USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 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 -39:sc= -0.0328 USER MOD Set 1.2: A 83 CYS SG : rot -175:sc=-0.00421 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.244 (180deg=-1.28) USER MOD Single : A 15 GLN :FLIP amide:sc= -5.05! C(o=-6.8!,f=-5!) USER MOD Single : A 18 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-10!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 28 SER OG : rot 45:sc= 1.27 USER MOD Single : A 30 THR OG1 : rot -23:sc= 0.495 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 37 GLN : amide:sc= -2.23 K(o=-2.2,f=-5.5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.65 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0.367 (180deg=0.179) 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 180:sc= -0.714 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 142:sc= 0.0122 (180deg=-0.0048) USER MOD Single : A 64 CYS SG : rot 70:sc= -0.872 USER MOD Single : A 65 THR OG1 : rot 14:sc= 0.518 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 75 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 81 TYR OH : rot -23:sc= 0.357 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 7.415 17.321 3.622 1.00 0.00 N ATOM 89 CA VAL A 9 7.497 16.249 2.637 1.00 0.00 C ATOM 90 C VAL A 9 8.150 15.006 3.230 1.00 0.00 C ATOM 91 O VAL A 9 9.247 15.073 3.785 1.00 0.00 O ATOM 92 CB VAL A 9 8.291 16.689 1.393 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.413 15.541 0.403 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.635 17.897 0.742 1.00 0.00 C ATOM 0 HA VAL A 9 6.475 16.013 2.341 1.00 0.00 H new ATOM 0 HB VAL A 9 9.295 16.974 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.977 15.871 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.931 14.707 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.418 15.221 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.209 18.194 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.619 17.641 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.606 18.722 1.453 1.00 0.00 H new ATOM 104 N VAL A 10 7.469 13.871 3.109 1.00 0.00 N ATOM 105 CA VAL A 10 7.983 12.611 3.631 1.00 0.00 C ATOM 106 C VAL A 10 8.510 11.725 2.508 1.00 0.00 C ATOM 107 O VAL A 10 9.534 11.057 2.658 1.00 0.00 O ATOM 108 CB VAL A 10 6.900 11.843 4.412 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.464 10.545 4.971 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.330 12.710 5.524 1.00 0.00 C ATOM 0 H VAL A 10 6.559 13.799 2.654 1.00 0.00 H new ATOM 0 HA VAL A 10 8.801 12.859 4.308 1.00 0.00 H new ATOM 0 HB VAL A 10 6.090 11.593 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.685 10.016 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.819 9.920 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.293 10.768 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.566 12.152 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.128 12.993 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.886 13.608 5.094 1.00 0.00 H new ATOM 120 N PHE A 11 7.804 11.723 1.382 1.00 0.00 N ATOM 121 CA PHE A 11 8.200 10.918 0.233 1.00 0.00 C ATOM 122 C PHE A 11 8.815 11.791 -0.857 1.00 0.00 C ATOM 123 O PHE A 11 8.771 13.019 -0.782 1.00 0.00 O ATOM 124 CB PHE A 11 6.994 10.160 -0.326 1.00 0.00 C ATOM 125 CG PHE A 11 6.271 9.340 0.705 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.680 8.047 0.991 1.00 0.00 C ATOM 127 CD2 PHE A 11 5.183 9.861 1.386 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.018 7.290 1.939 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.518 9.108 2.335 1.00 0.00 C ATOM 130 CZ PHE A 11 4.935 7.821 2.611 1.00 0.00 C ATOM 0 H PHE A 11 6.955 12.270 1.241 1.00 0.00 H new ATOM 0 HA PHE A 11 8.950 10.200 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.297 10.874 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.328 9.505 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.526 7.626 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.851 10.866 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.347 6.284 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.672 9.526 2.861 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.415 7.231 3.351 1.00 0.00 H new ATOM 140 N ALA A 12 9.390 11.148 -1.868 1.00 0.00 N ATOM 141 CA ALA A 12 10.013 11.865 -2.973 1.00 0.00 C ATOM 142 C ALA A 12 9.018 12.801 -3.651 1.00 0.00 C ATOM 143 O ALA A 12 7.822 12.768 -3.361 1.00 0.00 O ATOM 144 CB ALA A 12 10.587 10.881 -3.983 1.00 0.00 C ATOM 0 H ALA A 12 9.437 10.132 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 12 10.824 12.471 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.049 11.430 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.336 10.256 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.787 10.252 -4.373 1.00 0.00 H new ATOM 150 N LYS A 13 9.520 13.636 -4.555 1.00 0.00 N ATOM 151 CA LYS A 13 8.676 14.582 -5.275 1.00 0.00 C ATOM 152 C LYS A 13 8.134 13.960 -6.558 1.00 0.00 C ATOM 153 O LYS A 13 7.020 14.264 -6.983 1.00 0.00 O ATOM 154 CB LYS A 13 9.464 15.852 -5.605 1.00 0.00 C ATOM 155 CG LYS A 13 10.703 15.597 -6.445 1.00 0.00 C ATOM 156 CD LYS A 13 11.819 16.571 -6.101 1.00 0.00 C ATOM 157 CE LYS A 13 11.508 17.973 -6.601 1.00 0.00 C ATOM 158 NZ LYS A 13 10.620 18.712 -5.661 1.00 0.00 N ATOM 0 H LYS A 13 10.508 13.677 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 13 7.834 14.841 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.812 16.547 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.759 16.338 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.048 14.575 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.452 15.688 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.965 16.593 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.754 16.225 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.438 18.526 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.031 17.912 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.822 19.730 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.626 18.541 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.791 18.381 -4.690 1.00 0.00 H new ATOM 172 N GLU A 14 8.929 13.087 -7.169 1.00 0.00 N ATOM 173 CA GLU A 14 8.526 12.422 -8.403 1.00 0.00 C ATOM 174 C GLU A 14 7.845 11.090 -8.106 1.00 0.00 C ATOM 175 O GLU A 14 7.914 10.155 -8.903 1.00 0.00 O ATOM 176 CB GLU A 14 9.741 12.196 -9.306 1.00 0.00 C ATOM 177 CG GLU A 14 10.458 13.478 -9.694 1.00 0.00 C ATOM 178 CD GLU A 14 11.801 13.220 -10.348 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.585 12.419 -9.798 1.00 0.00 O ATOM 180 OE2 GLU A 14 12.069 13.820 -11.411 1.00 0.00 O ATOM 0 H GLU A 14 9.854 12.824 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 14 7.814 13.067 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.444 11.536 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.419 11.681 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.829 14.049 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.603 14.092 -8.805 1.00 0.00 H new ATOM 187 N GLN A 15 7.186 11.012 -6.954 1.00 0.00 N ATOM 188 CA GLN A 15 6.493 9.794 -6.551 1.00 0.00 C ATOM 189 C GLN A 15 5.173 9.646 -7.301 1.00 0.00 C ATOM 190 O GLN A 15 4.374 10.578 -7.391 1.00 0.00 O ATOM 191 CB GLN A 15 6.239 9.802 -5.043 1.00 0.00 C ATOM 192 CG GLN A 15 7.490 9.561 -4.214 1.00 0.00 C ATOM 193 CD GLN A 15 7.743 8.090 -3.953 1.00 0.00 C ATOM 194 OE1 GLN A 15 8.781 7.795 -3.179 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.013 7.226 -4.442 1.00 0.00 N flip ATOM 0 H GLN A 15 7.118 11.778 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 15 7.129 8.944 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.806 10.762 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.501 9.036 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.350 9.988 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.397 10.084 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.226 7.497 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.196 6.240 -4.257 1.00 0.00 H new ATOM 204 N PRO A 16 4.937 8.447 -7.853 1.00 0.00 N ATOM 205 CA PRO A 16 3.715 8.148 -8.605 1.00 0.00 C ATOM 206 C PRO A 16 2.483 8.086 -7.708 1.00 0.00 C ATOM 207 O PRO A 16 2.353 7.188 -6.877 1.00 0.00 O ATOM 208 CB PRO A 16 4.001 6.774 -9.216 1.00 0.00 C ATOM 209 CG PRO A 16 5.005 6.156 -8.305 1.00 0.00 C ATOM 210 CD PRO A 16 5.846 7.290 -7.786 1.00 0.00 C ATOM 0 HA PRO A 16 3.491 8.919 -9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.095 6.170 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.390 6.865 -10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.516 5.626 -7.487 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.617 5.427 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.186 7.105 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.736 7.442 -8.396 1.00 0.00 H new ATOM 218 N ALA A 17 1.582 9.047 -7.882 1.00 0.00 N ATOM 219 CA ALA A 17 0.359 9.100 -7.089 1.00 0.00 C ATOM 220 C ALA A 17 -0.251 7.712 -6.929 1.00 0.00 C ATOM 221 O ALA A 17 -0.905 7.422 -5.927 1.00 0.00 O ATOM 222 CB ALA A 17 -0.643 10.049 -7.729 1.00 0.00 C ATOM 0 H ALA A 17 1.675 9.799 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 17 0.613 9.473 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.551 10.079 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.212 11.049 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.885 9.700 -8.733 1.00 0.00 H new ATOM 228 N HIS A 18 -0.035 6.856 -7.924 1.00 0.00 N ATOM 229 CA HIS A 18 -0.565 5.498 -7.893 1.00 0.00 C ATOM 230 C HIS A 18 0.380 4.530 -8.598 1.00 0.00 C ATOM 231 O HIS A 18 0.952 4.853 -9.639 1.00 0.00 O ATOM 232 CB HIS A 18 -1.945 5.451 -8.549 1.00 0.00 C ATOM 233 CG HIS A 18 -2.639 4.133 -8.390 1.00 0.00 C ATOM 234 ND1 HIS A 18 -1.997 2.922 -8.537 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.927 3.841 -8.095 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.860 1.942 -8.339 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.039 2.473 -8.069 1.00 0.00 N ATOM 0 H HIS A 18 0.503 7.080 -8.761 