USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 528 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 35 CYS SG : rot 139:sc= 3.19 USER MOD Set 1.2: A 37 SER OG : rot 89:sc= 1.43 USER MOD Set 1.3: A 38 CYS SG : rot 56:sc= 0.477 USER MOD Set 1.4: A 58 CYS SG : rot -136:sc= -4.27! USER MOD Set 2.1: A 8 CYS SG : rot 168:sc= 2.55 USER MOD Set 2.2: A 11 CYS SG : rot -42:sc= 0.934! USER MOD Set 2.3: A 29 HIS : no HD1:sc= -0.739 K(o=2.4,f=1.8) USER MOD Set 2.4: A 32 CYS SG : rot 139:sc= -0.396 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -30:sc= -0.288 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -81:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 81:sc= 1.29 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.616 K(o=0.62,f=-5.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 49 SER OG : rot 180:sc= -0.766 USER MOD Single : A 50 TYR OH : rot 30:sc= -0.155 USER MOD Single : A 51 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.523) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00496 USER MOD Single : A 55 MET CE :methyl -118:sc= -0.381 (180deg=-5.27!) USER MOD Single : A 60 ASN : amide:sc= 0.61 K(o=0.61,f=-4.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.847 -3.730 -0.331 1.00 0.00 N ATOM 98 CA ARG A 7 -9.152 -4.445 0.722 1.00 0.00 C ATOM 99 C ARG A 7 -7.772 -3.838 0.950 1.00 0.00 C ATOM 100 O ARG A 7 -6.965 -3.748 0.025 1.00 0.00 O ATOM 101 CB ARG A 7 -9.037 -5.925 0.353 1.00 0.00 C ATOM 102 CG ARG A 7 -8.306 -6.764 1.385 1.00 0.00 C ATOM 103 CD ARG A 7 -6.998 -7.297 0.831 1.00 0.00 C ATOM 104 NE ARG A 7 -5.865 -6.951 1.681 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.846 -7.769 1.931 1.00 0.00 C ATOM 106 NH1 ARG A 7 -4.842 -9.002 1.436 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.838 -7.354 2.691 1.00 0.00 N ATOM 0 HA ARG A 7 -9.720 -4.358 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.038 -6.332 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.520 -6.011 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.110 -6.163 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.938 -7.596 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.060 -8.381 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.837 -6.895 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.853 -6.026 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.622 -9.324 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.059 -9.627 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.847 -6.411 3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.055 -7.978 2.885 1.00 0.00 H new ATOM 121 N CYS A 8 -7.536 -3.372 2.172 1.00 0.00 N ATOM 122 CA CYS A 8 -6.286 -2.721 2.533 1.00 0.00 C ATOM 123 C CYS A 8 -5.109 -3.677 2.397 1.00 0.00 C ATOM 124 O CYS A 8 -5.088 -4.755 2.999 1.00 0.00 O ATOM 125 CB CYS A 8 -6.381 -2.191 3.966 1.00 0.00 C ATOM 126 SG CYS A 8 -4.788 -1.799 4.764 1.00 0.00 S ATOM 0 H CYS A 8 -8.207 -3.436 2.938 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.117 -1.889 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.997 -1.292 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.901 -2.931 4.575 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.003 -1.128 5.856 1.00 0.00 H new ATOM 131 N ALA A 9 -4.122 -3.266 1.616 1.00 0.00 N ATOM 132 CA ALA A 9 -2.921 -4.060 1.405 1.00 0.00 C ATOM 133 C ALA A 9 -1.935 -3.873 2.554 1.00 0.00 C ATOM 134 O ALA A 9 -0.843 -4.443 2.550 1.00 0.00 O ATOM 135 CB ALA A 9 -2.271 -3.689 0.080 1.00 0.00 C ATOM 0 H ALA A 9 -4.130 -2.378 1.113 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.207 -5.111 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.374 -4.290 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.971 -3.878 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.003 -2.633 0.090 1.00 0.00 H new ATOM 141 N GLY A 10 -2.338 -3.091 3.548 1.00 0.00 N ATOM 142 CA GLY A 10 -1.497 -2.862 4.700 1.00 0.00 C ATOM 143 C GLY A 10 -1.707 -3.908 5.773 1.00 0.00 C ATOM 144 O GLY A 10 -0.747 -4.520 6.249 1.00 0.00 O ATOM 0 H GLY A 10 -3.237 -2.611 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.452 -2.864 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.706 -1.874 5.111 1.00 0.00 H new ATOM 148 N CYS A 11 -2.961 -4.162 6.124 1.00 0.00 N ATOM 149 CA CYS A 11 -3.262 -5.186 7.110 1.00 0.00 C ATOM 150 C CYS A 11 -3.908 -6.396 6.443 1.00 0.00 C ATOM 151 O CYS A 11 -3.222 -7.343 6.047 1.00 0.00 O ATOM 152 CB CYS A 11 -4.158 -4.629 8.230 1.00 0.00 C ATOM 153 SG CYS A 11 -5.721 -3.857 7.685 1.00 0.00 S ATOM 0 H CYS A 11 -3.775 -3.679 5.745 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.325 -5.507 7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.396 -5.441 8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.587 -3.891 8.794 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.499 -3.120 6.638 1.00 0.00 H new ATOM 158 N GLY A 12 -5.219 -6.347 6.301 1.00 0.00 N ATOM 159 CA GLY A 12 -5.944 -7.429 5.675 1.00 0.00 C ATOM 160 C GLY A 12 -7.415 -7.403 6.020 1.00 0.00 C ATOM 161 O GLY A 12 -7.874 -8.160 6.873 1.00 0.00 O ATOM 0 H GLY A 12 -5.801 -5.569 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.825 -7.367 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.515 -8.381 5.988 1.00 0.00 H new ATOM 165 N GLY A 13 -8.149 -6.511 5.379 1.00 0.00 N ATOM 166 CA GLY A 13 -9.548 -6.386 5.618 1.00 0.00 C ATOM 167 C GLY A 13 -10.127 -5.320 4.736 1.00 0.00 C ATOM 168 O GLY A 13 -9.421 -4.723 3.919 1.00 0.00 O ATOM 0 H GLY A 13 -7.780 -5.862 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.044 -7.337 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.726 -6.139 6.665 1.00 0.00 H new ATOM 172 N LYS A 14 -11.382 -5.044 4.941 1.00 0.00 N ATOM 173 CA LYS A 14 -12.073 -4.001 4.205 1.00 0.00 C ATOM 174 C LYS A 14 -11.804 -2.647 4.842 1.00 0.00 C ATOM 175 O LYS A 14 -11.869 -2.501 6.065 1.00 0.00 O ATOM 176 CB LYS A 14 -13.574 -4.280 4.158 1.00 0.00 C ATOM 177 CG LYS A 14 -13.976 -5.211 3.024 1.00 0.00 C ATOM 178 CD LYS A 14 -15.482 -5.242 2.840 1.00 0.00 C ATOM 179 CE LYS A 14 -16.071 -6.561 3.307 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.464 -6.404 3.794 1.00 0.00 N ATOM 0 H LYS A 14 -11.965 -5.531 5.622 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.696 -3.989 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.885 -4.718 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.109 -3.336 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.502 -4.885 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.613 -6.217 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.935 -4.422 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.725 -5.085 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.052 -7.278 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.452 -6.973 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.830 -7.327 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.479 -5.740 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.061 -6.035 3.026 1.00 0.00 H new ATOM 194 N ILE A 15 -11.430 -1.683 4.020 1.00 0.00 N ATOM 195 CA ILE A 15 -11.089 -0.356 4.505 1.00 0.00 C ATOM 196 C ILE A 15 -12.347 0.444 4.815 1.00 0.00 C ATOM 197 O ILE A 15 -12.886 1.141 3.957 1.00 0.00 O ATOM 198 CB ILE A 15 -10.228 0.415 3.487 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.236 -0.531 2.804 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.498 1.562 4.172 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.646 0.032 1.535 1.00 0.00 C ATOM 0 H ILE A 15 -11.354 -1.794 3.009 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.509 -0.486 5.419 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.882 0.835 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.429 -0.763 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.740 -1.470 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.894 2.098 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.225 2.245 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.852 1.166 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.953 -0.690 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.445 0.238 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.114 0.956 1.760 1.00 