USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -40:sc= 0.285 USER MOD Set 1.2: A 83 CYS SG : rot 160:sc= -0.0264 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.239) USER MOD Single : A 15 GLN : amide:sc= -4.76! C(o=-4.8!,f=-9.9!) USER MOD Single : A 18 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-5.8!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.671 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 43 THR OG1 : rot -24:sc= 0.349 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.103 (180deg=-0.317) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 40:sc= 0.99 USER MOD Single : A 54 SER OG : rot 66:sc= 0.123 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.804 USER MOD Single : A 65 THR OG1 : rot 14:sc= 0.765 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.29) USER MOD Single : A 81 TYR OH : rot -27:sc= 1.1 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0043 K(o=-0.0043,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -0.973 K(o=-0.97,f=-1.9) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 6.796 17.694 2.606 1.00 0.00 N ATOM 89 CA VAL A 9 7.080 16.500 1.819 1.00 0.00 C ATOM 90 C VAL A 9 7.611 15.375 2.700 1.00 0.00 C ATOM 91 O VAL A 9 8.451 15.598 3.571 1.00 0.00 O ATOM 92 CB VAL A 9 8.103 16.792 0.705 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.419 15.525 -0.075 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.585 17.883 -0.220 1.00 0.00 C ATOM 0 HA VAL A 9 6.139 16.189 1.365 1.00 0.00 H new ATOM 0 HB VAL A 9 9.026 17.146 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.143 15.751 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.835 14.777 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.505 15.138 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.320 18.077 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.649 17.560 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.415 18.795 0.352 1.00 0.00 H new ATOM 104 N VAL A 10 7.115 14.164 2.467 1.00 0.00 N ATOM 105 CA VAL A 10 7.541 13.002 3.238 1.00 0.00 C ATOM 106 C VAL A 10 8.135 11.929 2.332 1.00 0.00 C ATOM 107 O VAL A 10 8.944 11.110 2.770 1.00 0.00 O ATOM 108 CB VAL A 10 6.369 12.395 4.032 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.811 11.134 4.758 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.806 13.414 5.012 1.00 0.00 C ATOM 0 H VAL A 10 6.418 13.962 1.750 1.00 0.00 H new ATOM 0 HA VAL A 10 8.303 13.348 3.936 1.00 0.00 H new ATOM 0 HB VAL A 10 5.580 12.124 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.969 10.720 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.163 10.401 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.618 11.376 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.979 12.969 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.587 13.718 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.449 14.286 4.465 1.00 0.00 H new ATOM 120 N PHE A 11 7.730 11.940 1.066 1.00 0.00 N ATOM 121 CA PHE A 11 8.222 10.967 0.098 1.00 0.00 C ATOM 122 C PHE A 11 9.097 11.643 -0.955 1.00 0.00 C ATOM 123 O PHE A 11 9.380 12.837 -0.868 1.00 0.00 O ATOM 124 CB PHE A 11 7.051 10.252 -0.579 1.00 0.00 C ATOM 125 CG PHE A 11 6.246 9.399 0.360 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.643 8.105 0.654 1.00 0.00 C ATOM 127 CD2 PHE A 11 5.093 9.892 0.948 1.00 0.00 C ATOM 128 CE1 PHE A 11 5.905 7.317 1.517 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.351 9.110 1.813 1.00 0.00 C ATOM 130 CZ PHE A 11 4.757 7.821 2.097 1.00 0.00 C ATOM 0 H PHE A 11 7.063 12.612 0.687 1.00 0.00 H new ATOM 0 HA PHE A 11 8.826 10.234 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.396 10.995 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.434 9.628 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.540 7.707 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.770 10.899 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.225 6.309 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.455 9.507 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.178 7.208 2.772 1.00 0.00 H new ATOM 140 N ALA A 12 9.522 10.868 -1.948 1.00 0.00 N ATOM 141 CA ALA A 12 10.362 11.391 -3.017 1.00 0.00 C ATOM 142 C ALA A 12 9.591 12.374 -3.891 1.00 0.00 C ATOM 143 O ALA A 12 8.417 12.652 -3.645 1.00 0.00 O ATOM 144 CB ALA A 12 10.912 10.250 -3.861 1.00 0.00 C ATOM 0 H ALA A 12 9.298 9.877 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 12 11.195 11.927 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.538 10.655 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.507 9.587 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.086 9.690 -4.299 1.00 0.00 H new ATOM 150 N LYS A 13 10.258 12.899 -4.914 1.00 0.00 N ATOM 151 CA LYS A 13 9.636 13.852 -5.826 1.00 0.00 C ATOM 152 C LYS A 13 9.537 13.272 -7.233 1.00 0.00 C ATOM 153 O LYS A 13 8.722 13.717 -8.040 1.00 0.00 O ATOM 154 CB LYS A 13 10.434 15.157 -5.855 1.00 0.00 C ATOM 155 CG LYS A 13 11.842 14.997 -6.404 1.00 0.00 C ATOM 156 CD LYS A 13 12.798 16.003 -5.787 1.00 0.00 C ATOM 157 CE LYS A 13 12.834 17.299 -6.583 1.00 0.00 C ATOM 158 NZ LYS A 13 11.678 18.180 -6.260 1.00 0.00 N ATOM 0 H LYS A 13 11.230 12.680 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 13 8.628 14.058 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.898 15.888 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.491 15.561 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.198 13.986 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.828 15.123 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.495 16.213 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.799 15.575 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.764 17.828 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.830 17.071 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.877 19.147 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.825 17.823 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.523 18.186 -5.232 1.00 0.00 H new ATOM 172 N GLU A 14 10.370 12.277 -7.519 1.00 0.00 N ATOM 173 CA GLU A 14 10.374 11.637 -8.829 1.00 0.00 C ATOM 174 C GLU A 14 9.556 10.349 -8.808 1.00 0.00 C ATOM 175 O GLU A 14 9.889 9.380 -9.489 1.00 0.00 O ATOM 176 CB GLU A 14 11.808 11.335 -9.269 1.00 0.00 C ATOM 177 CG GLU A 14 12.665 12.578 -9.445 1.00 0.00 C ATOM 178 CD GLU A 14 13.797 12.371 -10.433 1.00 0.00 C ATOM 179 OE1 GLU A 14 13.538 11.825 -11.526 1.00 0.00 O ATOM 180 OE2 GLU A 14 14.941 12.757 -10.113 1.00 0.00 O ATOM 0 H GLU A 14 11.051 11.897 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 14 9.919 12.325 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.276 10.683 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.782 10.785 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.038 13.402 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.079 12.869 -8.480 1.00 0.00 H new ATOM 187 N GLN A 15 8.484 10.349 -8.022 1.00 0.00 N ATOM 188 CA GLN A 15 7.619 9.180 -7.911 1.00 0.00 C ATOM 189 C GLN A 15 6.155 9.569 -8.086 1.00 0.00 C ATOM 190 O GLN A 15 5.716 10.638 -7.661 1.00 0.00 O ATOM 191 CB GLN A 15 7.819 8.497 -6.557 1.00 0.00 C ATOM 192 CG GLN A 15 7.497 9.392 -5.371 1.00 0.00 C ATOM 193 CD GLN A 15 7.383 8.619 -4.072 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.525 8.909 -3.237 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.249 7.628 -3.893 1.00 0.00 N ATOM 0 H GLN A 15 8.194 11.144 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 15 7.889 8.483 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.191 7.608 -6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.853 8.161 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.274 10.150 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.561 9.917 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.944 7.422 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.219 7.073 -3.038 1.00 0.00 H new ATOM 204 N PRO A 16 5.379 8.682 -8.727 1.00 0.00 N ATOM 205 CA PRO A 16 3.952 8.910 -8.972 1.00 0.00 C ATOM 206 C PRO A 16 3.127 8.854 -7.691 1.00 0.00 C ATOM 207 O PRO A 16 3.499 8.180 -6.731 1.00 0.00 O ATOM 208 CB PRO A 16 3.565 7.763 -9.908 1.00 0.00 C ATOM 209 CG PRO A 16 4.553 6.687 -9.617 1.00 0.00 C ATOM 210 CD PRO A 16 5.835 7.387 -9.260 1.00 0.00 C ATOM 0 HA PRO A 16 3.763 9.900 -9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.546 7.426 -9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.612 8.071 -10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.212 6.055 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.690 6.039 -10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.406 6.827 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.479 7.515 -10.130 1.00 0.00 H new ATOM 218 N ALA A 17 2.005 9.567 -7.684 1.00 0.00 N ATOM 219 CA ALA A 17 1.126 9.596 -6.521 1.00 0.00 C ATOM 220 C ALA A 17 0.524 8.220 -6.254 1.00 0.00 C ATOM 221 O ALA A 17 0.414 7.792 -5.104 1.00 0.00 O ATOM 222 CB ALA A 17 0.025 10.627 -6.717 1.00 0.00 C ATOM 0 H ALA A 17 1.684 10.132 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 17 1.722 9.878 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.624 10.638 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.470 11.613 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.561 10.370 -7.599 1.00 0.00 H new ATOM 228 N HIS A 18 0.134 7.532 -7.322 1.00 0.00 N ATOM 229 CA HIS A 18 -0.458 6.204 -7.203 1.00 0.00 C ATOM 230 C HIS A 18 0.004 5.299 -8.341 1.00 0.00 C ATOM 231 O HIS A 18 -0.048 5.681 -9.510 1.00 0.00 O ATOM 232 CB HIS A 18 -1.984 6.301 -7.199 1.00 0.00 C ATOM 233 CG HIS A 18 -2.663 5.084 -7.746 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.313 3.800 -7.382 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.677 4.959 -8.633 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.082 2.938 -8.024 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.919 3.616 -8.789 1.00 0.00 N ATOM 0 H HIS A 18 0.217 7.872 -8.280 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.127 5.769 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.326 6.470 