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.657 5.194 -6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.569 6.235 -8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.841 5.672 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.719 4.552 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.639 0.886 -8.389 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.893 1.952 -7.873 1.00 0.00 H new ATOM 246 N ARG A 19 0.540 3.342 -8.024 1.00 0.00 N ATOM 247 CA ARG A 19 1.417 2.328 -8.596 1.00 0.00 C ATOM 248 C ARG A 19 0.675 1.008 -8.781 1.00 0.00 C ATOM 249 O ARG A 19 0.652 0.167 -7.883 1.00 0.00 O ATOM 250 CB ARG A 19 2.640 2.117 -7.701 1.00 0.00 C ATOM 251 CG ARG A 19 3.659 3.241 -7.787 1.00 0.00 C ATOM 252 CD ARG A 19 5.003 2.819 -7.214 1.00 0.00 C ATOM 253 NE ARG A 19 6.116 3.503 -7.868 1.00 0.00 N ATOM 254 CZ ARG A 19 6.511 3.243 -9.109 1.00 0.00 C ATOM 255 NH1 ARG A 19 5.887 2.320 -9.827 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.532 3.908 -9.634 1.00 0.00 N ATOM 0 H ARG A 19 0.073 3.058 -7.163 1.00 0.00 H new ATOM 0 HA ARG A 19 1.747 2.679 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.310 2.016 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.123 1.179 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.784 3.542 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.289 4.112 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.024 3.032 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.123 1.742 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 19 6.617 4.219 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.101 1.807 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.192 2.122 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.014 4.619 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.835 3.708 -10.587 1.00 0.00 H new ATOM 270 N GLU A 20 0.068 0.835 -9.951 1.00 0.00 N ATOM 271 CA GLU A 20 -0.677 -0.382 -10.253 1.00 0.00 C ATOM 272 C GLU A 20 0.257 -1.587 -10.323 1.00 0.00 C ATOM 273 O GLU A 20 1.022 -1.739 -11.275 1.00 0.00 O ATOM 274 CB GLU A 20 -1.432 -0.230 -11.575 1.00 0.00 C ATOM 275 CG GLU A 20 -2.362 0.971 -11.610 1.00 0.00 C ATOM 276 CD GLU A 20 -1.679 2.223 -12.126 1.00 0.00 C ATOM 277 OE1 GLU A 20 -1.599 2.387 -13.361 1.00 0.00 O ATOM 278 OE2 GLU A 20 -1.225 3.037 -11.295 1.00 0.00 O ATOM 0 H GLU A 20 0.077 1.522 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.396 -0.547 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.711 -0.144 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.013 -1.134 -11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.220 0.743 -12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.746 1.158 -10.607 1.00 0.00 H new ATOM 285 N VAL A 21 0.188 -2.442 -9.307 1.00 0.00 N ATOM 286 CA VAL A 21 1.025 -3.634 -9.253 1.00 0.00 C ATOM 287 C VAL A 21 0.212 -4.890 -9.546 1.00 0.00 C ATOM 288 O VAL A 21 -0.949 -4.994 -9.152 1.00 0.00 O ATOM 289 CB VAL A 21 1.702 -3.782 -7.877 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.641 -4.979 -7.870 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.446 -2.508 -7.510 1.00 0.00 C ATOM 0 H VAL A 21 -0.439 -2.331 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 21 1.794 -3.517 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 21 0.929 -3.953 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.110 -5.068 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.076 -5.886 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.411 -4.842 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.918 -2.630 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.210 -2.304 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.744 -1.675 -7.471 1.00 0.00 H new ATOM 301 N GLN A 22 0.832 -5.841 -10.238 1.00 0.00 N ATOM 302 CA GLN A 22 0.165 -7.091 -10.583 1.00 0.00 C ATOM 303 C GLN A 22 0.851 -8.277 -9.914 1.00 0.00 C ATOM 304 O GLN A 22 2.014 -8.192 -9.520 1.00 0.00 O ATOM 305 CB GLN A 22 0.152 -7.284 -12.100 1.00 0.00 C ATOM 306 CG GLN A 22 -0.586 -8.535 -12.548 1.00 0.00 C ATOM 307 CD GLN A 22 -0.589 -8.703 -14.055 1.00 0.00 C ATOM 308 OE1 GLN A 22 0.081 -7.963 -14.775 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.346 -9.681 -14.540 1.00 0.00 N ATOM 0 H GLN A 22 1.794 -5.770 -10.570 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.862 -7.037 -10.221 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.311 -6.413 -12.565 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.180 -7.330 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.123 -9.409 -12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.614 -8.494 -12.189 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.885 -10.271 -13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.388 -9.842 -15.546 1.00 0.00 H new ATOM 318 N ALA A 23 0.123 -9.382 -9.788 1.00 0.00 N ATOM 319 CA ALA A 23 0.662 -10.585 -9.168 1.00 0.00 C ATOM 320 C ALA A 23 -0.187 -11.806 -9.508 1.00 0.00 C ATOM 321 O ALA A 23 -1.271 -11.679 -10.075 1.00 0.00 O ATOM 322 CB ALA A 23 0.752 -10.407 -7.660 1.00 0.00 C ATOM 0 H ALA A 23 -0.842 -9.468 -10.107 1.00 0.00 H new ATOM 0 HA ALA A 23 1.664 -10.750 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.156 -11.314 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.406 -9.566 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.242 -10.214 -7.256 1.00 0.00 H new ATOM 328 N GLU A 24 0.315 -12.986 -9.159 1.00 0.00 N ATOM 329 CA GLU A 24 -0.398 -14.229 -9.430 1.00 0.00 C ATOM 330 C GLU A 24 -0.815 -14.912 -8.130 1.00 0.00 C ATOM 331 O GLU A 24 -0.169 -14.748 -7.096 1.00 0.00 O ATOM 332 CB GLU A 24 0.475 -15.174 -10.258 1.00 0.00 C ATOM 333 CG GLU A 24 0.729 -14.684 -11.673 1.00 0.00 C ATOM 334 CD GLU A 24 1.090 -15.810 -12.624 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.330 -16.798 -12.690 1.00 0.00 O ATOM 336 OE2 GLU A 24 2.133 -15.701 -13.302 1.00 0.00 O ATOM 0 H GLU A 24 1.212 -13.108 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.297 -13.986 -9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.431 -15.309 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.003 -16.152 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.160 -14.173 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.536 -13.951 -11.661 1.00 0.00 H new ATOM 343 N ALA A 25 -1.899 -15.677 -8.192 1.00 0.00 N ATOM 344 CA ALA A 25 -2.402 -16.386 -7.022 1.00 0.00 C ATOM 345 C ALA A 25 -1.331 -17.295 -6.429 1.00 0.00 C ATOM 346 O ALA A 25 -0.877 -18.238 -7.074 1.00 0.00 O ATOM 347 CB ALA A 25 -3.640 -17.192 -7.384 1.00 0.00 C ATOM 0 H ALA A 25 -2.446 -15.822 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.672 -15.646 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.004 -17.716 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.416 -16.521 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.389 -17.917 -8.158 1.00 0.00 H new ATOM 353 N GLY A 26 -0.931 -17.004 -5.194 1.00 0.00 N ATOM 354 CA GLY A 26 0.084 -17.805 -4.535 1.00 0.00 C ATOM 355 C GLY A 26 1.471 -17.207 -4.669 1.00 0.00 C ATOM 356 O GLY A 26 2.426 -17.698 -4.068 1.00 0.00 O ATOM 0 H GLY A 26 -1.292 -16.228 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.165 -17.904 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.082 -18.809 -4.959 1.00 0.00 H new ATOM 360 N ALA A 27 1.582 -16.146 -5.462 1.00 0.00 N ATOM 361 CA ALA A 27 2.862 -15.481 -5.672 1.00 0.00 C ATOM 362 C ALA A 27 3.172 -14.514 -4.535 1.00 0.00 C ATOM 363 O ALA A 27 2.340 -14.287 -3.656 1.00 0.00 O ATOM 364 CB ALA A 27 2.863 -14.749 -7.006 1.00 0.00 C ATOM 0 H ALA A 27 0.801 -15.729 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 27 3.641 -16.243 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.825 -14.257 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.696 -15.463 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.069 -14.002 -7.012 1.00 0.00 H new ATOM 370 N SER A 28 4.374 -13.946 -4.558 1.00 0.00 N ATOM 371 CA SER A 28 4.795 -13.006 -3.526 1.00 0.00 C ATOM 372 C SER A 28 4.940 -11.599 -4.098 1.00 0.00 C ATOM 373 O SER A 28 5.950 -11.271 -4.720 1.00 0.00 O ATOM 374 CB SER A 28 6.120 -13.456 -2.906 1.00 0.00 C ATOM 375 OG SER A 28 7.183 -13.337 -3.835 1.00 0.00 O ATOM 0 H SER A 28 5.073 -14.121 -5.280 1.00 0.00 H new ATOM 0 HA SER A 28 4.028 -12.987 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.335 -12.854 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.037 -14.491 -2.574 1.00 0.00 H new ATOM 0 HG SER A 28 7.124 -12.471 -4.290 1.00 0.00 H new ATOM 381 N ALA A 29 3.921 -10.772 -3.884 1.00 0.00 N ATOM 382 CA ALA A 29 3.935 -9.401 -4.376 1.00 0.00 C ATOM 383 C ALA A 29 4.975 -8.563 -3.640 1.00 0.00 C ATOM 384 O ALA A 29 5.576 -9.017 -2.665 1.00 0.00 O ATOM 385 CB ALA A 29 2.555 -8.775 -4.234 1.00 0.00 C ATOM 0 H ALA A 29 3.076 -11.028 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 29 4.206 -9.424 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.580 -7.751 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.832 -9.352 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.263 -8.773 -3.184 1.00 0.00 H new ATOM 391 N THR A 30 5.185 -7.338 -4.112 1.00 0.00 N ATOM 392 CA THR A 30 6.154 -6.438 -3.500 1.00 0.00 C ATOM 393 C THR A 30 5.888 -4.991 -3.897 1.00 0.00 C ATOM 394 O THR A 30 6.097 -4.604 -5.048 1.00 0.00 O ATOM 395 CB THR A 30 7.595 -6.811 -3.897 1.00 0.00 C ATOM 396 OG1 THR A 30 7.837 -8.195 -3.619 1.00 0.00 O ATOM 397 CG2 THR A 30 8.602 -5.954 -3.145 1.00 0.00 C ATOM 0 H THR A 30 4.696 -6.946 -4.917 1.00 0.00 H new ATOM 0 HA THR A 30 6.044 -6.541 -2.421 1.00 0.00 H new ATOM 0 HB THR A 30 7.713 -6.629 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.215 -8.503 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.612 -6.235 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.434 -4.903 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.482 -6.109 -2.073 1.00 0.00 H new ATOM 405 N LEU A 31 5.426 -4.195 -2.939 1.00 0.00 N ATOM 406 CA LEU A 31 5.132 -2.788 -3.189 1.00 0.00 C ATOM 407 C LEU A 31 6.235 -1.894 -2.634 1.00 0.00 C ATOM 408 O LEU A 31 6.248 -1.572 -1.445 1.00 0.00 O ATOM 409 CB LEU A 31 3.789 -2.409 -2.564 1.00 