0.00 H new ATOM 212 N ALA A 16 -12.803 0.340 6.053 1.00 0.00 N ATOM 213 CA ALA A 16 -14.001 1.037 6.497 1.00 0.00 C ATOM 214 C ALA A 16 -13.650 2.401 7.078 1.00 0.00 C ATOM 215 O ALA A 16 -14.388 2.961 7.891 1.00 0.00 O ATOM 216 CB ALA A 16 -14.747 0.194 7.520 1.00 0.00 C ATOM 0 H ALA A 16 -12.357 -0.226 6.775 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.649 1.196 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.642 0.725 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.033 -0.757 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.102 0.009 8.379 1.00 0.00 H new ATOM 222 N ASP A 17 -12.515 2.928 6.653 1.00 0.00 N ATOM 223 CA ASP A 17 -12.052 4.230 7.104 1.00 0.00 C ATOM 224 C ASP A 17 -12.352 5.294 6.057 1.00 0.00 C ATOM 225 O ASP A 17 -12.287 5.031 4.855 1.00 0.00 O ATOM 226 CB ASP A 17 -10.550 4.194 7.394 1.00 0.00 C ATOM 227 CG ASP A 17 -10.239 4.077 8.874 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.179 4.127 9.698 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.048 3.961 9.227 1.00 0.00 O ATOM 0 H ASP A 17 -11.891 2.469 5.989 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.582 4.481 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.103 3.352 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.087 5.099 7.001 1.00 0.00 H new ATOM 234 N ARG A 18 -12.614 6.512 6.511 1.00 0.00 N ATOM 235 CA ARG A 18 -12.863 7.622 5.597 1.00 0.00 C ATOM 236 C ARG A 18 -11.547 8.265 5.182 1.00 0.00 C ATOM 237 O ARG A 18 -11.508 9.109 4.288 1.00 0.00 O ATOM 238 CB ARG A 18 -13.792 8.667 6.229 1.00 0.00 C ATOM 239 CG ARG A 18 -13.501 8.954 7.692 1.00 0.00 C ATOM 240 CD ARG A 18 -14.669 8.553 8.574 1.00 0.00 C ATOM 241 NE ARG A 18 -14.584 9.139 9.907 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.062 8.556 11.004 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.635 7.361 10.933 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.942 9.158 12.176 1.00 0.00 N ATOM 0 H ARG A 18 -12.660 6.757 7.500 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.360 7.226 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.712 9.596 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.823 8.325 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.607 8.413 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.292 10.016 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.601 8.864 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.701 7.467 8.659 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.132 10.048 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.711 6.884 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.999 6.919 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.484 10.067 12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.308 8.713 13.018 1.00 0.00 H new ATOM 258 N PHE A 19 -10.465 7.804 5.793 1.00 0.00 N ATOM 259 CA PHE A 19 -9.129 8.256 5.436 1.00 0.00 C ATOM 260 C PHE A 19 -8.326 7.079 4.901 1.00 0.00 C ATOM 261 O PHE A 19 -7.678 6.359 5.666 1.00 0.00 O ATOM 262 CB PHE A 19 -8.412 8.867 6.647 1.00 0.00 C ATOM 263 CG PHE A 19 -9.285 9.755 7.492 1.00 0.00 C ATOM 264 CD1 PHE A 19 -9.878 10.882 6.949 1.00 0.00 C ATOM 265 CD2 PHE A 19 -9.511 9.459 8.829 1.00 0.00 C ATOM 266 CE1 PHE A 19 -10.680 11.699 7.720 1.00 0.00 C ATOM 267 CE2 PHE A 19 -10.310 10.275 9.605 1.00 0.00 C ATOM 268 CZ PHE A 19 -10.895 11.396 9.049 1.00 0.00 C ATOM 0 H PHE A 19 -10.488 7.113 6.543 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.215 9.026 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.021 8.062 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.556 9.444 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.711 11.125 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.058 8.582 9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.139 12.574 7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.477 10.037 10.645 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.521 12.035 9.654 1.00 0.00 H new ATOM 278 N LEU A 20 -8.454 6.823 3.609 1.00 0.00 N ATOM 279 CA LEU A 20 -7.810 5.671 3.000 1.00 0.00 C ATOM 280 C LEU A 20 -6.739 6.111 2.008 1.00 0.00 C ATOM 281 O LEU A 20 -6.608 7.302 1.703 1.00 0.00 O ATOM 282 CB LEU A 20 -8.861 4.773 2.327 1.00 0.00 C ATOM 283 CG LEU A 20 -8.903 4.817 0.798 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.995 3.409 0.226 1.00 0.00 C ATOM 285 CD2 LEU A 20 -10.070 5.663 0.316 1.00 0.00 C ATOM 0 H LEU A 20 -8.997 7.396 2.963 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.316 5.092 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.681 3.743 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.844 5.052 2.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.979 5.275 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.024 3.460 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.125 2.831 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.902 2.927 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.081 5.681 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.004 5.236 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.963 6.680 0.694 1.00 0.00 H new ATOM 297 N LEU A 21 -5.944 5.158 1.553 1.00 0.00 N ATOM 298 CA LEU A 21 -4.847 5.440 0.647 1.00 0.00 C ATOM 299 C LEU A 21 -4.869 4.491 -0.542 1.00 0.00 C ATOM 300 O LEU A 21 -5.403 3.389 -0.457 1.00 0.00 O ATOM 301 CB LEU A 21 -3.520 5.304 1.384 1.00 0.00 C ATOM 302 CG LEU A 21 -2.477 6.352 1.022 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.870 6.946 2.280 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.402 5.741 0.139 1.00 0.00 C ATOM 0 H LEU A 21 -6.041 4.173 1.800 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.959 6.460 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.709 5.356 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.107 4.316 1.180 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.961 7.154 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.126 7.694 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.653 7.414 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.394 6.157 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.662 6.501 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.916 4.923 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.856 5.360 -0.776 1.00 0.00 H new ATOM 316 N TYR A 22 -4.253 4.913 -1.631 1.00 0.00 N ATOM 317 CA TYR A 22 -4.111 4.082 -2.813 1.00 0.00 C ATOM 318 C TYR A 22 -2.641 4.008 -3.194 1.00 0.00 C ATOM 319 O TYR A 22 -1.987 5.040 -3.349 1.00 0.00 O ATOM 320 CB TYR A 22 -4.909 4.646 -3.995 1.00 0.00 C ATOM 321 CG TYR A 22 -6.233 5.281 -3.630 1.00 0.00 C ATOM 322 CD1 TYR A 22 -7.292 4.511 -3.181 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.436 6.647 -3.774 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.511 5.075 -2.881 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.655 7.219 -3.481 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.689 6.429 -3.036 1.00 0.00 C ATOM 327 OH TYR A 22 -9.908 6.997 -2.753 1.00 0.00 O ATOM 0 H TYR A 22 -3.837 5.840 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.499 3.090 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.296 5.388 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.093 3.841 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.159 3.446 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.626 7.271 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.323 4.457 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.798 8.283 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.620 6.346 -2.925 1.00 0.00 H new ATOM 337 N ALA A 23 -2.115 2.801 -3.316 1.00 0.00 N ATOM 338 CA ALA A 23 -0.718 2.622 -3.673 1.00 0.00 C ATOM 339 C ALA A 23 -0.508 1.304 -4.404 1.00 0.00 C ATOM 340 O ALA A 23 -0.952 0.252 -3.938 1.00 0.00 O ATOM 341 CB ALA A 23 0.166 2.692 -2.433 1.00 0.00 C ATOM 0 H ALA A 23 -2.632 1.933 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.435 3.432 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.208 2.556 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.046 3.664 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.123 1.906 -1.735 1.00 0.00 H new ATOM 347 N MET A 24 0.139 1.381 -5.567 1.00 0.00 N