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.286 7.169 -7.784 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.576 3.554 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.199 5.765 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.034 1.862 -7.938 1.00 0.00 H new ATOM 246 N ARG A 19 0.455 4.099 -7.991 1.00 0.00 N ATOM 247 CA ARG A 19 0.927 3.141 -8.983 1.00 0.00 C ATOM 248 C ARG A 19 0.146 1.833 -8.890 1.00 0.00 C ATOM 249 O ARG A 19 -0.363 1.478 -7.828 1.00 0.00 O ATOM 250 CB ARG A 19 2.421 2.870 -8.791 1.00 0.00 C ATOM 251 CG ARG A 19 3.084 2.232 -10.000 1.00 0.00 C ATOM 252 CD ARG A 19 4.496 1.767 -9.681 1.00 0.00 C ATOM 253 NE ARG A 19 5.189 1.267 -10.865 1.00 0.00 N ATOM 254 CZ ARG A 19 5.009 0.048 -11.362 1.00 0.00 C ATOM 255 NH1 ARG A 19 4.161 -0.790 -10.781 1.00 0.00 N ATOM 256 NH2 ARG A 19 5.676 -0.334 -12.443 1.00 0.00 N ATOM 0 H ARG A 19 0.503 3.767 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 19 0.767 3.571 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.926 3.809 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.555 2.219 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.488 1.384 -10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.113 2.949 -10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.062 2.594 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.457 0.982 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 19 5.847 1.887 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.645 -0.499 -9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.025 -1.725 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.328 0.308 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.537 -1.270 -12.824 1.00 0.00 H new ATOM 270 N GLU A 20 0.056 1.123 -10.010 1.00 0.00 N ATOM 271 CA GLU A 20 -0.664 -0.144 -10.055 1.00 0.00 C ATOM 272 C GLU A 20 0.307 -1.322 -10.047 1.00 0.00 C ATOM 273 O GLU A 20 1.396 -1.247 -10.616 1.00 0.00 O ATOM 274 CB GLU A 20 -1.551 -0.208 -11.300 1.00 0.00 C ATOM 275 CG GLU A 20 -2.730 0.748 -11.258 1.00 0.00 C ATOM 276 CD GLU A 20 -3.154 1.214 -12.637 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.636 0.372 -13.424 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.005 2.418 -12.930 1.00 0.00 O ATOM 0 H GLU A 20 0.472 1.404 -10.898 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.292 -0.207 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.945 0.014 -12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.923 -1.226 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.572 0.258 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.469 1.614 -10.650 1.00 0.00 H new ATOM 285 N VAL A 21 -0.097 -2.409 -9.397 1.00 0.00 N ATOM 286 CA VAL A 21 0.735 -3.603 -9.314 1.00 0.00 C ATOM 287 C VAL A 21 -0.097 -4.867 -9.501 1.00 0.00 C ATOM 288 O VAL A 21 -1.172 -5.005 -8.919 1.00 0.00 O ATOM 289 CB VAL A 21 1.472 -3.682 -7.964 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.249 -4.984 -7.854 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.394 -2.484 -7.790 1.00 0.00 C ATOM 0 H VAL A 21 -0.995 -2.487 -8.920 1.00 0.00 H new ATOM 0 HA VAL A 21 1.469 -3.533 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 21 0.732 -3.661 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.763 -5.021 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.561 -5.826 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.981 -5.040 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.907 -2.556 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.129 -2.471 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.807 -1.566 -7.820 1.00 0.00 H new ATOM 301 N GLN A 22 0.409 -5.786 -10.317 1.00 0.00 N ATOM 302 CA GLN A 22 -0.288 -7.039 -10.581 1.00 0.00 C ATOM 303 C GLN A 22 0.541 -8.232 -10.118 1.00 0.00 C ATOM 304 O GLN A 22 1.763 -8.243 -10.261 1.00 0.00 O ATOM 305 CB GLN A 22 -0.601 -7.169 -12.073 1.00 0.00 C ATOM 306 CG GLN A 22 -1.692 -8.181 -12.380 1.00 0.00 C ATOM 307 CD GLN A 22 -2.004 -8.272 -13.861 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.482 -7.500 -14.666 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.859 -9.219 -14.229 1.00 0.00 N ATOM 0 H GLN A 22 1.298 -5.686 -10.806 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.223 -7.030 -10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.902 -6.195 -12.459 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.308 -7.455 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.385 -9.162 -12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.598 -7.909 -11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.268 -9.837 -13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.107 -9.328 -15.212 1.00 0.00 H new ATOM 318 N ALA A 23 -0.132 -9.234 -9.562 1.00 0.00 N ATOM 319 CA ALA A 23 0.543 -10.432 -9.078 1.00 0.00 C ATOM 320 C ALA A 23 -0.260 -11.686 -9.409 1.00 0.00 C ATOM 321 O ALA A 23 -1.360 -11.602 -9.954 1.00 0.00 O ATOM 322 CB ALA A 23 0.781 -10.335 -7.579 1.00 0.00 C ATOM 0 H ALA A 23 -1.144 -9.240 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 23 1.506 -10.505 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.286 -11.237 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.403 -9.466 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.175 -10.233 -7.065 1.00 0.00 H new ATOM 328 N GLU A 24 0.298 -12.845 -9.076 1.00 0.00 N ATOM 329 CA GLU A 24 -0.367 -14.116 -9.340 1.00 0.00 C ATOM 330 C GLU A 24 -0.737 -14.817 -8.036 1.00 0.00 C ATOM 331 O GLU A 24 -0.144 -14.557 -6.990 1.00 0.00 O ATOM 332 CB GLU A 24 0.532 -15.023 -10.183 1.00 0.00 C ATOM 333 CG GLU A 24 0.803 -14.485 -11.578 1.00 0.00 C ATOM 334 CD GLU A 24 1.800 -13.342 -11.579 1.00 0.00 C ATOM 335 OE1 GLU A 24 2.790 -13.417 -10.822 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.589 -12.374 -12.339 1.00 0.00 O ATOM 0 H GLU A 24 1.208 -12.931 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.283 -13.909 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.481 -15.162 -9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.067 -16.006 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.180 -15.291 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.133 -14.146 -12.021 1.00 0.00 H new ATOM 343 N ALA A 25 -1.721 -15.707 -8.109 1.00 0.00 N ATOM 344 CA ALA A 25 -2.169 -16.447 -6.936 1.00 0.00 C ATOM 345 C ALA A 25 -1.060 -17.344 -6.395 1.00 0.00 C ATOM 346 O ALA A 25 -0.567 -18.228 -7.094 1.00 0.00 O ATOM 347 CB ALA A 25 -3.402 -17.274 -7.272 1.00 0.00 C ATOM 0 H ALA A 25 -2.223 -15.933 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.428 -15.726 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.725 -17.821 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.204 -16.614 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.161 -17.980 -8.067 1.00 0.00 H new ATOM 353 N GLY A 26 -0.672 -17.108 -5.145 1.00 0.00 N ATOM 354 CA GLY A 26 0.378 -17.902 -4.533 1.00 0.00 C ATOM 355 C GLY A 26 1.741 -17.249 -4.649 1.00 0.00 C ATOM 356 O GLY A 26 2.692 -17.662 -3.986 1.00 0.00 O ATOM 0 H GLY A 26 -1.065 -16.382 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.143 -18.060 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.408 -18.884 -5.004 1.00 0.00 H new ATOM 360 N ALA A 27 1.837 -16.229 -5.495 1.00 0.00 N ATOM 361 CA ALA A 27 3.093 -15.518 -5.695 1.00 0.00 C ATOM 362 C ALA A 27 3.358 -14.538 -4.557 1.00 0.00 C ATOM 363 O ALA A 27 2.505 -14.330 -3.694 1.00 0.00 O ATOM 364 CB ALA A 27 3.080 -14.789 -7.030 1.00 0.00 C ATOM 0 H ALA A 27 1.059 -15.877 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 27 3.899 -16.251 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.024 -14.262 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.947 -15.510 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.259 -14.072 -7.045 1.00 0.00 H new ATOM 370 N SER A 28 4.544 -13.939 -4.562 1.00 0.00 N ATOM 371 CA SER A 28 4.922 -12.983 -3.527 1.00 0.00 C ATOM 372 C SER A 28 5.010 -11.571 -4.097 1.00 0.00 C ATOM 373 O SER A 28 5.984 -11.218 -4.761 1.00 0.00 O ATOM 374 CB SER A 28 6.262 -13.378 -2.903 1.00 0.00 C ATOM 375 OG SER A 28 6.425 -12.785 -1.627 1.00 0.00 O ATOM 0 H SER A 28 5.260 -14.098 -5.271 1.00 0.00 H new ATOM 0 HA SER A 28 4.152 -12.997 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.319 -14.463 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.077 -13.069 -3.558 1.00 0.00 H new ATOM 0 HG SER A 28 7.288 -13.054 -1.249 1.00 0.00 H new ATOM 381 N ALA A 29 3.985 -10.768 -3.833 1.00 0.00 N ATOM 382 CA ALA A 29 3.947 -9.393 -4.317 1.00 0.00 C ATOM 383 C ALA A 29 4.990 -8.533 -3.612 1.00 0.00 C ATOM 384 O ALA A 29 5.616 -8.966 -2.643 1.00 0.00 O ATOM 385 CB ALA A 29 2.557 -8.805 -4.124 1.00 0.00 C ATOM 0 H ALA A 29 3.170 -11.046 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 29 4.182 -9.402 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.542 -7.778 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.831 -9.398 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.301 -8.817 -3.065 1.00 0.00 H new ATOM 391 N THR A 30 5.175 -7.312 -4.104 1.00 0.00 N ATOM 392 CA THR A 30 6.144 -6.392 -3.523 1.00 0.00 C ATOM 393 C THR A 30 5.839 -4.951 -3.917 1.00 0.00 C ATOM 394 O THR A 30 5.955 -4.579 -5.085 1.00 0.00 O ATOM 395 CB THR A 30 7.580 -6.739 -3.959 1.00 0.00 C ATOM 396 OG1 THR A 30 7.850 -8.121 -3.697 1.00 0.00 O ATOM 397 CG2 THR A 30 8.592 -5.872 -3.226 1.00 0.00 C ATOM 0 H THR A 30 4.666 -6.937 -4.904 1.00 0.00 H new ATOM 0 HA THR A 30 6.067 -6.494 -2.441 1.00 0.00 H new ATOM 0 HB THR A 30 7.668 -6.548 -5.028 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.262 -8.439 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.599 -6.135 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.401 -4.822 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.502 -6.036 -2.152 1.00 0.00 H new ATOM 405 N LEU A 31 5.450 -4.144 -2.936 1.00 0.00 N ATOM 406 CA LEU A 31 5.129 -2.742 -3.181 1.00 0.00 C ATOM 407 C LEU A 31 6.237 -1.832 -2.662 1.00 0.00 C ATOM 408 O LEU A 31 6.279 -1.501 -1.477 1.00 0.00 O ATOM 409 CB LEU A 31 3.801 -2.379 -2.515 1.00 0.00 C ATOM 410 CG LEU A 31 