C ATOM 960 CG GLU A 60 4.174 5.855 1.377 1.00 0.00 C ATOM 961 CD GLU A 60 3.124 6.593 0.545 1.00 0.00 C ATOM 962 OE1 GLU A 60 3.294 7.819 0.374 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.174 5.914 0.099 1.00 0.00 O ATOM 0 H GLU A 60 3.897 3.673 0.069 1.00 0.00 H new ATOM 0 HA GLU A 60 6.751 4.357 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.295 6.223 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.454 6.372 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.823 4.847 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.311 6.364 2.331 1.00 0.00 H new ATOM 970 N THR A 61 7.483 3.638 1.947 1.00 0.00 N ATOM 971 CA THR A 61 7.955 2.941 3.131 1.00 0.00 C ATOM 972 C THR A 61 8.401 3.943 4.197 1.00 0.00 C ATOM 973 O THR A 61 9.468 4.545 4.082 1.00 0.00 O ATOM 974 CB THR A 61 9.063 1.977 2.702 1.00 0.00 C ATOM 975 OG1 THR A 61 8.407 1.062 1.828 1.00 0.00 O ATOM 976 CG2 THR A 61 9.557 1.102 3.855 1.00 0.00 C ATOM 0 H THR A 61 8.194 4.185 1.462 1.00 0.00 H new ATOM 0 HA THR A 61 7.157 2.358 3.591 1.00 0.00 H new ATOM 0 HB THR A 61 9.899 2.544 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.933 0.238 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.342 0.437 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.953 1.736 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.729 0.509 4.243 1.00 0.00 H new ATOM 1127 N HIS A 70 7.115 0.587 7.790 1.00 0.00 N ATOM 1128 CA HIS A 70 5.740 0.202 7.519 1.00 0.00 C ATOM 1129 C HIS A 70 5.342 0.674 6.119 1.00 0.00 C ATOM 1130 O HIS A 70 5.516 1.844 5.782 1.00 0.00 O ATOM 1131 CB HIS A 70 4.804 0.725 8.610 1.00 0.00 C ATOM 1132 CG HIS A 70 4.850 2.223 8.793 1.00 0.00 C ATOM 1133 ND1 HIS A 70 6.011 2.903 9.116 1.00 0.00 N ATOM 1134 CD2 HIS A 70 3.867 3.163 8.695 1.00 0.00 C ATOM 1135 CE1 HIS A 70 5.728 4.194 9.206 1.00 0.00 C ATOM 1136 NE2 HIS A 70 4.399 4.354 8.945 1.00 0.00 N ATOM 0 HA HIS A 70 5.652 -0.884 7.537 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.783 0.430 8.370 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.061 0.246 9.555 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.929 2.482 9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.832 2.972 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.427 4.982 9.444 1.00 0.00 H new ATOM 1144 N ILE A 71 4.814 -0.260 5.342 1.00 0.00 N ATOM 1145 CA ILE A 71 4.389 0.046 3.987 1.00 0.00 C ATOM 1146 C ILE A 71 3.141 0.928 4.035 1.00 0.00 C ATOM 1147 O ILE A 71 2.225 0.673 4.817 1.00 0.00 O ATOM 1148 CB ILE A 71 4.202 -1.241 3.180 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.546 -1.922 2.915 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.431 -0.970 1.887 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.346 -3.340 2.377 1.00 0.00 C ATOM 0 H ILE A 71 4.671 -1.229 5.625 1.00 0.00 H new ATOM 0 HA ILE A 71 5.160 0.613 3.465 1.00 0.00 H new ATOM 0 HB ILE A 71 3.603 -1.932 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.120 -1.335 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.128 -1.957 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.312 -1.901 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.449 -0.563 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.982 -0.253 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.317 -3.801 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.793 -3.931 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.785 -3.299 1.443 1.00 0.00 H new ATOM 1163 N VAL A 72 3.143 1.949 3.191 1.00 0.00 N ATOM 1164 CA VAL A 72 2.021 2.871 3.127 1.00 0.00 C ATOM 1165 C VAL A 72 1.611 3.069 1.667 1.00 0.00 C ATOM 1166 O VAL A 72 2.465 3.177 0.788 1.00 0.00 O ATOM 1167 CB VAL A 72 2.381 4.181 3.830 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.424 5.303 3.422 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.399 4.002 5.349 1.00 0.00 C ATOM 0 H VAL A 72 3.904 2.159 2.545 1.00 0.00 H new ATOM 0 HA VAL A 72 1.159 2.461 3.653 1.00 0.00 H new ATOM 0 HB VAL A 72 3.385 4.465 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.702 6.223 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.482 5.457 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.405 5.029 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.658 4.948 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.414 3.683 