ATOM 348 CA MET A 24 0.415 0.209 -6.403 1.00 0.00 C ATOM 349 C MET A 24 -0.881 -0.434 -6.885 1.00 0.00 C ATOM 350 O MET A 24 -1.009 -1.659 -6.905 1.00 0.00 O ATOM 351 CB MET A 24 1.266 -0.817 -5.643 1.00 0.00 C ATOM 352 CG MET A 24 2.749 -0.745 -5.966 1.00 0.00 C ATOM 353 SD MET A 24 3.085 -0.758 -7.739 1.00 0.00 S ATOM 354 CE MET A 24 3.516 -2.479 -7.988 1.00 0.00 C ATOM 0 H MET A 24 0.487 2.257 -5.957 1.00 0.00 H new ATOM 0 HA MET A 24 0.977 0.547 -7.274 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.129 -0.666 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.902 -1.818 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.167 0.162 -5.529 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.258 -1.588 -5.499 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.751 -2.647 -9.039 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.384 -2.729 -7.378 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.676 -3.110 -7.699 1.00 0.00 H new ATOM 364 N ASP A 25 -1.867 0.407 -7.194 1.00 0.00 N ATOM 365 CA ASP A 25 -3.189 -0.049 -7.634 1.00 0.00 C ATOM 366 C ASP A 25 -3.864 -0.920 -6.581 1.00 0.00 C ATOM 367 O ASP A 25 -4.877 -1.565 -6.847 1.00 0.00 O ATOM 368 CB ASP A 25 -3.104 -0.794 -8.970 1.00 0.00 C ATOM 369 CG ASP A 25 -3.550 0.066 -10.134 1.00 0.00 C ATOM 370 OD1 ASP A 25 -2.889 1.089 -10.421 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.568 -0.274 -10.770 1.00 0.00 O ATOM 0 H ASP A 25 -1.775 1.422 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.802 0.841 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.078 -1.123 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.723 -1.690 -8.924 1.00 0.00 H new ATOM 376 N SER A 26 -3.362 -0.840 -5.362 1.00 0.00 N ATOM 377 CA SER A 26 -3.977 -1.503 -4.233 1.00 0.00 C ATOM 378 C SER A 26 -4.347 -0.452 -3.204 1.00 0.00 C ATOM 379 O SER A 26 -3.676 0.574 -3.094 1.00 0.00 O ATOM 380 CB SER A 26 -3.019 -2.535 -3.633 1.00 0.00 C ATOM 381 OG SER A 26 -2.065 -2.959 -4.594 1.00 0.00 O ATOM 0 H SER A 26 -2.519 -0.315 -5.130 1.00 0.00 H new ATOM 0 HA SER A 26 -4.873 -2.033 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.507 -2.105 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.584 -3.394 -3.272 1.00 0.00 H new ATOM 0 HG SER A 26 -1.462 -3.617 -4.188 1.00 0.00 H new ATOM 387 N TYR A 27 -5.462 -0.644 -2.531 1.00 0.00 N ATOM 388 CA TYR A 27 -5.927 0.341 -1.573 1.00 0.00 C ATOM 389 C TYR A 27 -5.470 -0.043 -0.171 1.00 0.00 C ATOM 390 O TYR A 27 -5.186 -1.208 0.096 1.00 0.00 O ATOM 391 CB TYR A 27 -7.449 0.488 -1.642 1.00 0.00 C ATOM 392 CG TYR A 27 -7.959 1.156 -2.912 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.132 1.368 -4.017 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.287 1.559 -3.008 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.618 1.960 -5.170 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.776 2.154 -4.154 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.939 2.354 -5.233 1.00 0.00 C ATOM 398 OH TYR A 27 -9.426 2.952 -6.375 1.00 0.00 O ATOM 0 H TYR A 27 -6.060 -1.465 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.493 1.310 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.902 -0.500 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.785 1.066 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.096 1.065 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.949 1.403 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.966 2.113 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.810 2.462 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.375 3.166 -6.253 1.00 0.00 H new ATOM 408 N TRP A 28 -5.262 0.960 0.667 1.00 0.00 N ATOM 409 CA TRP A 28 -4.709 0.761 2.003 1.00 0.00 C ATOM 410 C TRP A 28 -5.505 1.563 3.025 1.00 0.00 C ATOM 411 O TRP A 28 -6.275 2.455 2.663 1.00 0.00 O ATOM 412 CB TRP A 28 -3.243 1.233 2.082 1.00 0.00 C ATOM 413 CG TRP A 28 -2.297 0.653 1.066 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.404 0.706 -0.294 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.060 -0.014 1.340 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.329 0.086 -0.880 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.486 -0.359 0.102 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.387 -0.363 2.514 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.730 -1.028 0.005 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.823 -1.026 2.417 1.00 0.00 C ATOM 421 CH2 TRP A 28 1.369 -1.353 1.171 1.00 0.00 C ATOM 0 H TRP A 28 -5.470 1.933 0.444 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.763 -0.307 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.228 2.318 1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.862 0.999 3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.218 1.169 -0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.182 -0.025 -1.883 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.804 -0.119 3.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.154 -1.282 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.355 -1.296 3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.315 -1.873 1.128 1.00 0.00 H new ATOM 432 N HIS A 29 -5.134 1.400 4.289 1.00 0.00 N ATOM 433 CA HIS A 29 -5.626 2.266 5.352 1.00 0.00 C ATOM 434 C HIS A 29 -4.773 3.531 5.396 1.00 0.00 C ATOM 435 O HIS A 29 -4.133 3.889 4.409 1.00 0.00 O ATOM 436 CB HIS A 29 -5.556 1.554 6.707 1.00 0.00 C ATOM 437 CG HIS A 29 -6.803 0.812 7.084 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.797 -0.544 7.239 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.051 1.278 7.340 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.021 -0.892 7.584 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.825 0.186 7.659 1.00 0.00 N ATOM 0 H HIS A 29 -4.491 0.673 4.603 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.666 2.520 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.722 0.853 6.692 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.339 2.291 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.375 2.308 7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.337 -1.906 7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.815 0.192 7.905 1.00 0.00 H new ATOM 449 N SER A 30 -4.668 4.138 6.564 1.00 0.00 N ATOM 450 CA SER A 30 -3.799 5.290 6.740 1.00 0.00 C ATOM 451 C SER A 30 -2.512 4.880 7.456 1.00 0.00 C ATOM 452 O SER A 30 -1.410 5.104 6.958 1.00 0.00 O ATOM 453 CB SER A 30 -4.532 6.377 7.528 1.00 0.00 C ATOM 454 OG SER A 30 -5.895 6.025 7.736 1.00 0.00 O ATOM 0 H SER A 30 -5.172 3.854 7.404 1.00 0.00 H new ATOM 0 HA SER A 30 -3.532 5.687 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.041 6.528 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.475 7.323 6.989 1.00 0.00 H new ATOM 0 HG SER A 30 -6.412 6.228 6.929 1.00 0.00 H new ATOM 460 N ARG A 31 -2.667 4.247 8.612 1.00 0.00 N ATOM 461 CA ARG A 31 -1.530 3.822 9.427 1.00 0.00 C ATOM 462 C ARG A 31 -0.903 2.530 8.890 1.00 0.00 C ATOM 463 O ARG A 31 0.209 2.161 9.267 1.00 0.00 O ATOM 464 CB ARG A 31 -1.996 3.641 10.881 1.00 0.00 C ATOM 465 CG ARG A 31 -0.948 3.068 11.824 1.00 0.00 C ATOM 466 CD ARG A 31 -1.473 1.828 12.533 1.00 0.00 C ATOM 467 NE ARG A 31 -1.855 0.783 11.587 1.00 0.00 N ATOM 468 CZ ARG A 31 -1.091 -0.263 11.289 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.056 -0.447 11.924 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.476 -1.128 10.361 1.00 0.00 N ATOM 0 H ARG A 31 -3.576 4.014 9.011 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.759 4.591 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.320 4.608 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.867 2.986 10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.047 2.817 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.666 3.820 12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.708 1.445 13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.334 2.096 13.145 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.762 0.860 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.353 0.214 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.642 -1.250 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.361 -0.992 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.887 -1.929 10.135 1.00 0.00 H new ATOM 484 N CYS A 32 -1.610 1.854 7.991 1.00 0.00 N ATOM 485 CA CYS A 32 -1.129 0.594 7.440 1.00 0.00 C ATOM 486 C CYS A 32 -0.069 0.822 6.367 1.00 0.00 C ATOM 487 O CYS A 32 0.740 -0.067 6.084 1.00 0.00 O ATOM 488 CB CYS A 32 -2.295 -0.203 6.866 1.00 0.00 C ATOM 489 SG CYS A 32 -3.421 -0.881 8.125 1.00 0.00 S ATOM 0 H CYS A 32 -2.515 2.157 7.630 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.668 0.027 8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.864 0.439 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.901 -1.024 6.267 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.651 -0.742 7.727 1.00 0.00 H new ATOM 494 N LEU A 33 0.014 2.046 5.863 1.00 0.00 N ATOM 495 CA LEU A 33 1.074 2.396 4.933 1.00 0.00 C ATOM 496 C LEU A 33 2.324 2.799 5.706 1.00 0.00 C ATOM 497 O LEU A 33 2.781 3.941 5.649 1.00 0.00 O ATOM 498 CB LEU A 33 0.641 3.513 3.988 1.00 0.00 C ATOM 499 CG LEU A 33 1.594 3.755 2.817 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.454 2.662 1.771 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.337 5.109 2.195 1.00 0.00 C ATOM 0 H LEU A 33 -0.633 2.804 6.080 1.00 0.00 H new ATOM 0 HA LEU A 33 1.297 1.522 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.347 3.276 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.543 4.437 4.558 1.00 0.00 H new ATOM 0 HG LEU A 33 2.614 3.734 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.142 2.856 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.688 1.697 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.431 2.648 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.024 5.264 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.311 5.153 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.490 5.888 2.942 1.00 0.00 H new ATOM 513 N LYS A 34 2.843 1.851 6.459 1.00 0.00 N ATOM 514 CA LYS A 34 4.025 2.068 7.263 1.00 0.00 C ATOM 515 C LYS A 34 5.156 1.197 6.745 1.00 0.00 C ATOM 516 O LYS A 34 4.906 0.185 6.085 1.00 0.00 O ATOM 517 CB LYS A 34 3.722 1.761 8.739 1.00 0.00 C ATOM 518 CG LYS A 34 4.000 0.320 9.159 1.00 0.00 C ATOM 519 CD LYS A 34 2.830 -0.603 8.852 1.00 0.00 C ATOM 520 CE LYS A 34 3.302 -1.881 8.177 1.00 0.00 C ATOM 521 NZ LYS A 34 2.441 -3.046 8.507 1.00 0.00 N ATOM 0 H LYS A 34 2.457 0.910 6.530 1.00 0.00 H new ATOM 0 HA LYS A 34 4.330 3.112 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.315 2.429 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.674 1.987 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.891 -0.041 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.214 0.289 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.305 -0.848 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.117 -0.089 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.314 -1.735 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.327 -2.092 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.803 -3.893 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.449 -3.204 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.467 -2.858 8.194 1.00 0.00 H new ATOM 535 N CYS A 35 6.385 1.613 7.003 1.00 0.00 N ATOM 536 CA CYS A 35 7.544 0.867 6.557 1.00 0.00 C ATOM 537 C CYS A 35 7.515 -0.543 7.136 1.00 0.00 C ATOM 538 O CYS A 35 7.226 -0.729 8.320 1.00 0.00 O ATOM 539 CB CYS A 35 8.830 1.580 6.983 1.00 0.00 C ATOM 540 SG CYS A 35 10.362 0.775 6.400 1.00 0.00 S ATOM 0 H CYS A 35 6.603 2.465 7.520 1.00 0.00 H new ATOM 0 HA CYS A 35 7.520 0.804 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.806 2.603 6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.856 1.639 8.071 1.00 0.00 H new ATOM 0 HG CYS A 35 11.207 1.682 6.008 1.00 0.00 H new ATOM 545 N SER A 36 7.894 -1.516 6.326 1.00 0.00 N ATOM 546 CA SER A 36 7.978 -2.894 6.785 1.00 0.00 C ATOM 547 C SER A 36 9.180 -3.076 7.710 1.00 0.00 C ATOM 548 O SER A 36 9.378 -4.142 8.290 1.00 0.00 O ATOM 549 CB SER A 36 8.079 -3.839 5.589 1.00 0.00 C ATOM 550 OG SER A 36 7.106 -3.516 4.604 1.00 0.00 O ATOM 0 H SER A 36 8.149 -1.379 5.348 1.00 0.00 H new ATOM 0 HA SER A 36 7.074 -3.132 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.077 -3.777 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.939 -4.868 5.920 1.00 0.00 H new ATOM 0 HG SER A 36 7.423 -2.761 4.066 1.00 0.00 H new ATOM 556 N SER A 37 9.979 -2.028 7.836 1.00 0.00 N ATOM 557 CA SER A 37 11.168 -2.077 8.665 1.00 0.00 C ATOM 558 C SER A 37 11.095 -1.058 9.804 1.00 0.00 C ATOM 559 O SER A 37 11.507 -1.345 10.925 1.00 0.00 O ATOM 560 CB SER A 37 12.400 -1.829 7.802 1.00 0.00 C ATOM 561 OG SER A 37 12.044 -1.743 6.426 1.00 0.00 O ATOM 0 H SER A 37 9.823 -1.133 7.373 1.00 0.00 H new ATOM 0 HA SER A 37 11.236 -3.067 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.889 -0.906 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.119 -2.635 7.947 1.00 0.00 H new ATOM 0 HG SER A 37 11.817 -0.816 6.204 1.00 0.00 H new ATOM 567 N CYS A 38 10.609 0.142 9.505 1.00 0.00 N ATOM 568 CA CYS A 38 10.539 1.200 10.508 1.00 0.00 C ATOM 569 C CYS A 38 9.200 1.206 11.232 1.00 0.00 C ATOM 570 O CYS A 38 9.099 1.702 12.355 1.00 0.00 O ATOM 571 CB CYS A 38 10.758 2.562 9.854 1.00 0.00 C ATOM 572 SG CYS A 38 12.387 2.765 9.070 1.00 0.00 S ATOM 0 H CYS A 38 10.260 0.406 8.584 1.00 0.00 H new ATOM 0 HA CYS A 38 11.324 1.005 11.238 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.984 2.719 9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.632 3.338 10.609 1.00 0.00 H new ATOM 0 HG CYS A 38 12.569 1.819 8.197 1.00 0.00 H new ATOM 577 N GLN A 39 8.157 0.793 10.517 1.00 0.00 N ATOM 578 CA GLN A 39 6.782 0.865 11.013 1.00 0.00 C ATOM 579 C GLN A 39 6.369 2.316 11.232 1.00 0.00 C ATOM 580 O GLN A 39 5.408 2.609 11.947 1.00 0.00 O ATOM 581 CB GLN A 39 6.608 0.061 12.300 1.00 0.00 C ATOM 582 CG GLN A 39 6.359 -1.416 12.061 1.00 0.00 C ATOM 583 CD GLN A 39 7.579 -2.266 12.352 1.00 0.00 C ATOM 584 OE1 GLN A 39 8.006 -2.389 13.501 1.00 0.00 O ATOM 585 NE2 GLN A 39 8.142 -2.866 11.318 1.00 0.00 N ATOM 0 H GLN A 39 8.239 0.400 9.579 1.00 0.00 H new ATOM 0 HA GLN A 39 6.133 0.425 10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.501 0.176 12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.775 0.475 12.868 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.532 -1.748 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.054 -1.567 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.757 -2.738 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.962 -3.457 11.456 1.00 0.00 H new ATOM 594 N ALA A 40 7.041 3.208 10.521 1.00 0.00 N ATOM 595 CA ALA A 40 6.713 4.608 10.535 1.00 0.00 C ATOM 596 C ALA A 40 5.780 4.906 9.386 1.00 0.00 C ATOM 597 O ALA A 40 5.945 4.372 8.288 1.00 0.00 O ATOM 598 CB ALA A 40 7.972 5.456 10.439 1.00 0.00 C ATOM 0 H ALA A 40 7.830 2.971 9.919 1.00 0.00 H new ATOM 0 HA ALA A 40 6.219 4.855 11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.701 6.512 10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.623 5.238 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.495 5.226 9.511 1.00 0.00 H new ATOM 604 N GLN A 41 4.757 5.669 9.680 1.00 0.00 N ATOM 605 CA GLN A 41 3.736 6.014 8.702 1.00 0.00 C ATOM 606 C GLN A 41 4.366 6.790 7.548 1.00 0.00 C ATOM 607 O GLN A 41 4.965 7.848 7.751 1.00 0.00 O ATOM 608 CB GLN A 41 2.632 6.838 9.370 1.00 0.00 C ATOM 609 CG GLN A 41 1.227 6.456 8.929 1.00 0.00 C ATOM 610 CD GLN A 41 0.624 7.465 7.976 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.222 7.800 6.960 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.564 7.952 8.294 1.00 0.00 N ATOM 0 H GLN A 41 4.602 6.073 10.604 1.00 0.00 H new ATOM 0 HA GLN A 41 3.293 5.101 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.708 6.721 10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.797 7.893 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.254 5.478 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.587 6.362 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.028 7.647 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.016 8.633 7.684 1.00 0.00 H new ATOM 621 N LEU A 42 4.342 6.187 6.366 1.00 0.00 N ATOM 622 CA LEU A 42 5.038 6.731 5.200 1.00 0.00 C ATOM 623 C