2.673 -3.400 -2.667 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.578 -3.142 -1.643 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.105 -3.362 -4.078 1.00 0.00 C ATOM 0 H LEU A 31 5.349 -4.436 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 31 5.040 -2.597 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.982 -2.223 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.461 -1.428 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 31 3.083 -4.394 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.784 -3.878 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.993 -3.221 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.171 -2.141 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.303 -4.095 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.711 -2.367 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.893 -3.597 -4.794 1.00 0.00 H new ATOM 424 N SER A 32 7.133 -1.428 -3.557 1.00 0.00 N ATOM 425 CA SER A 32 8.243 -0.557 -3.189 1.00 0.00 C ATOM 426 C SER A 32 7.856 0.911 -3.347 1.00 0.00 C ATOM 427 O SER A 32 7.024 1.258 -4.186 1.00 0.00 O ATOM 428 CB SER A 32 9.470 -0.868 -4.048 1.00 0.00 C ATOM 429 OG SER A 32 10.450 0.148 -3.925 1.00 0.00 O ATOM 0 H SER A 32 7.112 -1.690 -4.543 1.00 0.00 H new ATOM 0 HA SER A 32 8.486 -0.741 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.895 -1.826 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.172 -0.965 -5.092 1.00 0.00 H new ATOM 0 HG SER A 32 11.225 -0.075 -4.482 1.00 0.00 H new ATOM 435 N CYS A 33 8.466 1.767 -2.535 1.00 0.00 N ATOM 436 CA CYS A 33 8.186 3.198 -2.582 1.00 0.00 C ATOM 437 C CYS A 33 9.312 3.994 -1.931 1.00 0.00 C ATOM 438 O CYS A 33 9.668 3.753 -0.778 1.00 0.00 O ATOM 439 CB CYS A 33 6.860 3.503 -1.885 1.00 0.00 C ATOM 440 SG CYS A 33 6.652 2.666 -0.295 1.00 0.00 S ATOM 0 H CYS A 33 9.158 1.495 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 33 8.114 3.495 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.782 4.579 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.041 3.216 -2.544 1.00 0.00 H new ATOM 0 HG CYS A 33 7.119 1.456 -0.377 1.00 0.00 H new ATOM 446 N GLU A 34 9.869 4.942 -2.678 1.00 0.00 N ATOM 447 CA GLU A 34 10.957 5.771 -2.173 1.00 0.00 C ATOM 448 C GLU A 34 10.457 6.726 -1.092 1.00 0.00 C ATOM 449 O GLU A 34 9.256 6.974 -0.974 1.00 0.00 O ATOM 450 CB GLU A 34 11.595 6.566 -3.315 1.00 0.00 C ATOM 451 CG GLU A 34 12.208 5.692 -4.396 1.00 0.00 C ATOM 452 CD GLU A 34 12.992 6.492 -5.417 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.189 6.754 -5.173 1.00 0.00 O ATOM 454 OE2 GLU A 34 12.411 6.856 -6.461 1.00 0.00 O ATOM 0 H GLU A 34 9.585 5.155 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 34 11.707 5.113 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.839 7.210 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.367 7.218 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.866 4.956 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.417 5.139 -4.903 1.00 0.00 H new ATOM 461 N VAL A 35 11.386 7.258 -0.304 1.00 0.00 N ATOM 462 CA VAL A 35 11.040 8.185 0.767 1.00 0.00 C ATOM 463 C VAL A 35 12.056 9.317 0.861 1.00 0.00 C ATOM 464 O VAL A 35 13.237 9.132 0.568 1.00 0.00 O ATOM 465 CB VAL A 35 10.960 7.467 2.127 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.606 6.796 2.297 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.087 6.453 2.261 1.00 0.00 C ATOM 0 H VAL A 35 12.384 7.063 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 35 10.061 8.598 0.525 1.00 0.00 H new ATOM 0 HB VAL A 35 11.073 8.209 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.568 6.294 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.818 7.548 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.460 6.065 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.015 5.955 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.007 5.713 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.047 6.964 2.186 1.00 0.00 H new ATOM 477 N ALA A 36 11.589 10.491 1.274 1.00 0.00 N ATOM 478 CA ALA A 36 12.457 11.654 1.410 1.00 0.00 C ATOM 479 C ALA A 36 13.428 11.481 2.573 1.00 0.00 C ATOM 480 O ALA A 36 14.489 12.103 2.605 1.00 0.00 O ATOM 481 CB ALA A 36 11.626 12.914 1.597 1.00 0.00 C ATOM 0 H ALA A 36 10.614 10.662 1.520 1.00 0.00 H new ATOM 0 HA ALA A 36 13.041 11.750 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.287 13.775 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.977 13.054 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.017 12.818 2.496 1.00 0.00 H new ATOM 487 N GLN A 37 13.056 10.634 3.527 1.00 0.00 N ATOM 488 CA GLN A 37 13.894 10.381 4.693 1.00 0.00 C ATOM 489 C GLN A 37 13.793 8.924 5.131 1.00 0.00 C ATOM 490 O GLN A 37 12.703 8.355 5.181 1.00 0.00 O ATOM 491 CB GLN A 37 13.491 11.302 5.847 1.00 0.00 C ATOM 492 CG GLN A 37 13.517 12.778 5.484 1.00 0.00 C ATOM 493 CD GLN A 37 12.716 13.629 6.449 1.00 0.00 C ATOM 494 OE1 GLN A 37 12.781 13.440 7.664 1.00 0.00 O ATOM 495 NE2 GLN A 37 11.954 14.575 5.912 1.00 0.00 N ATOM 0 H GLN A 37 12.180 10.111 3.516 1.00 0.00 H new ATOM 0 HA GLN A 37 14.928 10.587 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.488 11.036 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.162 11.131 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.550 13.127 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.122 12.908 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.930 14.697 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.393 15.180 6.512 1.00 0.00 H new ATOM 504 N ALA A 38 14.937 8.325 5.448 1.00 0.00 N ATOM 505 CA ALA A 38 14.976 6.935 5.883 1.00 0.00 C ATOM 506 C ALA A 38 14.484 6.795 7.320 1.00 0.00 C ATOM 507 O ALA A 38 13.512 6.089 7.586 1.00 0.00 O ATOM 508 CB ALA A 38 16.387 6.380 5.750 1.00 0.00 C ATOM 0 H ALA A 38 15.849 8.781 5.411 1.00 0.00 H new ATOM 0 HA ALA A 38 14.309 6.360 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.402 5.341 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.703 6.436 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.068 6.965 6.368 1.00 0.00 H new ATOM 514 N GLN A 39 15.162 7.471 8.241 1.00 0.00 N ATOM 515 CA GLN A 39 14.794 7.420 9.651 1.00 0.00 C ATOM 516 C GLN A 39 13.280 7.505 9.821 1.00 0.00 C ATOM 517 O GLN A 39 12.730 7.039 10.819 1.00 0.00 O ATOM 518 CB GLN A 39 15.469 8.558 10.418 1.00 0.00 C ATOM 519 CG GLN A 39 15.093 9.941 9.911 1.00 0.00 C ATOM 520 CD GLN A 39 15.721 11.053 10.728 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.800 11.547 10.400 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.047 11.454 11.800 1.00 0.00 N ATOM 0 H GLN A 39 15.969 8.060 8.037 1.00 0.00 H new ATOM 0 HA GLN A 39 15.135 6.467 10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.203 8.482 11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.550 8.438 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.404 10.039 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.009 10.049 9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.156 11.017 12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.420 12.199 12.388 1.00 0.00 H new ATOM 531 N THR A 40 12.612 8.103 8.840 1.00 0.00 N ATOM 532 CA THR A 40 11.162 8.250 8.882 1.00 0.00 C ATOM 533 C THR A 40 10.470 6.895 8.805 1.00 0.00 C ATOM 534 O THR A 40 10.780 6.078 7.939 1.00 0.00 O ATOM 535 CB THR A 40 10.654 9.140 7.732 1.00 0.00 C ATOM 536 OG1 THR A 40 10.922 10.516 8.022 1.00 0.00 O ATOM 537 CG2 THR A 40 9.162 8.943 7.514 1.00 0.00 C ATOM 0 H THR A 40 13.052 8.493 8.007 1.00 0.00 H new ATOM 0 HA THR A 40 10.920 8.725 9.833 1.00 0.00 H new ATOM 0 HB THR A 40 11.179 8.853 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.598 11.075 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.826 9.582 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.965 7.900 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.623 9.205 8.425 1.00 0.00 H new ATOM 545 N GLU A 41 9.530 6.662 9.716 1.00 0.00 N ATOM 546 CA GLU A 41 8.794 5.404 9.750 1.00 0.00 C ATOM 547 C GLU A 41 7.531 5.490 8.898 1.00 0.00 C ATOM 548 O GLU A 41 6.969 6.568 8.707 1.00 0.00 O ATOM 549 CB GLU A 41 8.426 5.041 11.190 1.00 0.00 C ATOM 550 CG GLU A 41 9.493 4.229 11.905 1.00 0.00 C ATOM 551 CD GLU A 41 8.930 3.396 13.040 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.709 3.957 14.133 1.00 0.00 O ATOM 553 OE2 GLU A 41 8.711 2.184 12.835 1.00 0.00 O ATOM 0 H GLU A 41 9.261 7.328 10.440 1.00 0.00 H new ATOM 0 HA GLU A 41 9.437 4.625 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.242 5.957 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.493 4.477 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.986 3.573 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.255 4.903 12.297 1.00 0.00 H new ATOM 560 N VAL A 42 7.091 4.345 8.386 1.00 0.00 N ATOM 561 CA VAL A 42 5.894 4.289 7.554 1.00 0.00 C ATOM 562 C VAL A 42 4.917 3.237 8.067 1.00 0.00 C ATOM 563 O VAL A 42 5.218 2.498 9.005 1.00 0.00 O ATOM 564 CB VAL A 42 6.245 3.975 6.088 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.501 4.723 5.667 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.415 2.476 5.890 1.00 0.00 C ATOM 0 H VAL A 42 7.545 3.444 8.533 1.00 0.00 H new ATOM 0 HA VAL A 42 5.426 5.272 7.606 1.00 0.00 H new ATOM 0 HB VAL A 42 5.423 4.311 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.733 4.488 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.337 5.796 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.334 4.421 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.663 2.272 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.218 2.113 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.486 1.967 6.148 1.00 0.00 H new ATOM 576 N THR A 43 3.743 3.175 7.446 1.00 0.00 N ATOM 577 CA THR A 43 2.720 2.215 7.839 1.00 0.00 C ATOM 578 C THR A 43 1.709 1.998 6.719 1.00 0.00 C ATOM 579 O THR A 43 0.950 2.903 6.372 1.00 0.00 O ATOM 580 CB THR A 43 1.975 2.676 9.106 1.00 0.00 C ATOM 581 OG1 THR A 43 2.915 3.014 10.132 1.00 0.00 O ATOM 582 CG2 THR A 43 1.037 1.588 9.609 1.00 0.00 C ATOM 0 H THR A 43 3.478 3.779 6.668 1.00 