0.00 C ATOM 410 CG LEU A 31 2.668 -3.440 -2.703 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.515 -3.104 -1.770 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.187 -3.513 -4.145 1.00 0.00 C ATOM 0 H LEU A 31 5.247 -4.500 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 31 5.079 -2.639 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.947 -2.215 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.453 -1.474 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 31 3.062 -4.417 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.727 -3.848 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.869 -3.104 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.121 -2.118 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.389 -4.252 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.811 -2.537 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.016 -3.802 -4.791 1.00 0.00 H new ATOM 424 N SER A 32 7.159 -1.494 -3.501 1.00 0.00 N ATOM 425 CA SER A 32 8.268 -0.638 -3.097 1.00 0.00 C ATOM 426 C SER A 32 7.926 0.833 -3.314 1.00 0.00 C ATOM 427 O SER A 32 7.133 1.174 -4.192 1.00 0.00 O ATOM 428 CB SER A 32 9.532 -1.000 -3.880 1.00 0.00 C ATOM 429 OG SER A 32 10.462 0.069 -3.869 1.00 0.00 O ATOM 0 H SER A 32 7.162 -1.749 -4.489 1.00 0.00 H new ATOM 0 HA SER A 32 8.449 -0.798 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.990 -1.889 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.268 -1.246 -4.909 1.00 0.00 H new ATOM 0 HG SER A 32 11.261 -0.188 -4.374 1.00 0.00 H new ATOM 435 N CYS A 33 8.529 1.700 -2.508 1.00 0.00 N ATOM 436 CA CYS A 33 8.289 3.135 -2.610 1.00 0.00 C ATOM 437 C CYS A 33 9.431 3.924 -1.978 1.00 0.00 C ATOM 438 O CYS A 33 9.865 3.622 -0.867 1.00 0.00 O ATOM 439 CB CYS A 33 6.966 3.500 -1.936 1.00 0.00 C ATOM 440 SG CYS A 33 6.867 3.021 -0.195 1.00 0.00 S ATOM 0 H CYS A 33 9.188 1.434 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 33 8.234 3.395 -3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.816 4.577 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.150 3.024 -2.480 1.00 0.00 H new ATOM 0 HG CYS A 33 7.437 1.864 -0.030 1.00 0.00 H new ATOM 446 N GLU A 34 9.913 4.934 -2.695 1.00 0.00 N ATOM 447 CA GLU A 34 11.006 5.765 -2.205 1.00 0.00 C ATOM 448 C GLU A 34 10.546 6.641 -1.043 1.00 0.00 C ATOM 449 O GLU A 34 9.351 6.878 -0.866 1.00 0.00 O ATOM 450 CB GLU A 34 11.556 6.641 -3.332 1.00 0.00 C ATOM 451 CG GLU A 34 12.553 5.925 -4.228 1.00 0.00 C ATOM 452 CD GLU A 34 13.292 6.873 -5.152 1.00 0.00 C ATOM 453 OE1 GLU A 34 12.634 7.740 -5.764 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.530 6.747 -5.264 1.00 0.00 O ATOM 0 H GLU A 34 9.564 5.196 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 34 11.797 5.105 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.726 6.999 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.035 7.518 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.274 5.391 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.029 5.178 -4.824 1.00 0.00 H new ATOM 461 N VAL A 35 11.503 7.120 -0.255 1.00 0.00 N ATOM 462 CA VAL A 35 11.196 7.970 0.889 1.00 0.00 C ATOM 463 C VAL A 35 12.198 9.114 1.007 1.00 0.00 C ATOM 464 O VAL A 35 13.408 8.901 0.950 1.00 0.00 O ATOM 465 CB VAL A 35 11.195 7.166 2.202 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.921 6.343 2.324 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.425 6.273 2.281 1.00 0.00 C ATOM 0 H VAL A 35 12.497 6.934 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 35 10.199 8.378 0.722 1.00 0.00 H new ATOM 0 HB VAL A 35 11.228 7.867 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.939 5.782 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.057 7.007 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.854 5.650 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.408 5.712 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.425 5.579 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.324 6.888 2.243 1.00 0.00 H new ATOM 477 N ALA A 36 11.684 10.328 1.174 1.00 0.00 N ATOM 478 CA ALA A 36 12.533 11.506 1.303 1.00 0.00 C ATOM 479 C ALA A 36 13.563 11.321 2.413 1.00 0.00 C ATOM 480 O ALA A 36 14.609 11.968 2.414 1.00 0.00 O ATOM 481 CB ALA A 36 11.686 12.741 1.567 1.00 0.00 C ATOM 0 H ALA A 36 10.684 10.522 1.223 1.00 0.00 H new ATOM 0 HA ALA A 36 13.069 11.641 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.333 13.613 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.993 12.891 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.123 12.606 2.491 1.00 0.00 H new ATOM 487 N GLN A 37 13.257 10.436 3.356 1.00 0.00 N ATOM 488 CA GLN A 37 14.156 10.168 4.472 1.00 0.00 C ATOM 489 C GLN A 37 14.010 8.729 4.956 1.00 0.00 C ATOM 490 O GLN A 37 12.898 8.219 5.089 1.00 0.00 O ATOM 491 CB GLN A 37 13.877 11.136 5.623 1.00 0.00 C ATOM 492 CG GLN A 37 14.003 12.600 5.231 1.00 0.00 C ATOM 493 CD GLN A 37 15.440 13.018 4.990 1.00 0.00 C ATOM 494 OE1 GLN A 37 16.169 12.371 4.237 1.00 0.00 O ATOM 495 NE2 GLN A 37 15.855 14.105 5.629 1.00 0.00 N ATOM 0 H GLN A 37 12.394 9.893 3.369 1.00 0.00 H new ATOM 0 HA GLN A 37 15.179 10.313 4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.871 10.955 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.569 10.926 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.419 12.782 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.575 13.221 6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.217 14.610 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.812 14.435 5.506 1.00 0.00 H new ATOM 504 N ALA A 38 15.140 8.080 5.217 1.00 0.00 N ATOM 505 CA ALA A 38 15.138 6.701 5.688 1.00 0.00 C ATOM 506 C ALA A 38 14.674 6.616 7.138 1.00 0.00 C ATOM 507 O ALA A 38 13.643 6.015 7.435 1.00 0.00 O ATOM 508 CB ALA A 38 16.523 6.090 5.538 1.00 0.00 C ATOM 0 H ALA A 38 16.069 8.488 5.110 1.00 0.00 H new ATOM 0 HA ALA A 38 14.435 6.136 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.507 5.060 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.816 6.107 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.240 6.665 6.124 1.00 0.00 H new ATOM 514 N GLN A 39 15.444 7.222 8.036 1.00 0.00 N ATOM 515 CA GLN A 39 15.112 7.213 9.456 1.00 0.00 C ATOM 516 C GLN A 39 13.602 7.284 9.662 1.00 0.00 C ATOM 517 O GLN A 39 13.059 6.664 10.577 1.00 0.00 O ATOM 518 CB GLN A 39 15.792 8.384 10.168 1.00 0.00 C ATOM 519 CG GLN A 39 15.344 9.746 9.662 1.00 0.00 C ATOM 520 CD GLN A 39 16.072 10.889 10.343 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.288 10.868 11.555 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.455 11.894 9.564 1.00 0.00 N ATOM 0 H GLN A 39 16.301 7.725 7.806 1.00 0.00 H new ATOM 0 HA GLN A 39 15.475 6.278 9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.587 8.317 11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.871 8.297 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.511 9.803 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.272 9.855 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.255 11.869 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.950 12.691 9.965 1.00 0.00 H new ATOM 531 N THR A 40 12.928 8.046 8.806 1.00 0.00 N ATOM 532 CA THR A 40 11.482 8.200 8.895 1.00 0.00 C ATOM 533 C THR A 40 10.784 6.845 8.914 1.00 0.00 C ATOM 534 O THR A 40 11.279 5.874 8.342 1.00 0.00 O ATOM 535 CB THR A 40 10.932 9.031 7.721 1.00 0.00 C ATOM 536 OG1 THR A 40 11.502 10.344 7.741 1.00 0.00 O ATOM 537 CG2 THR A 40 9.415 9.130 7.791 1.00 0.00 C ATOM 0 H THR A 40 13.361 8.566 8.043 1.00 0.00 H new ATOM 0 HA THR A 40 11.278 8.724 9.829 1.00 0.00 H new ATOM 0 HB THR A 40 11.205 8.531 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.035 10.913 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.050 9.722 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.983 8.130 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.124 9.609 8.726 1.00 0.00 H new ATOM 545 N GLU A 41 9.633 6.786 9.576 1.00 0.00 N ATOM 546 CA GLU A 41 8.868 5.547 9.669 1.00 0.00 C ATOM 547 C GLU A 41 7.594 5.631 8.833 1.00 0.00 C ATOM 548 O GLU A 41 7.063 6.716 8.597 1.00 0.00 O ATOM 549 CB GLU A 41 8.516 5.248 11.127 1.00 0.00 C ATOM 550 CG GLU A 41 7.494 6.206 11.716 1.00 0.00 C ATOM 551 CD GLU A 41 7.142 5.873 13.152 1.00 0.00 C ATOM 552 OE1 GLU A 41 6.416 4.879 13.370 1.00 0.00 O ATOM 553 OE2 GLU A 41 7.590 6.605 14.059 1.00 0.00 O ATOM 0 H GLU A 41 9.210 7.580 10.056 1.00 0.00 H new ATOM 0 HA GLU A 41 9.485 4.738 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.131 4.231 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.425 5.287 11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.885 7.222 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.589 6.183 11.109 1.00 0.00 H new ATOM 560 N VAL A 42 7.110 4.476 8.387 1.00 0.00 N ATOM 561 CA VAL A 42 5.898 4.417 7.578 1.00 0.00 C ATOM 562 C VAL A 42 4.949 3.338 8.087 1.00 0.00 C ATOM 563 O VAL A 42 5.352 2.440 8.828 1.00 0.00 O ATOM 564 CB VAL A 42 6.225 4.142 6.098 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.413 4.979 5.648 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.492 2.660 5.878 1.00 0.00 C ATOM 0 H VAL A 42 7.538 3.569 8.572 1.00 0.00 H new ATOM 0 HA VAL A 42 5.414 5.390 7.661 1.00 0.00 H new ATOM 0 HB VAL A 42 5.363 4.426 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.629 4.771 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.179 6.037 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.284 4.730 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.721 2.484 4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.337 2.348 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.609 2.086 6.158 1.00 0.00 H new ATOM 576 N THR A 43 3.686 3.430 7.684 1.00 0.00 N ATOM 577 CA THR A 43 2.679 2.462 8.099 1.00 0.00 C ATOM 578 C THR A 43 1.683 2.189 6.977 1.00 0.00 C ATOM 579 O THR A 43 0.853 3.039 6.651 1.00 0.00 O ATOM 580 CB THR A 43 1.912 2.948 9.344 1.00 0.00 C ATOM 581 OG1 THR A 43 2.835 3.299 10.381 1.00 0.00 O ATOM 582 CG2 THR A 43 0.960 1.873 9.847 1.00 0.00 C ATOM 0 H THR A 43 3.336 4.166 7.070 1.00 0.00 H new ATOM 0 HA THR A 43 3.208 1.541 8.344 1.00 0.00 H new ATOM 0 HB THR A 43 1.328 3.825 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.340 3.608 11.