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.138 3.247 5.618 1.00 0.00 H new ATOM 1179 N ILE A 73 0.304 3.110 1.453 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.230 3.293 0.114 1.00 0.00 C ATOM 1181 C ILE A 73 -0.914 4.658 0.025 1.00 0.00 C ATOM 1182 O ILE A 73 -1.848 4.939 0.774 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.140 2.122 -0.264 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.370 0.801 -0.248 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.823 2.372 -1.611 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.108 0.336 1.186 1.00 0.00 C ATOM 0 H ILE A 73 -0.401 3.020 2.185 1.00 0.00 H new ATOM 0 HA ILE A 73 0.575 3.291 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.926 2.044 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.937 0.039 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.577 0.922 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.464 1.525 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.426 3.278 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.066 2.491 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.441 -0.606 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.480 1.089 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.058 0.193 1.701 1.00 0.00 H new ATOM 1198 N SER A 74 -0.422 5.471 -0.899 1.00 0.00 N ATOM 1199 CA SER A 74 -0.975 6.801 -1.096 1.00 0.00 C ATOM 1200 C SER A 74 -1.743 6.857 -2.418 1.00 0.00 C ATOM 1201 O SER A 74 -1.412 6.144 -3.364 1.00 0.00 O ATOM 1202 CB SER A 74 0.126 7.863 -1.076 1.00 0.00 C ATOM 1203 OG SER A 74 -0.309 9.093 -1.649 1.00 0.00 O ATOM 0 H SER A 74 0.353 5.235 -1.519 1.00 0.00 H new ATOM 0 HA SER A 74 -1.661 7.012 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.446 8.035 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.994 7.495 -1.623 1.00 0.00 H new ATOM 0 HG SER A 74 0.421 9.746 -1.616 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.756 7.712 -2.441 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.574 7.871 -3.631 1.00 0.00 C ATOM 1211 C LYS A 75 -2.781 8.636 -4.691 1.00 0.00 C ATOM 1212 O LYS A 75 -2.228 9.699 -4.411 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.914 8.520 -3.277 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.923 7.471 -2.803 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.307 8.093 -2.607 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.345 7.413 -3.503 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.496 8.313 -3.736 1.00 0.00 N ATOM 0 H LYS A 75 -3.028 8.301 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.820 6.898 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.766 9.266 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.310 9.043 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.983 6.663 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.582 7.030 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.606 8.001 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.267 9.158 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.890 7.141 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.687 6.489 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.191 7.837 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.940 8.552 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.167 9.184 -4.200 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.749 8.067 -5.887 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.033 8.682 -6.991 1.00 0.00 C ATOM 1233 C VAL A 76 -2.971 8.813 -8.193 1.00 0.00 C ATOM 1234 O VAL A 76 -4.021 8.174 -8.237 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.767 7.882 -7.305 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.045 8.455 -8.526 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.163 7.830 -6.091 1.00 0.00 C ATOM 0 H VAL A 76 -3.208 7.185 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.708 9.687 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.065 6.861 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.851 7.868 -8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.707 8.416 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.235 9.490 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.055 7.256 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.450 8.843 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.353 7.354 -5.257 1.00 0.00 H new