0.00 H new ATOM 0 HA THR A 43 3.232 1.276 8.048 1.00 0.00 H new ATOM 0 HB THR A 43 1.383 3.555 8.852 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.755 2.534 9.977 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.522 1.937 10.504 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.304 1.354 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.612 0.693 9.847 1.00 0.00 H new ATOM 590 N TRP A 44 1.704 0.795 6.158 1.00 0.00 N ATOM 591 CA TRP A 44 0.785 0.460 5.076 1.00 0.00 C ATOM 592 C TRP A 44 -0.650 0.376 5.587 1.00 0.00 C ATOM 593 O TRP A 44 -0.884 0.127 6.770 1.00 0.00 O ATOM 594 CB TRP A 44 1.187 -0.867 4.430 1.00 0.00 C ATOM 595 CG TRP A 44 2.540 -0.829 3.788 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.742 -1.055 4.395 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.830 -0.544 2.415 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.762 -0.929 3.483 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.228 -0.617 2.260 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.044 -0.238 1.301 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.854 -0.393 1.037 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.667 -0.015 0.087 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.060 -0.095 -0.037 1.00 0.00 C ATOM 0 H TRP A 44 2.326 0.035 6.434 1.00 0.00 H new ATOM 0 HA TRP A 44 0.840 1.251 4.328 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.174 -1.650 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.444 -1.137 3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.872 -1.297 5.439 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.755 -1.048 3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.969 -0.177 1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.928 -0.452 0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.070 0.225 -0.780 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.517 0.082 -1.000 1.00 0.00 H new ATOM 614 N TYR A 45 -1.606 0.587 4.690 1.00 0.00 N ATOM 615 CA TYR A 45 -3.018 0.537 5.051 1.00 0.00 C ATOM 616 C TYR A 45 -3.853 -0.030 3.908 1.00 0.00 C ATOM 617 O TYR A 45 -3.813 0.472 2.784 1.00 0.00 O ATOM 618 CB TYR A 45 -3.520 1.934 5.420 1.00 0.00 C ATOM 619 CG TYR A 45 -2.978 2.444 6.736 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.535 2.039 7.943 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.910 3.332 6.773 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.044 2.503 9.148 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.411 3.800 7.973 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.981 3.383 9.158 1.00 0.00 C ATOM 625 OH TYR A 45 -1.488 3.848 10.355 1.00 0.00 O ATOM 0 H TYR A 45 -1.429 0.794 3.707 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.124 -0.120 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.244 2.631 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.609 1.919 5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.366 1.349 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.462 3.662 5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.489 2.179 10.077 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.579 4.489 7.983 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.740 4.458 10.186 1.00 0.00 H new ATOM 635 N LYS A 46 -4.611 -1.081 4.203 1.00 0.00 N ATOM 636 CA LYS A 46 -5.459 -1.718 3.202 1.00 0.00 C ATOM 637 C LYS A 46 -6.919 -1.318 3.392 1.00 0.00 C ATOM 638 O LYS A 46 -7.509 -1.568 4.443 1.00 0.00 O ATOM 639 CB LYS A 46 -5.322 -3.240 3.282 1.00 0.00 C ATOM 640 CG LYS A 46 -5.712 -3.954 2.000 1.00 0.00 C ATOM 641 CD LYS A 46 -5.496 -5.454 2.109 1.00 0.00 C ATOM 642 CE LYS A 46 -6.046 -6.187 0.894 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.525 -6.051 0.788 1.00 0.00 N ATOM 0 H LYS A 46 -4.655 -1.510 5.127 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.133 -1.381 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.290 -3.491 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.943 -3.610 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.759 -3.752 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.125 -3.560 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.431 -5.663 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.981 -5.828 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.579 -5.794 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.782 -7.243 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.939 -6.966 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.913 -5.752 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.757 -5.340 0.065 1.00 0.00 H new ATOM 657 N ASP A 47 -7.495 -0.697 2.368 1.00 0.00 N ATOM 658 CA ASP A 47 -8.887 -0.265 2.422 1.00 0.00 C ATOM 659 C ASP A 47 -9.198 0.402 3.758 1.00 0.00 C ATOM 660 O ASP A 47 -10.259 0.182 4.341 1.00 0.00 O ATOM 661 CB ASP A 47 -9.821 -1.456 2.202 1.00 0.00 C ATOM 662 CG ASP A 47 -11.278 -1.043 2.131 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.561 0.041 1.579 1.00 0.00 O ATOM 664 OD2 ASP A 47 -12.136 -1.803 2.629 1.00 0.00 O ATOM 0 H ASP A 47 -7.020 -0.482 1.491 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.047 0.464 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.545 -1.965 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.688 -2.173 3.013 1.00 0.00 H new ATOM 669 N GLY A 48 -8.264 1.217 4.238 1.00 0.00 N ATOM 670 CA GLY A 48 -8.457 1.902 5.503 1.00 0.00 C ATOM 671 C GLY A 48 -8.320 0.973 6.693 1.00 0.00 C ATOM 672 O GLY A 48 -9.038 1.111 7.684 1.00 0.00 O ATOM 0 H GLY A 48 -7.378 1.415 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.729 2.709 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.445 2.361 5.517 1.00 0.00 H new ATOM 676 N LYS A 49 -7.397 0.022 6.595 1.00 0.00 N ATOM 677 CA LYS A 49 -7.168 -0.935 7.671 1.00 0.00 C ATOM 678 C LYS A 49 -5.676 -1.103 7.941 1.00 0.00 C ATOM 679 O LYS A 49 -4.924 -1.548 7.073 1.00 0.00 O ATOM 680 CB LYS A 49 -7.789 -2.288 7.319 1.00 0.00 C ATOM 681 CG LYS A 49 -9.276 -2.215 7.015 1.00 0.00 C ATOM 682 CD LYS A 49 -10.112 -2.472 8.257 1.00 0.00 C ATOM 683 CE LYS A 49 -10.456 -1.177 8.976 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.931 -1.423 10.366 1.00 0.00 N ATOM 0 H LYS A 49 -6.795 -0.106 5.781 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.642 -0.549 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.270 -2.703 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.630 -2.978 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.518 -1.232 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.528 -2.947 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.030 -2.989 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.568 -3.131 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.578 -0.531 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.227 -0.645 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.155 -0.516 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.784 -2.018 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.186 -1.908 10.907 1.00 0.00 H new ATOM 698 N LYS A 50 -5.254 -0.746 9.149 1.00 0.00 N ATOM 699 CA LYS A 50 -3.852 -0.859 9.535 1.00 0.00 C ATOM 700 C LYS A 50 -3.329 -2.269 9.276 1.00 0.00 C ATOM 701 O LYS A 50 -3.849 -3.244 9.819 1.00 0.00 O ATOM 702 CB LYS A 50 -3.678 -0.503 11.013 1.00 0.00 C ATOM 703 CG LYS A 50 -2.269 -0.065 11.371 1.00 0.00 C ATOM 704 CD LYS A 50 -2.205 0.515 12.774 1.00 0.00 C ATOM 705 CE LYS A 50 -0.782 0.891 13.157 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.720 1.538 14.497 1.00 0.00 N ATOM 0 H LYS A 50 -5.863 -0.376 9.878 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.277 -0.159 8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.374 0.295 11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.946 -1.368 11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.592 -0.916 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.925 0.679 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.844 1.396 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.595 -0.211 13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.158 -0.002 13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.371 1.568 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.267 1.779 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.295 2.404 14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.088 0.883 15.216 1.00 0.00 H new ATOM 720 N LEU A 51 -2.298 -2.368 8.445 1.00 0.00 N ATOM 721 CA LEU A 51 -1.703 -3.659 8.115 1.00 0.00 C ATOM 722 C LEU A 51 -0.714 -4.094 9.192 1.00 0.00 C ATOM 723 O LEU A 51 -0.098 -3.261 9.856 1.00 0.00 O ATOM 724 CB LEU A 51 -0.998 -3.587 6.759 1.00 0.00 C ATOM 725 CG LEU A 51 -1.902 -3.665 5.528 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.227 -3.018 4.329 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.263 -5.112 5.223 1.00 0.00 C ATOM 0 H LEU A 51 -1.856 -1.571 7.987 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.503 -4.397 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.435 -2.655 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.273 -4.399 6.705 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.821 -3.119 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.885 -3.083 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.019 -1.971 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.292 -3.536 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.907 -5.149 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.353 -5.681 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.788 -5.544 6.075 1.00 0.00 H new ATOM 739 N SER A 52 -0.567 -5.405 9.359 1.00 0.00 N ATOM 740 CA SER A 52 0.345 -5.951 10.356 1.00 0.00 C ATOM 741 C SER A 52 1.250 -7.013 9.740 1.00 0.00 C ATOM 742 O SER A 52 0.851 -8.166 9.577 1.00 0.00 O ATOM 743 CB SER A 52 -0.441 -6.550 11.524 1.00 0.00 C ATOM 744 OG SER A 52 0.427 -7.160 12.464 1.00 0.00 O ATOM 0 H SER A 52 -1.068 -6.108 8.816 1.00 0.00 H new ATOM 0 HA SER A 52 0.968 -5.137 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.022 -5.769 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.151 -7.287 