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.430 2.239 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.241 1.629 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.526 0.980 10.111 1.00 0.00 H new ATOM 590 N TRP A 44 1.770 1.000 6.392 1.00 0.00 N ATOM 591 CA TRP A 44 0.874 0.616 5.307 1.00 0.00 C ATOM 592 C TRP A 44 -0.566 0.521 5.797 1.00 0.00 C ATOM 593 O TRP A 44 -0.816 0.215 6.963 1.00 0.00 O ATOM 594 CB TRP A 44 1.311 -0.722 4.707 1.00 0.00 C ATOM 595 CG TRP A 44 2.658 -0.667 4.051 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.869 -0.876 4.647 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.929 -0.383 2.674 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.877 -0.739 3.723 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.327 -0.438 2.505 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.128 -0.091 1.567 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.937 -0.209 1.275 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.735 0.136 0.347 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.128 0.075 0.208 1.00 0.00 C ATOM 0 H TRP A 44 2.451 0.286 6.650 1.00 0.00 H new ATOM 0 HA TRP A 44 0.925 1.386 4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.328 -1.476 5.494 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.571 -1.043 3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.013 -1.114 5.691 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.874 -0.844 3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.053 -0.044 1.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.011 -0.254 1.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.125 0.364 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.572 0.256 -0.760 1.00 0.00 H new ATOM 614 N TYR A 45 -1.510 0.786 4.900 1.00 0.00 N ATOM 615 CA TYR A 45 -2.926 0.732 5.243 1.00 0.00 C ATOM 616 C TYR A 45 -3.738 0.109 4.111 1.00 0.00 C ATOM 617 O TYR A 45 -3.798 0.647 3.005 1.00 0.00 O ATOM 618 CB TYR A 45 -3.452 2.136 5.550 1.00 0.00 C ATOM 619 CG TYR A 45 -3.036 2.654 6.908 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.765 2.337 8.047 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.915 3.463 7.052 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.390 2.809 9.290 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.532 3.938 8.291 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.272 3.609 9.407 1.00 0.00 C ATOM 625 OH TYR A 45 -1.894 4.082 10.642 1.00 0.00 O ATOM 0 H TYR A 45 -1.320 1.040 3.931 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.035 0.108 6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.096 2.824 4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.540 2.128 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.640 1.711 7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.334 3.725 6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.969 2.553 10.165 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.657 4.564 8.385 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.086 4.629 10.550 1.00 0.00 H new ATOM 635 N LYS A 46 -4.361 -1.029 4.396 1.00 0.00 N ATOM 636 CA LYS A 46 -5.172 -1.727 3.405 1.00 0.00 C ATOM 637 C LYS A 46 -6.634 -1.305 3.504 1.00 0.00 C ATOM 638 O LYS A 46 -7.235 -1.360 4.578 1.00 0.00 O ATOM 639 CB LYS A 46 -5.052 -3.241 3.593 1.00 0.00 C ATOM 640 CG LYS A 46 -5.680 -4.045 2.467 1.00 0.00 C ATOM 641 CD LYS A 46 -5.207 -5.488 2.483 1.00 0.00 C ATOM 642 CE LYS A 46 -5.963 -6.333 1.469 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.255 -6.832 2.016 1.00 0.00 N ATOM 0 H LYS A 46 -4.320 -1.488 5.306 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.802 -1.460 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.998 -3.506 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.524 -3.520 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.766 -4.016 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.429 -3.589 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.140 -5.525 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.343 -5.906 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.152 -5.742 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.345 -7.179 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.557 -7.671 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.134 -7.085 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.978 -6.089 1.932 1.00 0.00 H new ATOM 657 N ASP A 47 -7.202 -0.887 2.378 1.00 0.00 N ATOM 658 CA ASP A 47 -8.596 -0.459 2.338 1.00 0.00 C ATOM 659 C ASP A 47 -8.936 0.400 3.552 1.00 0.00 C ATOM 660 O ASP A 47 -9.993 0.243 4.160 1.00 0.00 O ATOM 661 CB ASP A 47 -9.523 -1.674 2.282 1.00 0.00 C ATOM 662 CG ASP A 47 -10.988 -1.284 2.279 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.414 -0.586 1.336 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.709 -1.677 3.221 1.00 0.00 O ATOM 0 H ASP A 47 -6.719 -0.835 1.481 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.741 0.141 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.303 -2.255 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.323 -2.319 3.137 1.00 0.00 H new ATOM 669 N GLY A 48 -8.030 1.310 3.899 1.00 0.00 N ATOM 670 CA GLY A 48 -8.252 2.179 5.039 1.00 0.00 C ATOM 671 C GLY A 48 -8.174 1.437 6.359 1.00 0.00 C ATOM 672 O GLY A 48 -8.921 1.733 7.292 1.00 0.00 O ATOM 0 H GLY A 48 -7.147 1.460 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.512 2.979 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.231 2.650 4.948 1.00 0.00 H new ATOM 676 N LYS A 49 -7.269 0.468 6.438 1.00 0.00 N ATOM 677 CA LYS A 49 -7.096 -0.321 7.652 1.00 0.00 C ATOM 678 C LYS A 49 -5.617 -0.549 7.947 1.00 0.00 C ATOM 679 O LYS A 49 -4.853 -0.951 7.069 1.00 0.00 O ATOM 680 CB LYS A 49 -7.814 -1.666 7.518 1.00 0.00 C ATOM 681 CG LYS A 49 -9.310 -1.537 7.292 1.00 0.00 C ATOM 682 CD LYS A 49 -10.057 -1.343 8.601 1.00 0.00 C ATOM 683 CE LYS A 49 -10.162 -2.645 9.381 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.309 -2.405 10.844 1.00 0.00 N ATOM 0 H LYS A 49 -6.643 0.210 5.675 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.532 0.235 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.376 -2.221 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.641 -2.252 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.508 -0.693 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.681 -2.430 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.544 -0.595 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.056 -0.958 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.016 -3.217 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.273 -3.250 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.377 -3.316 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.482 -1.881 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.171 -1.850 11.020 1.00 0.00 H new ATOM 698 N LYS A 50 -5.219 -0.290 9.188 1.00 0.00 N ATOM 699 CA LYS A 50 -3.832 -0.470 9.600 1.00 0.00 C ATOM 700 C LYS A 50 -3.382 -1.911 9.384 1.00 0.00 C ATOM 701 O LYS A 50 -3.954 -2.842 9.952 1.00 0.00 O ATOM 702 CB LYS A 50 -3.662 -0.087 11.072 1.00 0.00 C ATOM 703 CG LYS A 50 -2.228 0.234 11.455 1.00 0.00 C ATOM 704 CD LYS A 50 -2.127 0.697 12.899 1.00 0.00 C ATOM 705 CE LYS A 50 -0.775 1.333 13.187 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.508 1.429 14.649 1.00 0.00 N ATOM 0 H LYS A 50 -5.838 0.045 9.926 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.210 0.182 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.289 0.778 11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.021 -0.906 11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.605 -0.649 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.839 1.010 10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.920 1.415 13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.281 -0.151 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.011 0.746 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.740 2.329 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.422 1.867 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.244 2.010 15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.516 0.477 15.067 1.00 0.00 H new ATOM 720 N LEU A 51 -2.355 -2.088 8.561 1.00 0.00 N ATOM 721 CA LEU A 51 -1.827 -3.417 8.271 1.00 0.00 C ATOM 722 C LEU A 51 -0.857 -3.867 9.359 1.00 0.00 C ATOM 723 O LEU A 51 -0.541 -3.108 10.276 1.00 0.00 O ATOM 724 CB LEU A 51 -1.125 -3.423 6.912 1.00 0.00 C ATOM 725 CG LEU A 51 -2.037 -3.366 5.686 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.332 -2.675 4.528 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.479 -4.766 5.284 1.00 0.00 C ATOM 0 H LEU A 51 -1.871 -1.328 8.082 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.663 -4.115 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.444 -2.573 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.515 -4.324 6.845 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.924 -2.786 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.996 -2.644 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.066 -1.659 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.428 -3.227 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.127 -4.706 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.603 -5.370 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.023 -5.226 6.108 1.00 0.00 H new ATOM 739 N SER A 52 -0.386 -5.105 9.249 1.00 0.00 N ATOM 740 CA SER A 52 0.548 -5.657 10.225 1.00 0.00 C ATOM 741 C SER A 52 1.442 -6.713 9.583 1.00 0.00 C ATOM 742 O SER A 52 0.957 -7.663 8.968 1.00 0.00 O ATOM 743 CB SER A 52 -0.214 -6.265 11.404 1.00 0.00 C ATOM 744 OG SER A 52 0.613 -6.361 12.550 1.00 0.00 O ATOM 0 H SER A 52 -0.635 -5.745 8.495 1.00 0.00 H new ATOM 0 HA SER A 52 1.178 -4.845 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.087 -5.653 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.581 -7.255 11.132 1.00 0.00 H new ATOM 0 HG SER A 52 0.102 -6.751 13.290 1.00 0.00 H new ATOM 750 N SER A 53 2.752 -6.540 9.732 1.00 0.00 N ATOM 751 CA SER A 53 3.716 -7.475 9.164 1.00 0.00 C ATOM 752 C SER A 53 3.527 -8.872 9.749 1.00 0.00 C ATOM 753 O SER A 53 4.063 -9.190 10.810 1.00 0.00 O ATOM 754 CB SER A 53 5.143 -6.990 9.424 1.00 0.00 C ATOM 755 OG SER A 53 6.076 -7.698 8.626 1.00 0.00 O ATOM 0 H SER A 53 3.170 -5.761 10.241 1.00 0.00 H new ATOM 0 HA SER A 53 3.547 -7.524 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.212 -5.923 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.388 -7.120 10.478 1.00 0.00 H new ATOM 0 HG SER A 53 6.980 -7.368 8.810 1.00 0.00 H new ATOM 761 N SER A 54 2.760 -9.701 9.049 1.00 0.00 N ATOM 762 CA SER A 54 2.496 -11.063 9.499 1.00 0.00 C ATOM 763 C SER A 54 3.184 -12.078 8.592 1.00 0.00 C ATOM 764 O SER A 54 3.661 -11.737 7.510 1.00 0.00 O ATOM 765 CB SER A 54 0.989 -11.329 9.530 1.00 0.00 C ATOM 766 OG SER A 54 0.493 -11.605 8.232 1.00 0.00 O ATOM 0 H SER A 54 2.310 -9.454 8.168 1.00 0.00 H new ATOM 0 HA SER A 54 2.898 -11.171 10.506 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.779 -12.171 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.472 -10.463 9.944 1.00 0.00 H new ATOM 0 HG SER A 54 -0.471 -11.773 8.279 1.00 0.00 H new ATOM 772 N SER A 55 3.233 -13.327 9.043 1.00 0.00 N ATOM 773 CA SER A 55 3.866 -14.393 8.276 1.00 0.00 C ATOM 774 C SER A 55 3.629 -14.201 6.781 1.00 0.00 C ATOM 775 O SER A 55 4.492 -14.506 5.958 1.00 0.00 O ATOM 776 CB SER A 55 3.331 -15.756 8.718 1.00 0.00 C ATOM 777 OG SER A 55 3.907 -16.156 9.949 1.00 0.00 O ATOM 0 H SER A 55 2.842 -13.626 9.936 1.00 0.00 H new ATOM 0 HA SER A 55 4.939 -14.354 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.247 -15.709 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.548 -16.501 7.952 1.00 0.00 H new ATOM 0 HG SER A 55 3.547 -17.029 10.210 1.00 0.00 H new ATOM 783 N LYS A 56 2.450 -13.693 6.436 1.00 0.00 N ATOM 784 CA LYS A 56 2.097 -13.457 5.041 1.00 0.00 C ATOM 785 C LYS A 56 2.700 -12.150 4.540 1.00 0.00 C ATOM 786 O LYS A 56 3.563 -12.149 3.662 1.00 0.00 O ATOM 787 CB LYS A 56 0.575 -13.425 4.878 1.00 0.00 C ATOM 788 CG LYS A 56 0.122 -13.217 3.444 1.00 0.00 C ATOM 789 CD LYS A 56 -1.347 -12.833 3.373 1.00 0.00 C ATOM 790 CE LYS A 56 -2.241 -14.062 3.294 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.678 -13.714 3.467 1.00 0.00 N ATOM 0 H LYS A 56 1.723 -13.437 7.104 1.00 0.00 H new ATOM 0 HA LYS A 56 2.504 -14.275 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.158 -14.361 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.168 -12.626 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.726 -12.437 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.288 -14.130 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.613 -12.244 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.517 -12.201 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.100 -14.553 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.945 -14.776 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.256 -14.300 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.961 -13.888 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.822 -12.710 3.238 1.00 0.00 H new ATOM 805 N VAL A 57 2.242 -11.037 5.105 1.00 0.00 N ATOM 806 CA VAL A 57 2.739 -9.722 4.717 1.00 0.00 C ATOM 807 C VAL A 57 3.978 -9.344 5.520 1.00 0.00 C ATOM 808 O VAL A 57 3.995 -9.462 6.746 1.00 0.00 O ATOM 809 CB VAL A 57 1.664 -8.636 4.910 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.175 -7.287 4.428 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.383 -9.020 4.184 1.00 0.00 C ATOM 0 H VAL A 57 1.528 -11.020 5.833 1.00 0.00 H new ATOM 0 HA VAL A 57 2.999 -9.781 3.660 1.00 0.00 H new ATOM 0 HB VAL A 57 1.442 -8.554 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.402 -6.532 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.063 -7.010 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.427 -7.350 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.366 -8.242 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.587 -9.130 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.008 -9.963 4.581 1.00 0.00 H new ATOM 821 N ARG A 58 5.012 -8.887 4.822 1.00 0.00 N ATOM 822 CA ARG A 58 6.257 -8.491 5.471 1.00 0.00 C ATOM 823 C ARG A 58 6.650 -7.072 5.073 1.00 0.00 C ATOM 824 O ARG A 58 6.821 -6.772 3.891 1.00 0.00 O ATOM 825 CB ARG A 58 7.379 -9.464 5.105 1.00 0.00 C ATOM 826 CG ARG A 58 8.749 -9.028 5.600 1.00 0.00 C ATOM 827 CD ARG A 58 9.775 -10.140 5.450 1.00 0.00 C ATOM 828 NE ARG A 58 9.808 -11.015 6.618 1.00 0.00 N ATOM 829 CZ ARG A 58 10.565 -12.104 6.699 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.348 -12.448 5.686 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.540 -12.851 7.796 1.00 0.00 N ATOM 0 H ARG A 58 5.013 -8.782 3.807 1.00 0.00 H new ATOM 0 HA ARG A 58 6.100 -8.517 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.147 -10.445 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.412 -9.576 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.077 -8.151 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.682 -8.732 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.544 -10.729 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.762 -9.704 5.296 1.00 0.00 H new ATOM 0 HE ARG A 58 9.218 -10.778 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.370 -11.876 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.928 -13.284 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.939 -12.589 8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.121 -13.687 7.857 1.00 0.00 H new ATOM 845 N VAL A 59 6.791 -6.201 6.068 1.00 0.00 N ATOM 846 CA VAL A 59 7.164 -4.813 5.822 1.00 0.00 C ATOM 847 C VAL A 59 8.676 -4.631 5.890 1.00 0.00 C ATOM 848 O VAL A 59 9.258 -4.592 6.974 1.00 0.00 O ATOM 849 CB VAL A 59 6.497 -3.865 6.836 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.897 -2.423 6.561 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.985 -4.024 6.799 1.00 0.00 C ATOM 0 H VAL A 59 6.652 -6.432 7.052 1.00 0.00 H new ATOM 0 HA VAL A 59 6.816 -4.564 4.820 1.00 0.00 H new ATOM 0 HB VAL A 59 6.842 -4.129 7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.416 -1.767 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.979 -2.324 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.582 -2.144 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.530 -3.347 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.619 -3.788 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.721 -5.052 7.049 1.00 0.00 H new ATOM 861 N GLU A 60 9.306 -4.518 4.725 1.00 0.00 N ATOM 862 CA GLU A 60 10.751 -4.340 4.653 1.00 0.00 C ATOM 863 C GLU A 60 11.109 -2.867 4.470 1.00 0.00 C ATOM 864 O GLU A 60 10.461 -2.150 3.710 1.00 0.00 O ATOM 865 CB GLU A 60 11.333 -5.164 3.502 1.00 0.00 C ATOM 866 CG GLU A 60 11.724 -6.576 3.902 1.00 0.00 C ATOM 867 CD GLU A 60 12.830 -7.143 3.034 1.00 0.00 C ATOM 868 OE1 GLU A 60 12.520 -7.676 1.949 1.00 0.00 O ATOM 869 OE2 GLU A 60 14.008 -7.053 3.441 1.00 0.00 O ATOM 0 H GLU A 60 8.839 -4.547 3.819 1.00 0.00 H new ATOM 0 HA GLU A 60 11.181 -4.687 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.602 -5.213 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.210 -4.651 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.047 -6.578 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.849 -7.223 3.838 1.00 0.00 H new ATOM 876 N ALA A 61 12.146 -2.425 5.174 1.00 0.00 N ATOM 877 CA ALA A 61 12.592 -1.040 5.089 1.00 0.00 C ATOM 878 C ALA A 61 14.085 -0.961 4.788 1.00 0.00 C ATOM 879 O ALA A 61 14.912 -0.942 5.699 1.00 0.00 O ATOM 880 CB ALA A 61 12.273 -0.302 6.381 1.00 0.00 C ATOM 0 H ALA A 61 12.693 -3.006 5.809 1.00 0.00 H new ATOM 0 HA ALA A 61 12.057 -0.562 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.612 0.731 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.197 -0.319 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.782 -0.789 7.213 1.00 0.00 H new ATOM 886 N VAL A 62 14.423 -0.916 3.503 1.00 0.00 N ATOM 887 CA VAL A 62 15.817 -0.839 3.082 1.00 0.00 C ATOM 888 C VAL A 62 16.224 0.601 2.789 1.00 0.00 C ATOM 889 O VAL A 62 15.423 1.524 2.930 1.00 0.00 O ATOM 890 CB VAL A 62 16.073 -1.698 1.830 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.276 -3.156 2.215 1.00 0.00 C ATOM 892 CG2 VAL A 62 14.926 -1.554 0.841 1.00 0.00 C ATOM 0 H VAL A 62 13.751 -0.932 2.736 1.00 0.00 H new ATOM 0 HA VAL A 62 16.418 -1.223 3.906 1.00 0.00 H new ATOM 0 HB VAL A 62 16.984 -1.344 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.456 -3.748 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.134 -3.240 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.384 -3.526 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.124 -2.168 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.998 -1.880 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.833 -0.510 0.541 1.00 0.00 H new ATOM 902 N GLY A 63 17.475 0.785 2.379 1.00 0.00 N ATOM 903 CA GLY A 63 17.967 2.115 2.071 1.00 0.00 C ATOM 904 C GLY A 63 16.909 2.991 1.429 1.00 0.00 C ATOM 905 O GLY A 63 16.545 2.788 0.270 1.00 0.00 O ATOM 0 H GLY A 63 18.157 0.037 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.320 2.589 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.824 2.036 1.402 1.00 0.00 H new ATOM 909 N CYS A 64 16.412 3.965 2.184 1.00 0.00 N ATOM 910 CA CYS A 64 15.387 4.873 1.682 1.00 0.00 C ATOM 911 C CYS A 64 14.445 4.153 0.723 1.00 0.00 C ATOM 912 O CYS A 64 14.150 4.649 -0.365 1.00 0.00 O ATOM 913 CB CYS A 64 16.034 6.068 0.980 1.00 0.00 C ATOM 914 SG CYS A 64 16.710 7.309 2.107 1.00 0.00 S ATOM 0 H CYS A 64 16.702 4.146 3.145 1.00 0.00 H new ATOM 0 HA CYS A 64 14.806 5.231 2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.833 5.706 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.293 6.542 0.336 1.00 0.00 H new ATOM 0 HG CYS A 64 17.759 6.827 2.705 1.00 0.00 H new ATOM 920 N THR A 65 13.976 2.979 1.133 1.00 0.00 N ATOM 921 CA THR A 65 13.069 2.188 0.309 1.00 0.00 C ATOM 922 C THR A 65 12.191 1.286 1.169 1.00 0.00 C ATOM 923 