LEU A 42 4.439 8.063 4.747 1.00 0.00 C ATOM 624 O LEU A 42 5.091 8.839 4.047 1.00 0.00 O ATOM 625 CB LEU A 42 5.004 5.716 4.052 1.00 0.00 C ATOM 626 CG LEU A 42 6.327 4.994 3.769 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.008 4.574 5.063 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.087 3.781 2.881 1.00 0.00 C ATOM 0 H LEU A 42 3.845 5.315 6.186 1.00 0.00 H new ATOM 0 HA LEU A 42 6.072 6.920 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.243 4.968 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.690 6.231 3.144 1.00 0.00 H new ATOM 0 HG LEU A 42 6.987 5.688 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.944 4.064 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.215 5.457 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.354 3.900 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.035 3.278 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.406 3.093 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.648 4.103 1.936 1.00 0.00 H new ATOM 640 N GLY A 43 3.217 8.338 5.184 1.00 0.00 N ATOM 641 CA GLY A 43 2.569 9.591 4.851 1.00 0.00 C ATOM 642 C GLY A 43 2.833 10.664 5.890 1.00 0.00 C ATOM 643 O GLY A 43 2.408 11.808 5.734 1.00 0.00 O ATOM 0 H GLY A 43 2.661 7.712 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.922 9.934 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.495 9.430 4.761 1.00 0.00 H new ATOM 647 N ASP A 44 3.541 10.301 6.950 1.00 0.00 N ATOM 648 CA ASP A 44 3.890 11.258 7.995 1.00 0.00 C ATOM 649 C ASP A 44 5.278 11.827 7.734 1.00 0.00 C ATOM 650 O ASP A 44 5.529 13.015 7.937 1.00 0.00 O ATOM 651 CB ASP A 44 3.842 10.600 9.379 1.00 0.00 C ATOM 652 CG ASP A 44 4.361 11.510 10.478 1.00 0.00 C ATOM 653 OD1 ASP A 44 3.882 12.658 10.589 1.00 0.00 O ATOM 654 OD2 ASP A 44 5.248 11.080 11.245 1.00 0.00 O ATOM 0 H ASP A 44 3.885 9.354 7.111 1.00 0.00 H new ATOM 0 HA ASP A 44 3.160 12.068 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.815 10.313 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.433 9.684 9.362 1.00 0.00 H new ATOM 659 N ILE A 45 6.147 10.988 7.188 1.00 0.00 N ATOM 660 CA ILE A 45 7.496 11.402 6.825 1.00 0.00 C ATOM 661 C ILE A 45 7.520 11.937 5.397 1.00 0.00 C ATOM 662 O ILE A 45 8.211 11.401 4.526 1.00 0.00 O ATOM 663 CB ILE A 45 8.501 10.237 6.957 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.850 8.911 6.550 1.00 0.00 C ATOM 665 CG2 ILE A 45 9.026 10.159 8.381 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.843 7.801 6.276 1.00 0.00 C ATOM 0 H ILE A 45 5.940 10.010 6.985 1.00 0.00 H new ATOM 0 HA ILE A 45 7.794 12.191 7.515 1.00 0.00 H new ATOM 0 HB ILE A 45 9.339 10.423 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.172 8.592 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.245 9.073 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.734 9.334 8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.526 11.093 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.195 9.994 9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.307 6.895 5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.506 8.098 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.432 7.610 7.173 1.00 0.00 H new ATOM 677 N GLY A 46 6.675 12.924 5.143 1.00 0.00 N ATOM 678 CA GLY A 46 6.529 13.453 3.803 1.00 0.00 C ATOM 679 C GLY A 46 5.526 12.650 3.005 1.00 0.00 C ATOM 680 O GLY A 46 4.477 12.274 3.527 1.00 0.00 O ATOM 0 H GLY A 46 6.085 13.370 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.209 14.494 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.494 13.440 3.297 1.00 0.00 H new ATOM 684 N THR A 47 5.900 12.269 1.795 1.00 0.00 N ATOM 685 CA THR A 47 5.080 11.369 1.007 1.00 0.00 C ATOM 686 C THR A 47 5.951 10.551 0.065 1.00 0.00 C ATOM 687 O THR A 47 6.363 11.029 -0.992 1.00 0.00 O ATOM 688 CB THR A 47 4.027 12.142 0.183 1.00 0.00 C ATOM 689 OG1 THR A 47 4.241 13.558 0.302 1.00 0.00 O ATOM 690 CG2 THR A 47 2.621 11.796 0.645 1.00 0.00 C ATOM 0 H THR A 47 6.762 12.568 1.340 1.00 0.00 H new ATOM 0 HA THR A 47 4.562 10.706 1.700 1.00 0.00 H new ATOM 0 HB THR A 47 4.134 11.850 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.568 14.036 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.896 12.352 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.450 10.727 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.508 12.061 1.696 1.00 0.00 H new ATOM 698 N SER A 48 6.185 9.299 0.420 1.00 0.00 N ATOM 699 CA SER A 48 6.970 8.405 -0.413 1.00 0.00 C ATOM 700 C SER A 48 6.683 6.961 -0.038 1.00 0.00 C ATOM 701 O SER A 48 6.274 6.680 1.084 1.00 0.00 O ATOM 702 CB SER A 48 8.467 8.703 -0.266 1.00 0.00 C ATOM 703 OG SER A 48 8.718 9.551 0.846 1.00 0.00 O ATOM 0 H SER A 48 5.841 8.878 1.283 1.00 0.00 H new ATOM 0 HA SER A 48 6.690 8.565 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.016 7.769 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.837 9.174 -1.176 1.00 0.00 H new ATOM 0 HG SER A 48 9.680 9.723 0.916 1.00 0.00 H new ATOM 709 N SER A 49 6.869 6.055 -0.983 1.00 0.00 N ATOM 710 CA SER A 49 6.628 4.642 -0.738 1.00 0.00 C ATOM 711 C SER A 49 7.334 3.803 -1.791 1.00 0.00 C ATOM 712 O SER A 49 7.336 4.152 -2.971 1.00 0.00 O ATOM 713 CB SER A 49 5.126 4.355 -0.750 1.00 0.00 C ATOM 714 OG SER A 49 4.437 5.314 -1.535 1.00 0.00 O ATOM 0 H SER A 49 7.186 6.272 -1.928 1.00 0.00 H new ATOM 0 HA SER A 49 7.025 4.380 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.945 3.356 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.740 4.368 0.269 1.00 0.00 H new ATOM 0 HG SER A 49 3.478 5.112 -1.531 1.00 0.00 H new ATOM 720 N TYR A 50 8.021 2.763 -1.352 1.00 0.00 N ATOM 721 CA TYR A 50 8.796 1.937 -2.262 1.00 0.00 C ATOM 722 C TYR A 50 8.301 0.502 -2.244 1.00 0.00 C ATOM 723 O TYR A 50 8.279 -0.136 -1.195 1.00 0.00 O ATOM 724 CB TYR A 50 10.273 1.988 -1.888 1.00 0.00 C ATOM 725 CG TYR A 50 11.003 3.137 -2.532 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.198 3.169 -3.902 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.488 4.193 -1.774 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.860 4.216 -4.502 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.153 5.247 -2.368 1.00 0.00 C ATOM 730 CZ TYR A 50 12.336 5.254 -3.733 1.00 0.00 C ATOM 731 OH TYR A 50 12.997 6.300 -4.333 1.00 0.00 O ATOM 0 H TYR A 50 8.058 2.471 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 50 8.671 2.329 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.365 2.067 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.749 1.052 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.824 2.359 -4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.343 4.190 -0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.006 4.223 -5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.528 6.061 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 50 12.655 6.424 -5.243 1.00 0.00 H new ATOM 741 N THR A 51 7.919 -0.006 -3.405 1.00 0.00 N ATOM 742 CA THR A 51 7.430 -1.375 -3.503 1.00 0.00 C ATOM 743 C THR A 51 8.565 -2.336 -3.832 1.00 0.00 C ATOM 744 O THR A 51 9.031 -2.400 -4.971 1.00 0.00 O ATOM 745 CB THR A 51 6.328 -1.502 -4.563 1.00 0.00 C ATOM 746 OG1 THR A 51 5.685 -0.232 -4.737 1.00 0.00 O ATOM 747 CG2 THR A 51 5.304 -2.553 -4.149 1.00 0.00 C ATOM 0 H THR A 51 7.937 0.504 -4.288 1.00 0.00 H new ATOM 0 HA THR A 51 7.010 -1.636 -2.532 1.00 0.00 H new ATOM 0 HB THR A 51 6.778 -1.815 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.362 -0.153 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.531 -2.628 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.798 -3.518 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.850 -2.265 -3.201 1.00 0.00 H new ATOM 755 N LYS A 52 9.018 -3.070 -2.828 1.00 0.00 N ATOM 756 CA LYS A 52 10.108 -4.012 -3.005 1.00 0.00 C ATOM 757 C LYS A 52 9.841 -5.288 -2.222 1.00 0.00 C ATOM 758 O LYS A 52 9.354 -5.234 -1.095 1.00 0.00 O ATOM 759 CB LYS A 52 11.429 -3.388 -2.552 1.00 0.00 C ATOM 760 CG LYS A 52 12.167 -2.647 -3.654 1.00 0.00 C ATOM 761 CD LYS A 52 12.380 -3.521 -4.880 1.00 0.00 C ATOM 762 CE LYS A 52 12.525 -2.685 -6.139 1.00 0.00 C ATOM 763 NZ LYS A 52 11.217 -2.450 -6.806 1.00 0.00 N ATOM 0 H LYS A 52 8.645 -3.030 