11.149 1.00 0.00 H new ATOM 0 HG SER A 52 -0.100 -7.534 13.201 1.00 0.00 H new ATOM 750 N SER A 53 2.473 -6.616 9.401 1.00 0.00 N ATOM 751 CA SER A 53 3.435 -7.532 8.799 1.00 0.00 C ATOM 752 C SER A 53 3.366 -8.904 9.462 1.00 0.00 C ATOM 753 O SER A 53 4.012 -9.146 10.481 1.00 0.00 O ATOM 754 CB SER A 53 4.851 -6.966 8.916 1.00 0.00 C ATOM 755 OG SER A 53 5.225 -6.805 10.274 1.00 0.00 O ATOM 0 H SER A 53 2.821 -5.666 9.533 1.00 0.00 H new ATOM 0 HA SER A 53 3.183 -7.645 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.555 -7.633 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.906 -6.005 8.404 1.00 0.00 H new ATOM 0 HG SER A 53 4.904 -7.570 10.795 1.00 0.00 H new ATOM 761 N SER A 54 2.578 -9.799 8.875 1.00 0.00 N ATOM 762 CA SER A 54 2.421 -11.147 9.410 1.00 0.00 C ATOM 763 C SER A 54 3.131 -12.168 8.527 1.00 0.00 C ATOM 764 O SER A 54 3.659 -11.828 7.468 1.00 0.00 O ATOM 765 CB SER A 54 0.938 -11.502 9.528 1.00 0.00 C ATOM 766 OG SER A 54 0.385 -10.990 10.729 1.00 0.00 O ATOM 0 H SER A 54 2.038 -9.615 8.029 1.00 0.00 H new ATOM 0 HA SER A 54 2.874 -11.173 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.395 -11.099 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.817 -12.585 9.501 1.00 0.00 H new ATOM 0 HG SER A 54 0.397 -10.010 10.703 1.00 0.00 H new ATOM 772 N SER A 55 3.139 -13.421 8.970 1.00 0.00 N ATOM 773 CA SER A 55 3.787 -14.492 8.223 1.00 0.00 C ATOM 774 C SER A 55 3.520 -14.350 6.728 1.00 0.00 C ATOM 775 O SER A 55 4.337 -14.750 5.898 1.00 0.00 O ATOM 776 CB SER A 55 3.295 -15.855 8.714 1.00 0.00 C ATOM 777 OG SER A 55 3.749 -16.118 10.030 1.00 0.00 O ATOM 0 H SER A 55 2.704 -13.719 9.843 1.00 0.00 H new ATOM 0 HA SER A 55 4.862 -14.420 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.206 -15.882 8.690 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.648 -16.636 8.041 1.00 0.00 H new ATOM 0 HG SER A 55 3.420 -16.994 10.321 1.00 0.00 H new ATOM 783 N LYS A 56 2.370 -13.778 6.391 1.00 0.00 N ATOM 784 CA LYS A 56 1.993 -13.580 4.996 1.00 0.00 C ATOM 785 C LYS A 56 2.666 -12.338 4.421 1.00 0.00 C ATOM 786 O LYS A 56 3.530 -12.435 3.550 1.00 0.00 O ATOM 787 CB LYS A 56 0.473 -13.454 4.870 1.00 0.00 C ATOM 788 CG LYS A 56 -0.250 -14.790 4.860 1.00 0.00 C ATOM 789 CD LYS A 56 -1.751 -14.614 5.017 1.00 0.00 C ATOM 790 CE LYS A 56 -2.515 -15.785 4.419 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.959 -15.747 4.780 1.00 0.00 N ATOM 0 H LYS A 56 1.682 -13.443 7.065 1.00 0.00 H new ATOM 0 HA LYS A 56 2.328 -14.448 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.097 -12.853 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.236 -12.916 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.040 -15.311 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.130 -15.416 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.999 -14.519 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.063 -13.689 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.411 -15.770 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.078 -16.720 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.445 -16.562 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.059 -15.787 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.383 -14.866 4.425 1.00 0.00 H new ATOM 805 N VAL A 57 2.265 -11.171 4.915 1.00 0.00 N ATOM 806 CA VAL A 57 2.831 -9.910 4.451 1.00 0.00 C ATOM 807 C VAL A 57 3.924 -9.419 5.394 1.00 0.00 C ATOM 808 O VAL A 57 3.757 -9.428 6.614 1.00 0.00 O ATOM 809 CB VAL A 57 1.749 -8.821 4.327 1.00 0.00 C ATOM 810 CG1 VAL A 57 0.953 -8.709 5.618 1.00 0.00 C ATOM 811 CG2 VAL A 57 2.378 -7.485 3.962 1.00 0.00 C ATOM 0 H VAL A 57 1.551 -11.073 5.636 1.00 0.00 H new ATOM 0 HA VAL A 57 3.261 -10.099 3.467 1.00 0.00 H new ATOM 0 HB VAL A 57 1.063 -9.104 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.193 -7.935 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.471 -9.663 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.623 -8.449 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.599 -6.727 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.087 -7.193 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.899 -7.576 3.009 1.00 0.00 H new ATOM 821 N ARG A 58 5.044 -8.992 4.821 1.00 0.00 N ATOM 822 CA ARG A 58 6.166 -8.498 5.610 1.00 0.00 C ATOM 823 C ARG A 58 6.573 -7.097 5.160 1.00 0.00 C ATOM 824 O ARG A 58 6.763 -6.847 3.970 1.00 0.00 O ATOM 825 CB ARG A 58 7.359 -9.449 5.491 1.00 0.00 C ATOM 826 CG ARG A 58 8.675 -8.835 5.941 1.00 0.00 C ATOM 827 CD ARG A 58 9.699 -9.905 6.285 1.00 0.00 C ATOM 828 NE ARG A 58 10.640 -9.453 7.307 1.00 0.00 N ATOM 829 CZ ARG A 58 11.720 -10.138 7.666 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.994 -11.300 7.089 1.00 0.00 N ATOM 831 NH2 ARG A 58 12.529 -9.660 8.603 1.00 0.00 N ATOM 0 H ARG A 58 5.199 -8.978 3.813 1.00 0.00 H new ATOM 0 HA ARG A 58 5.851 -8.449 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.162 -10.341 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.454 -9.771 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.068 -8.194 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.503 -8.201 6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.185 -10.800 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.247 -10.185 5.385 1.00 0.00 H new ATOM 0 HE ARG A 58 10.458 -8.563 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.375 -11.670 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.824 -11.824 7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.322 -8.766 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.358 -10.187 8.878 1.00 0.00 H new ATOM 845 N VAL A 59 6.703 -6.188 6.121 1.00 0.00 N ATOM 846 CA VAL A 59 7.086 -4.813 5.824 1.00 0.00 C ATOM 847 C VAL A 59 8.594 -4.624 5.948 1.00 0.00 C ATOM 848 O VAL A 59 9.140 -4.619 7.051 1.00 0.00 O ATOM 849 CB VAL A 59 6.377 -3.817 6.762 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.780 -2.389 6.428 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.868 -3.988 6.675 1.00 0.00 C ATOM 0 H VAL A 59 6.549 -6.379 7.111 1.00 0.00 H new ATOM 0 HA VAL A 59 6.780 -4.614 4.797 1.00 0.00 H new ATOM 0 HB VAL A 59 6.686 -4.025 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.269 -1.700 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.858 -2.278 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.502 -2.164 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.382 -3.277 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.540 -3.806 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.599 -5.003 6.967 1.00 0.00 H new ATOM 861 N GLU A 60 9.261 -4.468 4.809 1.00 0.00 N ATOM 862 CA GLU A 60 10.707 -4.279 4.791 1.00 0.00 C ATOM 863 C GLU A 60 11.061 -2.797 4.715 1.00 0.00 C ATOM 864 O GLU A 60 10.382 -2.019 4.047 1.00 0.00 O ATOM 865 CB GLU A 60 11.326 -5.023 3.606 1.00 0.00 C ATOM 866 CG GLU A 60 11.727 -6.453 3.927 1.00 0.00 C ATOM 867 CD GLU A 60 13.147 -6.558 4.448 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.437 -5.957 5.504 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.968 -7.241 3.801 1.00 0.00 O ATOM 0 H GLU A 60 8.824 -4.469 3.887 1.00 0.00 H new ATOM 0 HA GLU A 60 11.112 -4.685 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.614 -5.031 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.205 -4.476 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.041 -6.861 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.627 -7.064 3.030 1.00 0.00 H new ATOM 876 N ALA A 61 12.129 -2.414 5.407 1.00 0.00 N ATOM 877 CA ALA A 61 12.575 -1.026 5.418 1.00 0.00 C ATOM 878 C ALA A 61 14.074 -0.929 5.157 1.00 0.00 C ATOM 879 O ALA A 61 14.880 -0.959 6.087 1.00 0.00 O ATOM 880 CB ALA A 61 12.225 -0.370 6.745 1.00 0.00 C ATOM 0 H ALA A 61 12.701 -3.045 5.967 1.00 0.00 H new ATOM 0 HA ALA A 61 12.058 -0.498 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.564 0.666 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.145 -0.398 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.715 -0.907 7.557 1.00 0.00 H new ATOM 886 N VAL A 62 14.442 -0.813 3.885 1.00 0.00 N ATOM 887 CA VAL A 62 15.845 -0.711 3.501 1.00 0.00 C ATOM 888 C VAL A 62 16.206 0.717 3.110 1.00 0.00 C ATOM 889 O VAL A 62 15.360 1.610 3.131 1.00 0.00 O ATOM 890 CB VAL A 62 16.176 -1.652 2.328 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.391 -3.073 2.826 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.072 -1.607 1.282 1.00 0.00 C ATOM 0 H VAL A 62 13.788 -0.787 3.103 1.00 0.00 H new ATOM 0 HA VAL A 62 16.433 -1.006 4.370 1.00 0.00 H new ATOM 0 HB VAL A 62 17.101 -1.312 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.624 -3.723 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.218 -3.089 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.485 -3.427 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.322 -2.278 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.131 -1.921 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.971 -0.590 0.903 1.00 0.00 H new ATOM 902 N GLY A 63 17.469 0.926 2.753 1.00 0.00 N ATOM 903 CA GLY A 63 17.920 2.249 2.361 1.00 0.00 C ATOM 904 C GLY A 63 16.850 3.033 1.628 1.00 0.00 C ATOM 905 O GLY A 63 16.579 2.779 0.454 1.00 0.00 O ATOM 0 H GLY A 63 18.188 0.203 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.228 2.802 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.799 2.156 1.723 1.00 0.00 H new ATOM 909 N CYS A 64 16.239 3.987 2.321 1.00 0.00 N ATOM 910 CA CYS A 64 15.190 4.810 1.730 1.00 0.00 C ATOM 911 C CYS A 64 14.361 4.002 0.736 1.00 0.00 C ATOM 912 O CYS A 64 14.210 4.390 -0.423 1.00 0.00 O ATOM 913 CB CYS A 64 15.799 6.028 1.034 1.00 0.00 C ATOM 914 SG CYS A 64 16.873 7.024 2.094 1.00 0.00 S ATOM 0 H CYS A 64 16.452 4.210 3.293 1.00 0.00 H new ATOM 0 HA CYS A 64 14.534 5.150 2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.371 5.691 0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.993 6.658 0.657 1.00 0.00 H new ATOM 0 HG CYS A 64 17.341 8.029 1.415 1.00 0.00 H new ATOM 920 N THR A 65 13.828 2.875 1.196 1.00 0.00 N ATOM 921 CA THR A 65 13.017 2.011 0.347 1.00 