O THR A 65 12.692 0.449 1.919 1.00 0.00 O ATOM 924 CB THR A 65 13.841 1.321 -0.703 1.00 0.00 C ATOM 925 OG1 THR A 65 14.290 2.128 -1.797 1.00 0.00 O ATOM 926 CG2 THR A 65 12.967 0.190 -1.224 1.00 0.00 C ATOM 0 H THR A 65 14.209 2.554 2.031 1.00 0.00 H new ATOM 0 HA THR A 65 12.439 2.893 -0.234 1.00 0.00 H new ATOM 0 HB THR A 65 14.703 0.888 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.212 3.075 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.534 -0.409 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.652 -0.439 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.089 0.606 -1.717 1.00 0.00 H new ATOM 934 N ARG A 66 10.879 1.462 1.054 1.00 0.00 N ATOM 935 CA ARG A 66 9.931 0.663 1.821 1.00 0.00 C ATOM 936 C ARG A 66 9.158 -0.287 0.911 1.00 0.00 C ATOM 937 O ARG A 66 8.311 0.141 0.126 1.00 0.00 O ATOM 938 CB ARG A 66 8.956 1.572 2.572 1.00 0.00 C ATOM 939 CG ARG A 66 9.642 2.621 3.433 1.00 0.00 C ATOM 940 CD ARG A 66 10.219 2.011 4.701 1.00 0.00 C ATOM 941 NE ARG A 66 11.020 2.971 5.455 1.00 0.00 N ATOM 942 CZ ARG A 66 12.271 3.291 5.143 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.860 2.730 4.096 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.934 4.174 5.878 1.00 0.00 N ATOM 0 H ARG A 66 10.448 2.151 0.437 1.00 0.00 H new ATOM 0 HA ARG A 66 10.494 0.070 2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.310 2.072 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.314 0.959 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.439 3.097 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.928 3.401 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.407 1.644 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.835 1.150 4.441 1.00 0.00 H new ATOM 0 HE ARG A 66 10.596 3.421 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.353 2.051 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.821 2.977 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.483 4.608 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.895 4.419 5.638 1.00 0.00 H new ATOM 958 N ARG A 67 9.456 -1.577 1.021 1.00 0.00 N ATOM 959 CA ARG A 67 8.791 -2.587 0.206 1.00 0.00 C ATOM 960 C ARG A 67 7.889 -3.469 1.064 1.00 0.00 C ATOM 961 O ARG A 67 8.211 -3.774 2.214 1.00 0.00 O ATOM 962 CB ARG A 67 9.825 -3.450 -0.519 1.00 0.00 C ATOM 963 CG ARG A 67 10.652 -4.322 0.411 1.00 0.00 C ATOM 964 CD ARG A 67 11.936 -4.788 -0.257 1.00 0.00 C ATOM 965 NE ARG A 67 11.677 -5.731 -1.341 1.00 0.00 N ATOM 966 CZ ARG A 67 12.602 -6.537 -1.850 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.840 -6.515 -1.375 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.290 -7.368 -2.836 1.00 0.00 N ATOM 0 H ARG A 67 10.153 -1.948 1.666 1.00 0.00 H new ATOM 0 HA ARG A 67 8.174 -2.074 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.312 -4.087 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.494 -2.802 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.893 -3.764 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.065 -5.188 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.475 -3.925 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.581 -5.257 0.485 1.00 0.00 H new ATOM 0 HE ARG A 67 10.734 -5.773 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.084 -5.878 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.548 -7.135 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.339 -7.388 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.001 -7.986 -3.226 1.00 0.00 H new ATOM 982 N LEU A 68 6.758 -3.877 0.499 1.00 0.00 N ATOM 983 CA LEU A 68 5.808 -4.724 1.212 1.00 0.00 C ATOM 984 C LEU A 68 5.631 -6.062 0.501 1.00 0.00 C ATOM 985 O LEU A 68 4.874 -6.169 -0.464 1.00 0.00 O ATOM 986 CB LEU A 68 4.457 -4.017 1.336 1.00 0.00 C ATOM 987 CG LEU A 68 3.478 -4.614 2.347 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.669 -3.977 3.715 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.044 -4.436 1.870 1.00 0.00 C ATOM 0 H LEU A 68 6.476 -3.635 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 68 6.205 -4.913 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.637 -2.976 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.980 -4.014 0.356 1.00 0.00 H new ATOM 0 HG LEU A 68 3.681 -5.681 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.964 -4.414 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.687 -4.156 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.493 -2.904 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.361 -4.867 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.828 -3.374 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.914 -4.940 0.912 1.00 0.00 H new ATOM 1001 N VAL A 69 6.334 -7.081 0.985 1.00 0.00 N ATOM 1002 CA VAL A 69 6.252 -8.413 0.399 1.00 0.00 C ATOM 1003 C VAL A 69 5.017 -9.157 0.894 1.00 0.00 C ATOM 1004 O VAL A 69 4.891 -9.451 2.083 1.00 0.00 O ATOM 1005 CB VAL A 69 7.505 -9.247 0.724 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.391 -10.640 0.122 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.758 -8.543 0.224 1.00 0.00 C ATOM 0 H VAL A 69 6.967 -7.009 1.782 1.00 0.00 H new ATOM 0 HA VAL A 69 6.183 -8.280 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 69 7.580 -9.350 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.286 -11.214 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.516 -11.143 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.290 -10.561 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.634 -9.146 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.693 -8.408 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.846 -7.570 0.707 1.00 0.00 H new ATOM 1017 N VAL A 70 4.107 -9.461 -0.026 1.00 0.00 N ATOM 1018 CA VAL A 70 2.881 -10.172 0.317 1.00 0.00 C ATOM 1019 C VAL A 70 2.940 -11.623 -0.148 1.00 0.00 C ATOM 1020 O VAL A 70 2.755 -11.915 -1.329 1.00 0.00 O ATOM 1021 CB VAL A 70 1.646 -9.495 -0.306 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.385 -10.279 0.022 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.529 -8.056 0.173 1.00 0.00 C ATOM 0 H VAL A 70 4.196 -9.226 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 70 2.792 -10.144 1.403 1.00 0.00 H new ATOM 0 HB VAL A 70 1.767 -9.484 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.477 -9.786 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.472 -11.290 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.255 -10.324 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.651 -7.593 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.431 -8.041 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.421 -7.502 -0.119 1.00 0.00 H new ATOM 1033 N GLN A 71 3.200 -12.529 0.790 1.00 0.00 N ATOM 1034 CA GLN A 71 3.284 -13.950 0.476 1.00 0.00 C ATOM 1035 C GLN A 71 1.906 -14.519 0.155 1.00 0.00 C ATOM 1036 O GLN A 71 0.900 -14.087 0.717 1.00 0.00 O ATOM 1037 CB GLN A 71 3.905 -14.717 1.645 1.00 0.00 C ATOM 1038 CG GLN A 71 5.260 -14.177 2.075 1.00 0.00 C ATOM 1039 CD GLN A 71 5.884 -14.991 3.192 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.365 -16.039 3.577 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.005 -14.512 3.718 1.00 0.00 N ATOM 0 H GLN A 71 3.356 -12.304 1.773 1.00 0.00 H new ATOM 0 HA GLN A 71 3.919 -14.065 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.223 -14.683 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.013 -15.765 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.932 -14.168 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.148 -13.143 2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.400 -13.639 3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.471 -15.017 4.472 1.00 0.00 H new ATOM 1050 N GLN A 72 1.868 -15.489 -0.753 1.00 0.00 N ATOM 1051 CA GLN A 72 0.613 -16.116 -1.149 1.00 0.00 C ATOM 1052 C GLN A 72 -0.443 -15.063 -1.472 1.00 0.00 C ATOM 1053 O GLN A 72 -1.562 -15.116 -0.963 1.00 0.00 O ATOM 1054 CB GLN A 72 0.106 -17.039 -0.039 1.00 0.00 C ATOM 1055 CG GLN A 72 0.636 -18.460 -0.142 1.00 0.00 C ATOM 1056 CD GLN A 72 -0.078 -19.418 0.792 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.289 -19.115 1.967 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -0.455 -20.580 0.274 1.00 0.00 N ATOM 0 H GLN A 72 2.692 -15.858 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 72 0.799 -16.707 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.391 -16.623 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.983 -17.063 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.528 -18.811 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.702 -18.464 0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.260 -20.789 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.940 -21.264 0.855 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.078 -14.108 -2.321 1.00 0.00 N ATOM 1068 CA ALA A 73 -0.994 -13.044 -2.713 1.00 0.00 C ATOM 1069 C ALA A 73 -2.272 -13.615 -3.318 1.00 0.00 C ATOM 1070 O ALA A 73 -2.289 -14.037 -4.473 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.317 -12.101 -3.697 1.00 0.00 C ATOM 0 H ALA A 73 0.845 -14.049 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.266 -12.484 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.012 -11.311 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.563 -11.659 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.016 -12.657 -4.585 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.342 -13.625 -2.528 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.610 -14.148 -3.003 1.00 0.00 C ATOM 1079 C GLY A 74 -5.687 -13.084 -3.070 1.00 0.00 C ATOM 1080 O GLY A 74 -5.490 -11.963 -2.601 1.00 0.00 O ATOM 0 H GLY A 74 -3.353 -13.280 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.472 -14.584 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.938 -14.952 -2.344 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.828 -13.434 -3.655 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.939 -12.499 -3.783 1.00 0.00 C ATOM 1086 C GLN A 75 -8.020 -11.580 -2.568 1.00 0.00 C ATOM 1087 O GLN A 75 -8.039 -10.357 -2.703 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.256 -13.259 -3.951 