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 52 10.179 -4.259 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.232 -2.698 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.075 -4.173 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.602 -1.758 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.132 -2.306 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.272 -4.132 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.539 -4.206 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.981 -1.727 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.200 -3.187 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.240 -1.537 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.034 -3.212 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.461 -2.437 -6.092 1.00 0.00 H new ATOM 777 N SER A 53 10.107 -6.428 -2.852 1.00 0.00 N ATOM 778 CA SER A 53 9.887 -7.737 -2.239 1.00 0.00 C ATOM 779 C SER A 53 8.407 -7.969 -1.943 1.00 0.00 C ATOM 780 O SER A 53 8.057 -8.764 -1.067 1.00 0.00 O ATOM 781 CB SER A 53 10.707 -7.867 -0.953 1.00 0.00 C ATOM 782 OG SER A 53 12.095 -7.696 -1.209 1.00 0.00 O ATOM 0 H SER A 53 10.480 -6.472 -3.800 1.00 0.00 H new ATOM 0 HA SER A 53 10.214 -8.497 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.374 -7.123 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.535 -8.846 -0.506 1.00 0.00 H new ATOM 0 HG SER A 53 12.595 -7.782 -0.371 1.00 0.00 H new ATOM 788 N GLY A 54 7.542 -7.250 -2.650 1.00 0.00 N ATOM 789 CA GLY A 54 6.115 -7.373 -2.425 1.00 0.00 C ATOM 790 C GLY A 54 5.663 -6.601 -1.203 1.00 0.00 C ATOM 791 O GLY A 54 4.494 -6.648 -0.826 1.00 0.00 O ATOM 0 H GLY A 54 7.805 -6.583 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.578 -7.011 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.857 -8.425 -2.305 1.00 0.00 H new ATOM 795 N MET A 55 6.590 -5.866 -0.604 1.00 0.00 N ATOM 796 CA MET A 55 6.290 -5.054 0.563 1.00 0.00 C ATOM 797 C MET A 55 6.620 -3.596 0.279 1.00 0.00 C ATOM 798 O MET A 55 7.072 -3.256 -0.815 1.00 0.00 O ATOM 799 CB MET A 55 7.075 -5.550 1.785 1.00 0.00 C ATOM 800 CG MET A 55 8.541 -5.135 1.796 1.00 0.00 C ATOM 801 SD MET A 55 9.552 -6.168 2.873 1.00 0.00 S ATOM 802 CE MET A 55 11.159 -5.973 2.110 1.00 0.00 C ATOM 0 H MET A 55 7.561 -5.817 -0.911 1.00 0.00 H new ATOM 0 HA MET A 55 5.226 -5.141 0.783 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.595 -5.173 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.017 -6.638 1.823 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.935 -5.182 0.781 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.618 -4.097 2.120 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.513 -6.941 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.081 -5.285 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.863 -5.574 2.841 1.00 0.00 H new ATOM 812 N ILE A 56 6.412 -2.741 1.262 1.00 0.00 N ATOM 813 CA ILE A 56 6.699 -1.328 1.105 1.00 0.00 C ATOM 814 C ILE A 56 7.776 -0.876 2.092 1.00 0.00 C ATOM 815 O ILE A 56 7.793 -1.291 3.256 1.00 0.00 O ATOM 816 CB ILE A 56 5.410 -0.470 1.245 1.00 0.00 C ATOM 817 CG1 ILE A 56 5.421 0.668 0.226 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.236 0.085 2.653 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.429 0.478 -0.901 1.00 0.00 C ATOM 0 H ILE A 56 6.045 -3.000 2.178 1.00 0.00 H new ATOM 0 HA ILE A 56 7.085 -1.176 0.097 1.00 0.00 H new ATOM 0 HB ILE A 56 4.561 -1.125 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.203 1.605 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.423 0.760 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.322 0.677 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.172 -0.739 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.090 0.715 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.491 1.323 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.660 -0.442 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.421 0.416 -0.492 1.00 0.00 H new ATOM 830 N LEU A 57 8.714 -0.087 1.593 1.00 0.00 N ATOM 831 CA LEU A 57 9.811 0.424 2.403 1.00 0.00 C ATOM 832 C LEU A 57 9.810 1.939 2.372 1.00 0.00 C ATOM 833 O LEU A 57 9.206 2.545 1.480 1.00 0.00 O ATOM 834 CB LEU A 57 11.166 -0.077 1.886 1.00 0.00 C ATOM 835 CG LEU A 57 11.309 -1.592 1.748 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.672 -1.949 1.179 1.00 0.00 C ATOM 837 CD2 LEU A 57 11.094 -2.274 3.090 1.00 0.00 C ATOM 0 H LEU A 57 8.738 0.217 0.620 1.00 0.00 H new ATOM 0 HA LEU A 57 9.667 0.064 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.352 0.376 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.945 0.282 2.558 1.00 0.00 H new ATOM 0 HG LEU A 57 10.545 -1.948 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.756 -3.032 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.787 -1.492 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.452 -1.579 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.200 -3.352 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.834 -1.913 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.094 -2.046 3.458 1.00 0.00 H new ATOM 849 N CYS A 58 10.599 2.536 3.247 1.00 0.00 N ATOM 850 CA CYS A 58 10.800 3.964 3.219 1.00 0.00 C ATOM 851 C CYS A 58 11.890 4.302 2.205 1.00 0.00 C ATOM 852 O CYS A 58 12.599 3.412 1.725 1.00 0.00 O ATOM 853 CB CYS A 58 11.178 4.471 4.614 1.00 0.00 C ATOM 854 SG CYS A 58 12.711 3.752 5.292 1.00 0.00 S ATOM 0 H CYS A 58 11.109 2.049 3.984 1.00 0.00 H new ATOM 0 HA CYS A 58 9.875 4.457 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.286 5.555 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.358 4.257 5.299 1.00 0.00 H new ATOM 0 HG CYS A 58 12.526 3.431 6.538 1.00 0.00 H new ATOM 859 N ARG A 59 12.057 5.581 1.920 1.00 0.00 N ATOM 860 CA ARG A 59 13.098 6.022 1.001 1.00 0.00 C ATOM 861 C ARG A 59 14.472 5.812 1.632 1.00 0.00 C ATOM 862 O ARG A 59 15.434 5.449 0.957 1.00 0.00 O ATOM 863 CB ARG A 59 12.890 7.497 0.629 1.00 0.00 C ATOM 864 CG ARG A 59 14.133 8.182 0.079 1.00 0.00 C ATOM 865 CD ARG A 59 14.379 7.819 -1.375 1.00 0.00 C ATOM 866 NE ARG A 59 13.534 8.590 -2.279 1.00 0.00 N ATOM 867 CZ ARG A 59 14.001 9.396 -3.223 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.309 9.559 -3.376 1.00 0.00 N ATOM 869 NH2 ARG A 59 13.153 10.045 -4.004 1.00 0.00 N ATOM 0 H ARG A 59 11.488 6.333 2.309 1.00 0.00 H new ATOM 0 HA ARG A 59 13.041 5.429 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.093 7.565 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.551 8.039 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.023 9.263 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.999 7.898 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.427 7.993 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.190 6.755 -1.520 1.00 0.00 H new ATOM 0 HE ARG A 59 12.522 8.504 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.959 9.063 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.664 10.180 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.148 9.924 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.504 10.667 -4.732 1.00 0.00 H new ATOM 883 N ASN A 60 14.531 5.988 2.943 1.00 0.00 N ATOM 884 CA ASN A 60 15.764 5.801 3.691 1.00 0.00 C ATOM 885 C ASN A 60 16.203 4.340 3.665 1.00 0.00 C ATOM 886 O ASN A 60 17.390 4.037 3.544 1.00 0.00 O ATOM 887 CB ASN A 60 15.568 6.266 5.135 1.00 0.00 C ATOM 888 CG ASN A 60 16.771 7.006 5.686 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.269 6.681 6.762 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.240 8.011 4.963 1.00 0.00 N ATOM 0 H ASN A 60 13.732 6.262 3.515 1.00 0.00 H new ATOM 0 HA ASN A 60 16.546 6.398 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.694 6.915 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.360 5.401 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.043 8.546 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.799 8.250 4.075 1.00 0.00 H new ATOM 897 N ASP A 61 15.242 3.439 3.812 1.00 0.00 N ATOM 898 CA ASP A 61 15.531 2.010 3.868 1.00 0.00 C ATOM 899 C ASP A 61 15.797 1.440 2.487 1.00 0.00 C ATOM 900 O ASP A 61 16.569 0.492 2.341 1.00 0.00 O ATOM 901 CB ASP A 61 14.384 1.251 4.524 1.00 0.00 C ATOM 902 CG ASP