0.00 C ATOM 922 C THR A 65 12.084 1.140 1.181 1.00 0.00 C ATOM 923 O THR A 65 12.526 0.212 1.859 1.00 0.00 O ATOM 924 CB THR A 65 13.897 1.103 -0.533 1.00 0.00 C ATOM 925 OG1 THR A 65 14.436 1.855 -1.626 1.00 0.00 O ATOM 926 CG2 THR A 65 13.096 -0.074 -1.067 1.00 0.00 C ATOM 0 H THR A 65 13.943 2.539 2.152 1.00 0.00 H new ATOM 0 HA THR A 65 12.425 2.664 -0.294 1.00 0.00 H new ATOM 0 HB THR A 65 14.712 0.719 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.311 2.812 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.739 -0.701 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.711 -0.661 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.263 0.294 -1.666 1.00 0.00 H new ATOM 934 N ARG A 66 10.792 1.445 1.126 1.00 0.00 N ATOM 935 CA ARG A 66 9.796 0.690 1.877 1.00 0.00 C ATOM 936 C ARG A 66 9.044 -0.275 0.965 1.00 0.00 C ATOM 937 O ARG A 66 8.088 0.109 0.292 1.00 0.00 O ATOM 938 CB ARG A 66 8.809 1.641 2.556 1.00 0.00 C ATOM 939 CG ARG A 66 9.477 2.691 3.429 1.00 0.00 C ATOM 940 CD ARG A 66 10.038 2.080 4.704 1.00 0.00 C ATOM 941 NE ARG A 66 10.753 3.064 5.513 1.00 0.00 N ATOM 942 CZ ARG A 66 12.028 3.383 5.325 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.725 2.800 4.359 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.609 4.288 6.102 1.00 0.00 N ATOM 0 H ARG A 66 10.410 2.210 0.569 1.00 0.00 H new ATOM 0 HA ARG A 66 10.315 0.111 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.215 2.141 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.118 1.059 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.280 3.173 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.755 3.467 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.224 1.652 5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.712 1.262 4.448 1.00 0.00 H new ATOM 0 HE ARG A 66 10.245 3.532 6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.282 2.105 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.704 3.047 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.076 4.740 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.589 4.532 5.956 1.00 0.00 H new ATOM 958 N ARG A 67 9.483 -1.529 0.949 1.00 0.00 N ATOM 959 CA ARG A 67 8.853 -2.549 0.119 1.00 0.00 C ATOM 960 C ARG A 67 7.993 -3.483 0.964 1.00 0.00 C ATOM 961 O ARG A 67 8.410 -3.931 2.034 1.00 0.00 O ATOM 962 CB ARG A 67 9.916 -3.355 -0.631 1.00 0.00 C ATOM 963 CG ARG A 67 10.703 -4.302 0.260 1.00 0.00 C ATOM 964 CD ARG A 67 11.828 -4.981 -0.506 1.00 0.00 C ATOM 965 NE ARG A 67 12.940 -5.348 0.366 1.00 0.00 N ATOM 966 CZ ARG A 67 14.081 -5.864 -0.076 1.00 0.00 C ATOM 967 NH1 ARG A 67 14.261 -6.071 -1.373 1.00 0.00 N ATOM 968 NH2 ARG A 67 15.047 -6.173 0.781 1.00 0.00 N ATOM 0 H ARG A 67 10.273 -1.863 1.501 1.00 0.00 H new ATOM 0 HA ARG A 67 8.210 -2.047 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.433 -3.930 -1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.608 -2.666 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.117 -3.750 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.033 -5.057 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.444 -5.874 -0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.187 -4.314 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 67 12.835 -5.200 1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.522 -5.834 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.139 -6.467 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.913 -6.014 1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.923 -6.569 0.441 1.00 0.00 H new ATOM 982 N LEU A 68 6.791 -3.774 0.479 1.00 0.00 N ATOM 983 CA LEU A 68 5.872 -4.655 1.190 1.00 0.00 C ATOM 984 C LEU A 68 5.738 -5.995 0.474 1.00 0.00 C ATOM 985 O LEU A 68 5.043 -6.105 -0.537 1.00 0.00 O ATOM 986 CB LEU A 68 4.498 -3.994 1.319 1.00 0.00 C ATOM 987 CG LEU A 68 3.490 -4.711 2.218 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.629 -4.241 3.657 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.072 -4.485 1.715 1.00 0.00 C ATOM 0 H LEU A 68 6.430 -3.413 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 68 6.278 -4.835 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.638 -2.982 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.066 -3.903 0.323 1.00 0.00 H new ATOM 0 HG LEU A 68 3.699 -5.780 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.904 -4.762 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.636 -4.456 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.447 -3.168 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.368 -5.002 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.851 -3.418 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.980 -4.873 0.701 1.00 0.00 H new ATOM 1001 N VAL A 69 6.408 -7.014 1.005 1.00 0.00 N ATOM 1002 CA VAL A 69 6.361 -8.348 0.418 1.00 0.00 C ATOM 1003 C VAL A 69 5.144 -9.123 0.911 1.00 0.00 C ATOM 1004 O VAL A 69 5.065 -9.498 2.080 1.00 0.00 O ATOM 1005 CB VAL A 69 7.634 -9.150 0.747 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.583 -10.524 0.097 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.874 -8.388 0.303 1.00 0.00 C ATOM 0 H VAL A 69 6.989 -6.941 1.840 1.00 0.00 H new ATOM 0 HA VAL A 69 6.291 -8.217 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 69 7.686 -9.287 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.491 -11.076 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.716 -11.070 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.506 -10.412 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.764 -8.970 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.831 -8.218 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.916 -7.429 0.820 1.00 0.00 H new ATOM 1017 N VAL A 70 4.196 -9.359 0.010 1.00 0.00 N ATOM 1018 CA VAL A 70 2.982 -10.091 0.352 1.00 0.00 C ATOM 1019 C VAL A 70 3.069 -11.543 -0.106 1.00 0.00 C ATOM 1020 O VAL A 70 2.935 -11.838 -1.294 1.00 0.00 O ATOM 1021 CB VAL A 70 1.737 -9.439 -0.278 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.487 -10.238 0.058 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.599 -7.997 0.186 1.00 0.00 C ATOM 0 H VAL A 70 4.245 -9.054 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 70 2.889 -10.060 1.438 1.00 0.00 H new ATOM 0 HB VAL A 70 1.858 -9.438 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.382 -9.762 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.588 -11.252 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.358 -10.274 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.714 -7.552 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.501 -7.972 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.483 -7.433 -0.112 1.00 0.00 H new ATOM 1033 N GLN A 71 3.293 -12.445 0.844 1.00 0.00 N ATOM 1034 CA GLN A 71 3.397 -13.867 0.537 1.00 0.00 C ATOM 1035 C GLN A 71 2.030 -14.453 0.202 1.00 0.00 C ATOM 1036 O GLN A 71 1.010 -14.016 0.735 1.00 0.00 O ATOM 1037 CB GLN A 71 4.014 -14.621 1.717 1.00 0.00 C ATOM 1038 CG GLN A 71 5.433 -14.184 2.043 1.00 0.00 C ATOM 1039 CD GLN A 71 6.262 -15.300 2.648 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.728 -16.216 3.274 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.575 -15.228 2.464 1.00 0.00 N ATOM 0 H GLN A 71 3.406 -12.217 1.832 1.00 0.00 H new ATOM 0 HA GLN A 71 4.043 -13.979 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.387 -14.477 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.013 -15.688 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.918 -13.828 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.400 -13.344 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.974 -14.450 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.184 -15.950 2.848 1.00 0.00 H new ATOM 1050 N GLN A 72 2.017 -15.444 -0.683 1.00 0.00 N ATOM 1051 CA GLN A 72 0.774 -16.089 -1.089 1.00 0.00 C ATOM 1052 C GLN A 72 -0.290 -15.052 -1.434 1.00 0.00 C ATOM 1053 O GLN A 72 -1.418 -15.121 -0.947 1.00 0.00 O ATOM 1054 CB GLN A 72 0.265 -17.009 0.022 1.00 0.00 C ATOM 1055 CG GLN A 72 0.921 -18.381 0.024 1.00 0.00 C ATOM 1056 CD GLN A 72 0.557 -19.200 1.247 1.00 0.00 C ATOM 1057 OE1 GLN A 72 1.100 -18.992 2.332 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -0.368 -20.137 1.078 1.00 0.00 N ATOM 0 H GLN A 72 2.853 -15.818 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 72 0.977 -16.684 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.438 -16.531 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.813 -17.131 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.623 -18.923 -0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.004 -18.262 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.792 -20.275 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.655 -20.719 1.865 1.00 0.00 H new ATOM 1067 N ALA A 73 0.077 -14.093 -2.277 1.00 0.00 N ATOM 1068 CA ALA A 73 -0.847 -13.042 -2.688 1.00 0.00 C ATOM 1069 C ALA A 73 -2.139 -13.633 -3.241 1.00 0.00 C ATOM 1070 O ALA A 73 -2.174 -14.133 -4.364 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.192 -12.139 -3.723 1.00 0.00 C ATOM 0 H ALA A 73 1.007 -14.022 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.097 -12.448 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.893 -11.359 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.700 -11.681 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.087 -12.729 -4.596 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.201 -13.574 -2.442 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.481 -14.108 -2.869 1.00 0.00 C ATOM 1079 C GLY A 74 -5.548 -13.037 -2.979 1.00 0.00 C ATOM 1080 O GLY A 74 -5.332 -11.894 -2.578 1.00 0.00 O ATOM 0 H GLY A 74 -3.197 -13.166 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.362 -14.599 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.807 -14.870 -2.162 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.702 -13.407 -3.526 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.805 -12.468 -3.689 1.00 0.00 C ATOM 1086 C GLN A 75 -7.883 -11.509 -2.506 1.00 0.00 C ATOM 1087 O GLN A 75 -7.926 -10.292 -2.684 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.127 -13.223 -3.837 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.234 -14.017 -5.129 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.373 -13.129 -6.350 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.149 -12.173 -6.351 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.619 -13.441 -7.398 1.00 0.00 N ATOM 0 H GLN A 75 -6.897 -14.350 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.624 -11.886 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.244 -13.902 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.950 -12.510 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.350 -14.644 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.093 -14.685 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.990 -14.242 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.669 -12.879 -8.248 1.00 0.00 H new ATOM 1101 N ALA A 76 -7.903 -12.065 -1.300 1.00 0.00 N ATOM 1102 CA ALA A 76 -7.974 -11.259 -0.087 1.00 0.00 C ATOM 1103 C ALA A 76 -6.897 -10.178 -0.083 1.00 0.00 C ATOM 1104 O ALA A 76 -7.197 -8.992 0.044 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.842 -12.143 1.144 1.00 0.00 C ATOM 0 H ALA A 76 -7.871 -13.071 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.946 -10.767 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.897 -11.527 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.650 -12.874 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.884 -12.662 1.118 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.644 -10.598 -0.220 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.523 -9.665 -0.230 1.00 0.00 C ATOM 1113 C GLU A 77 -4.667 -8.654 -1.364 1.00 0.00 C ATOM 1114 O GLU A 77 -4.158 -7.537 -1.281 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.201 -10.423 -0.372 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.659 -10.953 0.944 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.403 -12.183 1.428 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.024 -12.868 0.588 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.364 -12.461 2.644 1.00 0.00 O ATOM 0 H GLU A 77 -5.379 -11.577 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.524 -9.125 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.342 -11.257 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.459 -9.762 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.603 -11.195 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.725 -10.172 1.701 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.365 -9.055 -2.421 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.577 -8.184 -3.571 1.00 0.00 C ATOM 1128 C ALA A 78 -6.498 -7.022 -3.216 1.00 0.00 C ATOM 1129 O ALA A 78 -7.641 -7.225 -2.810 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.150 -8.978 -4.735 1.00 0.00 C ATOM 0 H ALA A 78 -5.793 -9.977 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.612 -7.772 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.303 -8.316 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.455 -9.770 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.103 -9.418 -4.441 1.00 0.00 H new ATOM 1136 N GLY A 79 -5.992 -5.802 -3.373 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.783 -4.626 -3.064 1.00 0.00 C ATOM 1138 C GLY A 79 -5.993 -3.341 -3.212 1.00 0.00 C ATOM 1139 O GLY A 79 -5.211 -3.190 -4.150 1.00 0.00 O ATOM 0 H GLY A 79 -5.049 -5.608 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.651 -4.593 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.159 -4.702 -2.044 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.198 -2.411 -2.284 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.500 -1.132 -2.318 1.00 0.00 C ATOM 1145 C GLU A 80 -4.652 -0.941 -1.063 1.00 0.00 C ATOM 1146 O GLU A 80 -5.154 -1.026 0.058 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.501 0.018 -2.449 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.883 0.331 -3.886 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.679 1.616 -4.011 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.219 2.652 -3.487 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.762 1.585 -4.631 1.00 0.00 O ATOM 0 H GLU A 80 -6.842 -2.520 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.840 -1.131 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.402 -0.230 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.077 0.912 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.979 0.408 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.468 -0.495 -4.291 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.364 -0.684 -1.261 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.445 -0.485 -0.146 1.00 0.00 C ATOM 1160 C TYR A 81 -1.917 0.947 -0.125 1.00 0.00 C ATOM 1161 O TYR A 81 -1.399 1.444 -1.126 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.278 -1.469 -0.238 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.680 -2.908 -0.003 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.524 -3.567 -0.889 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.218 -3.608 1.105 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.894 -4.881 -0.678 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.582 -4.922 1.323 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.421 -5.555 0.429 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.787 -6.864 0.643 1.00 0.00 O ATOM 0 H TYR A 81 -2.933 -0.609 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.992 -0.666 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.819 -1.385 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.519 -1.189 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.897 -3.043 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.563 -3.116 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.551 -5.379 -1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.212 -5.451 2.189 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.657 -7.033 0.224 1.00 0.00 H new ATOM 1179 N SER A 82 -2.050 1.603 1.023 1.00 0.00 N ATOM 1180 CA SER A 82 -1.590 2.978 1.175 1.00 0.00 C ATOM 1181 C SER A 82 -0.469 3.065 2.206 1.00 0.00 C ATOM 1182 O SER A 82 -0.692 2.860 3.400 1.00 0.00 O ATOM 1183 CB SER A 82 -2.751 3.884 1.589 1.00 0.00 C ATOM 1184 OG SER A 82 -3.804 3.830 0.642 1.00 0.00 O ATOM 0 H SER A 82 -2.473 1.204 1.861 1.00 0.00 H new ATOM 0 HA SER A 82 -1.202 3.314 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.122 3.580 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.398 4.911 1.687 1.00 0.00 H new ATOM 0 HG SER A 82 -4.534 4.416 0.931 1.00 0.00 H new ATOM 1190 N CYS A 83 0.736 3.369 1.737 1.00 0.00 N ATOM 1191 CA CYS A 83 1.893 3.482 2.618 1.00 0.00 C ATOM 1192 C CYS A 83 1.964 4.870 3.247 1.00 0.00 C ATOM 1193 O CYS A 83 2.449 5.817 2.628 1.00 0.00 O ATOM 1194 CB CYS A 83 3.180 3.194 1.843 1.00 0.00 C ATOM 1195 SG CYS A 83 4.677 3.237 2.856 1.00 0.00 S ATOM 0 H CYS A 83 0.937 3.542 0.752 1.00 0.00 H new ATOM 0 HA CYS A 83 1.785 2.747 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.098 2.212 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.278 3.923 1.038 1.00 0.00 H new ATOM 0 HG CYS A 83 5.628 2.587 2.253 1.00 0.00 H new ATOM 1201 N GLU A 84 1.477 4.982 4.478 1.00 0.00 N ATOM 1202 CA GLU A 84 1.483 6.255 5.189 1.00 0.00 C ATOM 1203 C GLU A 84 2.798 6.454 5.936 1.00 0.00 C ATOM 1204 O GLU A 84 3.260 5.564 6.650 1.00 0.00 O ATOM 1205 CB GLU A 84 0.311 6.322 6.170 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.208 7.731 6.403 1.00 0.00 C ATOM 1207 CD GLU A 84 -0.993 7.858 7.694 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -1.894 7.026 7.926 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.705 8.791 8.474 1.00 0.00 O ATOM 0 H GLU A 84 1.073 4.207 5.004 1.00 0.00 H new ATOM 0 HA GLU A 84 1.378 7.053 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.503 5.702 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.622 5.896 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.632 8.425 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.842 8.023 5.566 1.00 0.00 H new ATOM 1216 N ALA A 85 3.397 7.629 5.766 1.00 0.00 N ATOM 1217 CA ALA A 85 4.658 7.946 6.424 1.00 0.00 C ATOM 1218 C ALA A 85 4.566 9.269 7.178 1.00 0.00 C ATOM 1219 O ALA A 85 5.528 9.702 7.811 1.00 0.00 O ATOM 1220 CB ALA A 85 5.788 7.994 5.406 1.00 0.00 C ATOM 0 H ALA A 85 3.029 8.377 5.178 1.00 0.00 H new ATOM 0 HA ALA A 85 4.870 7.159 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.724 8.232 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.877 7.025 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.574 8.760 4.661 1.00 0.00 H new ATOM 1226 N GLY A 86 3.402 9.908 7.103 1.00 0.00 N ATOM 1227 CA GLY A 86 3.207 11.175 7.782 1.00 0.00 C ATOM 1228 C GLY A 86 2.381 12.149 6.966 1.00 0.00 C ATOM 1229 O GLY A 86 2.926 12.975 6.234 1.00 0.00 O ATOM 0 H GLY A 86 2.591 9.570 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.715 10.999 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.178 11.620 8.000 1.00 0.00 H new ATOM 1233 N GLY A 87 1.061 12.052 7.089 1.00 0.00 N ATOM 1234 CA GLY A 87 0.180 12.936 6.348 1.00 0.00 C ATOM 1235 C GLY A 87 -0.009 12.496 4.910 1.00 0.00 C ATOM 1236 O GLY A 87 -1.113 12.572 4.372 1.00 0.00 O ATOM 0 H GLY A 87 0.586 11.377 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.790 12.975 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.587 13.947 6.365 1.00 0.00 H new ATOM 1240 N GLN A 88 1.071 12.035 4.287 1.00 0.00 N ATOM 1241 CA GLN A 88 1.018 11.583 2.902 1.00 0.00 C ATOM 1242 C GLN A 88 1.111 10.063 2.821 1.00 0.00 C ATOM 1243 O GLN A 88 1.601 9.412 3.744 1.00 0.00 O ATOM 1244 CB GLN A 88 2.150 12.219 2.093 1.00 0.00 C ATOM 1245 CG GLN A 88 1.973 13.712 1.867 1.00 0.00 C ATOM 1246 CD GLN A 88 3.020 14.290 0.937 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.678 13.560 0.194 1.00 0.00 O ATOM 1248 NE2 GLN A 88 3.182 15.607 0.972 1.00 0.00 N ATOM 0 H GLN A 88 1.992 11.965 4.719 1.00 0.00 H new ATOM 0 HA GLN A 88 0.061 11.893 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.095 12.048 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.220 