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.283 -14.167 -5.169 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.589 -13.417 -6.450 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.728 -13.404 -6.919 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.572 -12.786 -7.025 1.00 0.00 N ATOM 0 H GLN A 75 -7.007 -14.358 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.765 -11.887 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.437 -13.857 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.073 -12.541 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.319 -14.666 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.032 -14.945 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.644 -12.823 -6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.718 -12.264 -7.889 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.067 -12.178 -1.382 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.144 -11.413 -0.144 1.00 0.00 C ATOM 1103 C ALA A 76 -7.095 -10.307 -0.115 1.00 0.00 C ATOM 1104 O ALA A 76 -7.425 -9.130 0.021 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.977 -12.334 1.056 1.00 0.00 C ATOM 0 H ALA A 76 -8.053 -13.190 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.127 -10.945 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.037 -11.750 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.768 -13.084 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.007 -12.829 1.003 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.830 -10.695 -0.244 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.732 -9.735 -0.231 1.00 0.00 C ATOM 1113 C GLU A 77 -4.936 -8.662 -1.296 1.00 0.00 C ATOM 1114 O GLU A 77 -4.647 -7.487 -1.072 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.398 -10.448 -0.458 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.862 -11.147 0.780 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.081 -10.341 2.046 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.166 -10.470 2.650 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -2.169 -9.580 2.431 1.00 0.00 O ATOM 0 H GLU A 77 -5.540 -11.666 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.716 -9.254 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.519 -11.182 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.662 -9.722 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.347 -12.118 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.796 -11.335 0.653 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.435 -9.075 -2.456 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.678 -8.150 -3.556 1.00 0.00 C ATOM 1128 C ALA A 78 -6.535 -6.973 -3.104 1.00 0.00 C ATOM 1129 O ALA A 78 -7.560 -7.154 -2.448 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.344 -8.874 -4.717 1.00 0.00 C ATOM 0 H ALA A 78 -5.679 -10.044 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.716 -7.759 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.520 -8.171 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.695 -9.678 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.295 -9.292 -4.387 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.107 -5.765 -3.458 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.846 -4.575 -3.078 1.00 0.00 C ATOM 1138 C GLY A 79 -6.065 -3.301 -3.334 1.00 0.00 C ATOM 1139 O GLY A 79 -5.367 -3.185 -4.341 1.00 0.00 O ATOM 0 H GLY A 79 -5.262 -5.589 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.783 -4.541 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.104 -4.633 -2.020 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.184 -2.342 -2.420 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.485 -1.070 -2.554 1.00 0.00 C ATOM 1145 C GLU A 80 -4.785 -0.694 -1.251 1.00 0.00 C ATOM 1146 O GLU A 80 -5.427 -0.275 -0.287 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.463 0.035 -2.957 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.703 0.119 -4.455 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.800 1.102 -4.817 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.563 2.323 -4.700 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.894 0.651 -5.216 1.00 0.00 O ATOM 0 H GLU A 80 -6.757 -2.422 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.731 -1.180 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.415 -0.133 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.081 0.993 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.778 0.414 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.967 -0.869 -4.833 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.466 -0.847 -1.229 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.678 -0.527 -0.045 1.00 0.00 C ATOM 1160 C TYR A 81 -2.344 0.961 0.001 1.00 0.00 C ATOM 1161 O TYR A 81 -2.414 1.656 -1.012 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.390 -1.351 -0.025 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.622 -2.832 0.175 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.283 -3.587 -0.786 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.182 -3.476 1.325 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.498 -4.940 -0.608 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.392 -4.828 1.511 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.050 -5.556 0.542 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.262 -6.904 0.724 1.00 0.00 O ATOM 0 H TYR A 81 -2.919 -1.191 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.273 -0.775 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.857 -1.199 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.745 -0.982 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.635 -3.108 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.667 -2.909 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.014 -5.512 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.043 -5.313 2.411 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.024 -7.192 0.179 1.00 0.00 H new ATOM 1179 N SER A 82 -1.979 1.443 1.185 1.00 0.00 N ATOM 1180 CA SER A 82 -1.636 2.848 1.366 1.00 0.00 C ATOM 1181 C SER A 82 -0.495 3.005 2.367 1.00 0.00 C ATOM 1182 O SER A 82 -0.667 2.767 3.563 1.00 0.00 O ATOM 1183 CB SER A 82 -2.858 3.636 1.842 1.00 0.00 C ATOM 1184 OG SER A 82 -3.956 3.453 0.966 1.00 0.00 O ATOM 0 H SER A 82 -1.913 0.880 2.033 1.00 0.00 H new ATOM 0 HA SER A 82 -1.309 3.243 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.133 3.315 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.610 4.696 1.903 1.00 0.00 H new ATOM 0 HG SER A 82 -4.724 3.966 1.293 1.00 0.00 H new ATOM 1190 N CYS A 83 0.669 3.406 1.868 1.00 0.00 N ATOM 1191 CA CYS A 83 1.840 3.593 2.717 1.00 0.00 C ATOM 1192 C CYS A 83 1.862 4.998 3.311 1.00 0.00 C ATOM 1193 O CYS A 83 2.343 5.940 2.682 1.00 0.00 O ATOM 1194 CB CYS A 83 3.120 3.344 1.918 1.00 0.00 C ATOM 1195 SG CYS A 83 4.639 3.518 2.884 1.00 0.00 S ATOM 0 H CYS A 83 0.827 3.608 0.881 1.00 0.00 H new ATOM 0 HA CYS A 83 1.785 2.874 3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.083 2.339 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.153 4.040 1.080 1.00 0.00 H new ATOM 0 HG CYS A 83 5.668 3.393 2.100 1.00 0.00 H new ATOM 1201 N GLU A 84 1.337 5.130 4.525 1.00 0.00 N ATOM 1202 CA GLU A 84 1.294 6.421 5.202 1.00 0.00 C ATOM 1203 C GLU A 84 2.631 6.730 5.870 1.00 0.00 C ATOM 1204 O GLU A 84 3.396 5.824 6.198 1.00 0.00 O ATOM 1205 CB GLU A 84 0.174 6.438 6.244 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.356 7.830 6.545 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.004 7.925 7.913 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.654 7.109 8.792 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -1.859 8.814 8.105 1.00 0.00 O ATOM 0 H GLU A 84 0.936 4.359 5.060 1.00 0.00 H new ATOM 0 HA GLU A 84 1.096 7.189 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.647 5.814 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.542 5.991 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.463 8.547 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.083 8.111 5.783 1.00 0.00 H new ATOM 1216 N ALA A 85 2.904 8.015 6.067 1.00 0.00 N ATOM 1217 CA ALA A 85 4.147 8.444 6.697 1.00 0.00 C ATOM 1218 C ALA A 85 4.155 9.952 6.924 1.00 0.00 C ATOM 1219 O ALA A 85 4.231 10.732 5.976 1.00 0.00 O ATOM 1220 CB ALA A 85 5.339 8.030 5.847 1.00 0.00 C ATOM 0 H ALA A 85 2.281 8.777 5.800 1.00 0.00 H new ATOM 0 HA ALA A 85 4.221 7.956 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.261 8.357 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.350 6.945 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.261 8.491 4.862 1.00 0.00 H new ATOM 1226 N GLY A 86 4.075 10.355 8.189 1.00 0.00 N ATOM 1227 CA GLY A 86 4.074 11.769 8.518 1.00 0.00 C ATOM 1228 C GLY A 86 2.786 12.457 8.114 1.00 0.00 C ATOM 1229 O GLY A 86 1.804 12.439 8.856 1.00 0.00 O ATOM 0 H GLY A 86 4.011 9.728 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.226 11.889 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.913 12.255 8.021 1.00 0.00 H new ATOM 1233 N GLY A 87 2.788 13.068 6.932 1.00 0.00 N ATOM 1234 CA GLY A 87 1.606 13.759 6.452 1.00 0.00 C ATOM 1235 C GLY A 87 1.284 13.422 5.009 1.00 0.00 C ATOM 1236 O GLY A 87 0.684 14.227 4.298 1.00 0.00 O ATOM 0 H GLY A 87 3.587 13.096 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.755 13.498 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.754 14.835 6.546 1.00 0.00 H new ATOM 1240 N GLN A 88 1.686 12.232 4.577 1.00 0.00 N ATOM 1241 CA GLN A 88 1.438 11.793 3.209 1.00 0.00 C ATOM 1242 C GLN A 88 1.234 10.283 3.150 1.00 0.00 C ATOM 1243 O GLN A 88 1.523 9.570 4.111 1.00 0.00 O ATOM 1244 CB GLN A 88 2.602 12.198 2.303 1.00 0.00 C ATOM 1245 CG GLN A 88 2.683 13.694 2.048 1.00 0.00 C ATOM 1246 CD GLN A 88 3.509 14.034 0.823 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.014 14.646 -0.124 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.777 13.639 0.835 1.00 0.00 N ATOM 0 H GLN A 88 2.185 11.555 5.154 1.00 0.00 H new ATOM 0 HA GLN A 88 0.527 12.278 2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.536 11.864 