A 61 14.625 1.040 5.998 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.814 1.042 6.413 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.654 0.817 6.746 1.00 0.00 O ATOM 0 H ASP A 61 14.252 3.672 3.895 1.00 0.00 H new ATOM 0 HA ASP A 61 16.432 1.887 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.455 1.803 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.259 0.285 4.034 1.00 0.00 H new ATOM 909 N TYR A 62 15.129 1.992 1.483 1.00 0.00 N ATOM 910 CA TYR A 62 15.294 1.539 0.109 1.00 0.00 C ATOM 911 C TYR A 62 16.765 1.530 -0.301 1.00 0.00 C ATOM 912 O TYR A 62 17.230 0.592 -0.946 1.00 0.00 O ATOM 913 CB TYR A 62 14.501 2.436 -0.839 1.00 0.00 C ATOM 914 CG TYR A 62 14.448 1.915 -2.257 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.669 0.811 -2.576 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.178 2.519 -3.272 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.619 0.327 -3.865 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.133 2.037 -4.565 1.00 0.00 C ATOM 919 CZ TYR A 62 14.351 0.941 -4.855 1.00 0.00 C ATOM 920 OH TYR A 62 14.304 0.455 -6.140 1.00 0.00 O ATOM 0 H TYR A 62 14.465 2.758 1.596 1.00 0.00 H new ATOM 0 HA TYR A 62 14.916 0.519 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.484 2.542 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.946 3.431 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.094 0.324 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.791 3.379 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.007 -0.532 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.707 2.516 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 62 14.876 1.002 -6.718 1.00 0.00 H new ATOM 930 N ILE A 63 17.493 2.573 0.082 1.00 0.00 N ATOM 931 CA ILE A 63 18.910 2.692 -0.270 1.00 0.00 C ATOM 932 C ILE A 63 19.767 1.700 0.516 1.00 0.00 C ATOM 933 O ILE A 63 20.904 1.410 0.144 1.00 0.00 O ATOM 934 CB ILE A 63 19.445 4.123 -0.033 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.339 5.159 -0.262 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.640 4.404 -0.937 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.940 5.333 -1.712 1.00 0.00 C ATOM 0 H ILE A 63 17.130 3.349 0.635 1.00 0.00 H new ATOM 0 HA ILE A 63 18.981 2.463 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 63 19.773 4.199 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.460 4.868 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.671 6.121 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.003 5.416 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.435 3.690 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.338 4.308 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.153 6.083 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.805 5.657 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.575 4.384 -2.105 1.00 0.00 H new ATOM 948 N ARG A 64 19.189 1.120 1.555 1.00 0.00 N ATOM 949 CA ARG A 64 19.871 0.092 2.328 1.00 0.00 C ATOM 950 C ARG A 64 19.621 -1.277 1.707 1.00 0.00 C ATOM 951 O ARG A 64 20.551 -2.034 1.433 1.00 0.00 O ATOM 952 CB ARG A 64 19.378 0.090 3.777 1.00 0.00 C ATOM 953 CG ARG A 64 20.129 1.044 4.688 1.00 0.00 C ATOM 954 CD ARG A 64 19.337 1.338 5.953 1.00 0.00 C ATOM 955 NE ARG A 64 19.632 2.668 6.478 1.00 0.00 N ATOM 956 CZ ARG A 64 18.705 3.560 6.825 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.413 3.240 6.786 1.00 0.00 N ATOM 958 NH2 ARG A 64 19.075 4.766 7.231 1.00 0.00 N ATOM 0 H ARG A 64 18.249 1.343 1.884 1.00 0.00 H new ATOM 0 HA ARG A 64 20.939 0.309 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.320 0.350 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.463 -0.920 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.095 0.613 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.330 1.975 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.271 1.259 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.569 0.588 6.710 1.00 0.00 H new ATOM 0 HE ARG A 64 20.611 2.931 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.127 2.307 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.709 3.928 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.065 5.007 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.370 5.453 7.498 1.00 0.00 H new ATOM 972 N LEU A 65 18.346 -1.596 1.524 1.00 0.00 N ATOM 973 CA LEU A 65 17.939 -2.900 1.019 1.00 0.00 C ATOM 974 C LEU A 65 18.265 -3.064 -0.465 1.00 0.00 C ATOM 975 O LEU A 65 18.780 -4.100 -0.882 1.00 0.00 O ATOM 976 CB LEU A 65 16.438 -3.103 1.244 1.00 0.00 C ATOM 977 CG LEU A 65 16.059 -4.266 2.164 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.770 -5.543 1.737 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.392 -3.929 3.607 1.00 0.00 C ATOM 0 H LEU A 65 17.570 -0.963 1.720 1.00 0.00 H new ATOM 0 HA LEU A 65 18.501 -3.655 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.024 -2.184 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.961 -3.259 0.276 1.00 0.00 H new ATOM 0 HG LEU A 65 14.984 -4.431 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.487 -6.357 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.484 -5.794 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.848 -5.393 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.117 -4.766 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.461 -3.738 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.837 -3.041 3.911 1.00 0.00 H new ATOM 991 N PHE A 66 17.898 -2.077 -1.269 1.00 0.00 N ATOM 992 CA PHE A 66 18.067 -2.172 -2.713 1.00 0.00 C ATOM 993 C PHE A 66 18.830 -0.971 -3.254 1.00 0.00 C ATOM 994 O PHE A 66 18.608 -0.537 -4.387 1.00 0.00 O ATOM 995 CB PHE A 66 16.701 -2.281 -3.401 1.00 0.00 C ATOM 996 CG PHE A 66 15.959 -3.543 -3.062 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.160 -3.610 -1.931 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.067 -4.664 -3.868 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.485 -4.771 -1.611 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.394 -5.828 -3.553 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.603 -5.880 -2.422 1.00 0.00 C ATOM 0 H PHE A 66 17.482 -1.203 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 66 18.647 -3.070 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.091 -1.423 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.842 -2.230 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.065 -2.744 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.685 -4.627 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.866 -4.811 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.486 -6.696 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.077 -6.790 -2.173 1.00 0.00 H new ATOM 1011 N GLY A 67 19.743 -0.451 -2.444 1.00 0.00 N ATOM 1012 CA GLY A 67 20.542 0.687 -2.856 1.00 0.00 C ATOM 1013 C GLY A 67 21.681 0.283 -3.770 1.00 0.00 C ATOM 1014 O GLY A 67 22.253 1.116 -4.470 1.00 0.00 O ATOM 0 H GLY A 67 19.945 -0.798 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.906 1.410 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.945 1.185 -1.974 1.00 0.00 H new ATOM 1424 N GLU A 102 9.276 6.351 -6.385 1.00 0.00 N ATOM 1425 CA GLU A 102 8.375 6.259 -5.251 1.00 0.00 C ATOM 1426 C GLU A 102 7.065 6.965 -5.597 1.00 0.00 C ATOM 1427 O GLU A 102 6.419 6.607 -6.585 1.00 0.00 O ATOM 1428 CB GLU A 102 9.006 6.855 -3.984 1.00 0.00 C ATOM 1429 CG GLU A 102 10.018 7.958 -4.247 1.00 0.00 C ATOM 1430 CD GLU A 102 9.679 9.235 -3.510 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.480 9.559 -3.401 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.611 9.920 -3.039 1.00 0.00 O ATOM 0 HA GLU A 102 8.175 5.208 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.213 7.250 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.494 6.056 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.009 7.619 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.063 8.160 -5.317 1.00 0.00 H new ATOM 1439 N ARG A 103 6.749 8.035 -4.863 1.00 0.00 N ATOM 1440 CA ARG A 103 5.572 8.864 -5.136 1.00 0.00 C ATOM 1441 C ARG A 103 4.338 8.012 -5.408 1.00 0.00 C ATOM 1442 O ARG A 103 3.608 8.238 -6.373 1.00 0.00 O ATOM 1443 CB ARG A 103 5.841 9.797 -6.319 1.00 0.00 