11.720 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.982 13.898 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.019 14.229 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.615 16.174 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.873 16.052 0.368 1.00 0.00 H new ATOM 1257 N GLN A 89 0.638 9.504 1.712 1.00 0.00 N ATOM 1258 CA GLN A 89 0.667 8.060 1.512 1.00 0.00 C ATOM 1259 C GLN A 89 0.477 7.710 0.040 1.00 0.00 C ATOM 1260 O GLN A 89 -0.399 8.257 -0.631 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.419 7.386 2.353 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.825 7.860 2.024 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.887 7.138 2.829 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.578 6.383 3.752 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -4.149 7.367 2.485 1.00 0.00 N ATOM 0 H GLN A 89 0.230 10.029 0.938 1.00 0.00 H new ATOM 0 HA GLN A 89 1.643 7.694 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.364 6.307 2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.219 7.574 3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.897 8.931 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.016 7.710 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.361 8.000 1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.907 6.910 2.992 1.00 0.00 H new ATOM 1274 N LEU A 90 1.304 6.797 -0.457 1.00 0.00 N ATOM 1275 CA LEU A 90 1.228 6.374 -1.851 1.00 0.00 C ATOM 1276 C LEU A 90 0.241 5.223 -2.018 1.00 0.00 C ATOM 1277 O LEU A 90 0.152 4.340 -1.164 1.00 0.00 O ATOM 1278 CB LEU A 90 2.610 5.953 -2.353 1.00 0.00 C ATOM 1279 CG LEU A 90 3.685 7.041 -2.353 1.00 0.00 C ATOM 1280 CD1 LEU A 90 5.068 6.425 -2.214 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.596 7.877 -3.622 1.00 0.00 C ATOM 0 H LEU A 90 2.035 6.335 0.084 1.00 0.00 H new ATOM 0 HA LEU A 90 0.875 7.219 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.961 5.124 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.505 5.574 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 90 3.514 7.695 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.820 7.214 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.127 5.870 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.250 5.748 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.368 8.646 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.741 7.236 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.615 8.349 -3.679 1.00 0.00 H new ATOM 1293 N SER A 91 -0.496 5.238 -3.123 1.00 0.00 N ATOM 1294 CA SER A 91 -1.478 4.196 -3.401 1.00 0.00 C ATOM 1295 C SER A 91 -0.863 3.081 -4.243 1.00 0.00 C ATOM 1296 O SER A 91 -0.110 3.340 -5.182 1.00 0.00 O ATOM 1297 CB SER A 91 -2.690 4.787 -4.124 1.00 0.00 C ATOM 1298 OG SER A 91 -2.881 6.146 -3.771 1.00 0.00 O ATOM 0 H SER A 91 -0.432 5.960 -3.841 1.00 0.00 H new ATOM 0 HA SER A 91 -1.802 3.773 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.551 4.704 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.582 4.214 -3.873 1.00 0.00 H new ATOM 0 HG SER A 91 -3.660 6.501 -4.247 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.190 1.840 -3.899 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.671 0.684 -4.621 1.00 0.00 C ATOM 1306 C PHE A 92 -1.754 -0.374 -4.805 1.00 0.00 C ATOM 1307 O PHE A 92 -2.126 -1.068 -3.858 1.00 0.00 O ATOM 1308 CB PHE A 92 0.523 0.085 -3.875 1.00 0.00 C ATOM 1309 CG PHE A 92 1.791 0.873 -4.042 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.632 0.638 -5.118 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.143 1.848 -3.123 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.799 1.361 -5.275 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.308 2.574 -3.274 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.138 2.330 -4.351 1.00 0.00 C ATOM 0 H PHE A 92 -1.812 1.609 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.345 1.018 -5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.282 0.019 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.688 -0.933 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.372 -0.119 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.499 2.043 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.445 1.169 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.570 3.332 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.050 2.896 -4.470 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.256 -0.492 -6.030 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.298 -1.465 -6.338 1.00 0.00 C ATOM 1326 C ARG A 93 -2.693 -2.833 -6.638 1.00 0.00 C ATOM 1327 O ARG A 93 -2.096 -3.041 -7.695 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.131 -0.991 -7.530 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.185 -1.993 -7.973 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.456 -1.866 -7.148 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.203 -0.655 -7.476 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.930 -0.516 -8.579 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.008 -1.508 -9.455 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.581 0.617 -8.807 1.00 0.00 N ATOM 0 H ARG A 93 -1.958 0.074 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.944 -1.557 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.621 -0.052 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.465 -0.782 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.417 -1.837 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.789 -3.004 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.087 -2.738 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.201 -1.859 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.164 0.127 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.509 -2.381 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.567 -1.398 -10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.524 1.382 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.139 0.723 -9.654 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.850 -3.762 -5.702 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.319 -5.111 -5.865 1.00 0.00 C ATOM 1350 C LEU A 94 -3.374 -6.045 -6.448 1.00 0.00 C ATOM 1351 O LEU A 94 -4.474 -6.166 -5.910 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.828 -5.653 -4.522 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.527 -7.152 -4.472 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.406 -7.503 -5.437 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.167 -7.577 -3.056 1.00 0.00 C ATOM 0 H LEU A 94 -3.341 -3.606 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.480 -5.063 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.924 -5.112 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.580 -5.428 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.423 -7.694 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.205 -8.573 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.702 -7.235 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.494 -6.952 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.956 -8.646 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.286 -7.028 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.001 -7.361 -2.388 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.031 -6.704 -7.550 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.949 -7.628 -8.205 1.00 0.00 C ATOM 1369 C GLN A 95 -3.424 -9.058 -8.134 1.00 0.00 C ATOM 1370 O GLN A 95 -2.221 -9.283 -7.995 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.161 -7.221 -9.664 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.139 -6.071 -9.839 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.121 -5.498 -11.242 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.257 -6.227 -12.225 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.953 -4.184 -11.343 1.00 0.00 N ATOM 0 H GLN A 95 -2.124 -6.615 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.904 -7.585 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.201 -6.940 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.523 -8.083 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.146 -6.417 -9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.898 -5.283 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.844 -3.618 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.933 -3.742 -12.262 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.333 -10.023 -8.231 1.00 0.00 N ATOM 1385 CA VAL A 96 -3.962 -11.432 -8.179 1.00 0.00 C ATOM 1386 C VAL A 96 -4.568 -12.203 -9.346 1.00 0.00 C ATOM 1387 O VAL A 96 -5.595 -11.808 -9.898 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.413 -12.083 -6.858 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.077 -13.566 -6.851 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.774 -11.377 -5.672 1.00 0.00 C ATOM 0 H VAL A 96 -5.332 -9.854 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.875 -11.476 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.495 -11.981 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.403 -14.009 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.586 -14.058 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.000 -13.696 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.103 -11.850 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.689 -11.446 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.071 -10.328 -5.670 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.926 -13.306 -9.716 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.403 -14.135 -10.816 1.00 0.00 C ATOM 1402 C ALA A 97 -4.520 -15.595 -10.393 1.00 0.00 C ATOM 1403 O ALA A 97 -3.576 -16.371 -10.536 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.476 -14.004 -12.016 1.00 0.00 C ATOM 0 H ALA A 97 -3.074 -13.646 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.396 -13.785 -11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.844 -14.628 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.446 -12.964 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.472 -14.326 -11.737 1.00 0.00 H new