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.506 11.680 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.676 14.093 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.115 14.184 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.146 13.134 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.381 13.840 0.038 1.00 0.00 H new ATOM 1257 N GLN A 89 0.733 9.802 2.016 1.00 0.00 N ATOM 1258 CA GLN A 89 0.490 8.376 1.833 1.00 0.00 C ATOM 1259 C GLN A 89 0.238 8.051 0.365 1.00 0.00 C ATOM 1260 O GLN A 89 -0.637 8.640 -0.271 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.704 7.929 2.679 1.00 0.00 C ATOM 1262 CG GLN A 89 -2.029 8.518 2.222 1.00 0.00 C ATOM 1263 CD GLN A 89 -3.041 8.619 3.345 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.108 7.752 4.217 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.837 9.682 3.331 1.00 0.00 N ATOM 0 H GLN A 89 0.488 10.379 1.211 1.00 0.00 H new ATOM 0 HA GLN A 89 1.380 7.836 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.771 6.841 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.529 8.212 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.856 9.510 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.440 7.902 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.747 10.377 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.538 9.804 4.062 1.00 0.00 H new ATOM 1274 N LEU A 90 1.010 7.110 -0.168 1.00 0.00 N ATOM 1275 CA LEU A 90 0.871 6.706 -1.563 1.00 0.00 C ATOM 1276 C LEU A 90 -0.024 5.477 -1.687 1.00 0.00 C ATOM 1277 O LEU A 90 -0.137 4.682 -0.754 1.00 0.00 O ATOM 1278 CB LEU A 90 2.244 6.415 -2.169 1.00 0.00 C ATOM 1279 CG LEU A 90 3.291 7.519 -2.022 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.674 6.995 -2.378 1.00 0.00 C ATOM 1281 CD2 LEU A 90 2.932 8.715 -2.891 1.00 0.00 C ATOM 0 H LEU A 90 1.738 6.613 0.344 1.00 0.00 H new ATOM 0 HA LEU A 90 0.407 7.527 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.636 5.507 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.113 6.205 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 90 3.305 7.843 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.406 7.795 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.933 6.171 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.675 6.642 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.689 9.491 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.889 8.406 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.961 9.107 -2.588 1.00 0.00 H new ATOM 1293 N SER A 91 -0.656 5.326 -2.847 1.00 0.00 N ATOM 1294 CA SER A 91 -1.543 4.195 -3.093 1.00 0.00 C ATOM 1295 C SER A 91 -0.812 3.086 -3.845 1.00 0.00 C ATOM 1296 O SER A 91 0.172 3.337 -4.541 1.00 0.00 O ATOM 1297 CB SER A 91 -2.769 4.644 -3.890 1.00 0.00 C ATOM 1298 OG SER A 91 -3.577 3.537 -4.250 1.00 0.00 O ATOM 0 H SER A 91 -0.570 5.973 -3.631 1.00 0.00 H new ATOM 0 HA SER A 91 -1.869 3.804 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.354 5.348 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.449 5.172 -4.788 1.00 0.00 H new ATOM 0 HG SER A 91 -4.355 3.851 -4.757 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.300 1.859 -3.698 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.694 0.711 -4.361 1.00 0.00 C ATOM 1306 C PHE A 92 -1.717 -0.404 -4.561 1.00 0.00 C ATOM 1307 O PHE A 92 -2.086 -1.099 -3.614 1.00 0.00 O ATOM 1308 CB PHE A 92 0.491 0.191 -3.546 1.00 0.00 C ATOM 1309 CG PHE A 92 1.741 1.005 -3.718 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.929 2.171 -2.992 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.728 0.606 -4.605 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.078 2.923 -3.150 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.879 1.354 -4.766 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.055 2.513 -4.037 1.00 0.00 C ATOM 0 H PHE A 92 -2.114 1.634 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.339 1.034 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.218 0.178 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.696 -0.840 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.170 2.495 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.596 -0.300 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.212 3.831 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.640 1.032 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.954 3.098 -4.160 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.171 -0.568 -5.799 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.152 -1.597 -6.124 1.00 0.00 C ATOM 1326 C ARG A 93 -2.467 -2.929 -6.412 1.00 0.00 C ATOM 1327 O ARG A 93 -1.492 -2.989 -7.162 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.989 -1.170 -7.330 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.407 -1.719 -7.313 1.00 0.00 C ATOM 1330 CD ARG A 93 -5.935 -1.941 -8.721 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.563 -0.740 -9.266 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.727 -0.261 -8.840 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.386 -0.878 -7.868 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.234 0.837 -9.385 1.00 0.00 N ATOM 0 H ARG A 93 -1.875 -0.001 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.807 -1.724 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.030 -0.081 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.492 -1.500 -8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.427 -2.660 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.060 -1.026 -6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.116 -2.248 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.658 -2.756 -8.712 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.082 -0.242 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.999 -1.722 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.279 -0.508 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.730 1.315 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.128 1.203 -9.057 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.984 -3.996 -5.812 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.422 -5.329 -6.004 1.00 0.00 C ATOM 1350 C LEU A 94 -3.426 -6.248 -6.693 1.00 0.00 C ATOM 1351 O LEU A 94 -4.474 -6.567 -6.134 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.005 -5.926 -4.659 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.651 -7.414 -4.667 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.514 -7.687 -5.638 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.283 -7.881 -3.266 1.00 0.00 C ATOM 0 H LEU A 94 -3.791 -3.964 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.543 -5.239 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.144 -5.370 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.816 -5.769 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.525 -7.975 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.276 -8.751 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.814 -7.390 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.365 -7.116 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.034 -8.942 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.424 -7.314 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.128 -7.722 -2.596 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.095 -6.672 -7.909 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.967 -7.556 -8.673 1.00 0.00 C ATOM 1369 C GLN A 95 -3.492 -9.002 -8.580 1.00 0.00 C ATOM 1370 O GLN A 95 -2.291 -9.270 -8.528 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.017 -7.117 -10.137 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.833 -5.854 -10.365 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.100 -5.590 -11.834 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.247 -5.059 -12.546 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.288 -5.960 -12.296 1.00 0.00 N ATOM 0 H GLN A 95 -2.230 -6.418 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.969 -7.493 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.000 -6.952 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.438 -7.925 -10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.782 -5.939 -9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.305 -5.002 -9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.965 -6.397 -11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.524 -5.808 -13.277 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.442 -9.932 -8.558 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.120 -11.351 -8.472 1.00 0.00 C ATOM 1386 C VAL A 96 -4.829 -12.142 -9.565 1.00 0.00 C ATOM 1387 O VAL A 96 -6.019 -11.950 -9.814 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.509 -11.932 -7.099 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.163 -13.412 -7.028 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.824 -11.162 -5.981 1.00 0.00 C ATOM 0 H VAL A 96 -5.441 -9.728 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.042 -11.440 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.587 -11.829 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.445 -13.805 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.705 -13.950 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.091 -13.543 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.110 -11.586 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.743 -11.231 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.127 -10.116 -6.021 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.089 -13.034 -10.216 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.647 -13.857 -11.282 1.00 0.00 C ATOM 1402 C ALA A 97 -4.860 -15.292 -10.814 1.00 0.00 C ATOM 1403 O ALA A 97 -4.384 -15.685 -9.750 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.738 -13.828 -12.502 1.00 0.00 C ATOM 0 H ALA A 97 -3.102 -13.205 -10.024 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.618 -13.444 -11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.167 -14.447 -13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.640 -12.803 -12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.755 -14.214 -12.232 1.00 0.00 H new