C ATOM 1444 CG ARG A 103 6.151 11.225 -5.904 1.00 0.00 C ATOM 1445 CD ARG A 103 7.463 11.703 -6.501 1.00 0.00 C ATOM 1446 NE ARG A 103 8.566 11.614 -5.550 1.00 0.00 N ATOM 1447 CZ ARG A 103 9.790 12.092 -5.780 1.00 0.00 C ATOM 1448 NH1 ARG A 103 10.048 12.778 -6.886 1.00 0.00 N ATOM 1449 NH2 ARG A 103 10.751 11.901 -4.891 1.00 0.00 N ATOM 0 H ARG A 103 7.300 8.351 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 103 5.375 9.463 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.677 9.405 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.971 9.798 -6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.343 11.882 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.200 11.287 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.697 11.107 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.354 12.735 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 103 8.390 11.158 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.308 12.943 -7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.987 13.140 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.556 11.389 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.687 12.266 -5.066 1.00 0.00 H new ATOM 1463 N LEU A 104 4.153 6.984 -4.597 1.00 0.00 N ATOM 1464 CA LEU A 104 3.059 6.051 -4.797 1.00 0.00 C ATOM 1465 C LEU A 104 1.931 6.320 -3.818 1.00 0.00 C ATOM 1466 O LEU A 104 0.886 5.672 -3.872 1.00 0.00 O ATOM 1467 CB LEU A 104 3.551 4.611 -4.648 1.00 0.00 C ATOM 1468 CG LEU A 104 4.201 4.017 -5.898 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.360 3.110 -5.518 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.174 3.253 -6.719 1.00 0.00 C ATOM 0 H LEU A 104 4.747 6.775 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 104 2.677 6.191 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.270 4.572 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.708 3.983 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 104 4.590 4.835 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.810 2.697 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.107 3.684 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.995 2.297 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.653 2.837 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.757 2.445 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.375 3.929 -7.023 1.00 0.00 H new ATOM 1482 N ILE A 105 2.140 7.276 -2.921 1.00 0.00 N ATOM 1483 CA ILE A 105 1.130 7.609 -1.933 1.00 0.00 C ATOM 1484 C ILE A 105 0.027 8.464 -2.547 1.00 0.00 C ATOM 1485 O ILE A 105 0.102 9.695 -2.566 1.00 0.00 O ATOM 1486 CB ILE A 105 1.735 8.329 -0.710 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.791 7.434 -0.055 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.643 8.694 0.291 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.279 7.932 1.284 1.00 0.00 C ATOM 0 H ILE A 105 2.995 7.829 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 105 0.700 6.668 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 105 2.211 9.252 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.376 6.434 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.643 7.343 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.089 9.201 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.081 9.355 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.140 7.787 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.024 7.242 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.726 8.919 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.440 7.995 1.977 1.00 0.00 H new ATOM 1500 N THR A 106 -1.017 7.797 -2.998 1.00 0.00 N ATOM 1501 CA THR A 106 -2.189 8.462 -3.517 1.00 0.00 C ATOM 1502 C THR A 106 -3.264 8.445 -2.438 1.00 0.00 C ATOM 1503 O THR A 106 -3.960 7.454 -2.262 1.00 0.00 O ATOM 1504 CB THR A 106 -2.683 7.759 -4.803 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.662 7.829 -5.807 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.965 8.381 -5.337 1.00 0.00 C ATOM 0 H THR A 106 -1.074 6.779 -3.014 1.00 0.00 H new ATOM 0 HA THR A 106 -1.951 9.493 -3.780 1.00 0.00 H new ATOM 0 HB THR A 106 -2.898 6.720 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.973 7.382 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.275 7.856 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.749 8.302 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.790 9.431 -5.570 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.225 9.441 -1.570 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.069 9.445 -0.383 1.00 0.00 C ATOM 1516 C ARG A 107 -5.373 10.187 -0.635 1.00 0.00 C ATOM 1517 O ARG A 107 -5.397 11.203 -1.333 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.329 10.074 0.801 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.279 11.101 0.403 1.00 0.00 C ATOM 1520 CD ARG A 107 -2.903 12.455 0.118 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.371 13.107 1.335 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.714 14.086 1.952 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -1.553 14.519 1.477 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -3.220 14.625 3.048 1.00 0.00 N ATOM 0 H ARG A 107 -2.620 10.257 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.307 8.409 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.056 10.550 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.848 9.283 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.544 11.199 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.745 10.752 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.172 13.094 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.738 12.332 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.255 12.794 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.159 14.101 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.055 15.270 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.110 14.290 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.720 15.376 3.525 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.449 9.686 -0.045 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.754 10.311 -0.179 1.00 0.00 C ATOM 1540 C LEU A 108 -8.492 10.301 1.152 1.00 0.00 C ATOM 1541 O LEU A 108 -9.019 9.272 1.585 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.590 9.595 -1.243 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.128 10.488 -2.365 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -9.847 11.699 -1.792 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.000 10.926 -3.286 1.00 0.00 C ATOM 0 H LEU A 108 -6.442 8.845 0.533 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.602 11.345 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.983 8.807 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.433 9.109 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.845 9.909 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.221 12.319 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.682 11.368 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.154 12.279 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.401 11.560 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.259 11.485 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.530 10.048 -3.728 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.528 11.453 1.793 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.227 11.606 3.058 1.00 0.00 C ATOM 1559 C GLU A 109 -10.612 12.193 2.823 1.00 0.00 C ATOM 1560 O GLU A 109 -10.869 12.796 1.778 1.00 0.00 O ATOM 1561 CB GLU A 109 -8.426 12.505 4.001 1.00 0.00 C ATOM 1562 CG GLU A 109 -7.087 11.913 4.408 1.00 0.00 C ATOM 1563 CD GLU A 109 -5.930 12.487 3.616 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -5.411 13.553 4.008 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -5.534 11.874 2.603 1.00 0.00 O ATOM 0 H GLU A 109 -8.078 12.304 1.457 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.334 10.624 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.257 13.467 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.017 12.697 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.921 12.095 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.115 10.832 4.271 1.00 0.00 H new