USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Single : A 297 SER OG : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ 147:sc= -0.136 (180deg=-0.831) USER MOD Single : A 300 SER OG : rot -170:sc= -0.103 USER MOD Single : A 307 SER OG : rot 180:sc= -0.196 USER MOD Single : A 308 SER OG : rot 156:sc= 0.749 USER MOD Single : A 310 LYS NZ :NH3+ -107:sc= -0.456 (180deg=-1.7) USER MOD Single : A 311 SER OG : rot -99:sc= 1.1 USER MOD Single : A 312 CYS SG : rot 14:sc= 0.264 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.692 USER MOD Single : A 322 SER OG : rot 180:sc= 0.058 USER MOD Single : A 324 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -162:sc= 1.34 (180deg=1.07) USER MOD Single : A 335 LYS NZ :NH3+ 142:sc= 0.262 (180deg=-1.01) USER MOD Single : A 341 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.9!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= 0.184 K(o=0.18,f=-2.8!) USER MOD Single : A 352 SER OG : rot 180:sc=-0.00786 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 9.923 12.964 -12.254 1.00 13.00 N ATOM 2 CA GLY A 296 10.845 13.746 -13.127 1.00 45.03 C ATOM 3 C GLY A 296 10.295 13.773 -14.515 1.00 73.23 C ATOM 4 O GLY A 296 9.111 13.460 -14.727 1.00 42.04 O ATOM 0 HA2 GLY A 296 10.954 14.761 -12.745 1.00 45.03 H new ATOM 0 HA3 GLY A 296 11.838 13.296 -13.124 1.00 45.03 H new ATOM 10 N SER A 297 11.133 14.119 -15.504 1.00 4.31 N ATOM 11 CA SER A 297 10.662 14.225 -16.865 1.00 51.25 C ATOM 12 C SER A 297 11.653 13.516 -17.739 1.00 12.22 C ATOM 13 O SER A 297 12.673 14.106 -18.141 1.00 23.54 O ATOM 14 CB SER A 297 10.539 15.697 -17.357 1.00 64.21 C ATOM 15 OG SER A 297 9.906 16.514 -16.355 1.00 32.31 O ATOM 0 H SER A 297 12.124 14.325 -15.375 1.00 4.31 H new ATOM 0 HA SER A 297 9.665 13.787 -16.913 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.528 16.094 -17.586 1.00 64.21 H new ATOM 0 HB3 SER A 297 9.961 15.731 -18.280 1.00 64.21 H new ATOM 0 HG SER A 297 9.838 17.436 -16.680 1.00 32.31 H new ATOM 21 N LEU A 298 11.377 12.208 -18.024 1.00 35.12 N ATOM 22 CA LEU A 298 12.188 11.378 -18.918 1.00 5.41 C ATOM 23 C LEU A 298 13.457 10.955 -18.228 1.00 43.22 C ATOM 24 O LEU A 298 13.664 9.778 -17.977 1.00 4.21 O ATOM 25 CB LEU A 298 12.527 12.015 -20.312 1.00 35.24 C ATOM 26 CG LEU A 298 12.278 11.074 -21.518 1.00 1.43 C ATOM 27 CD1 LEU A 298 13.310 9.939 -21.622 1.00 72.15 C ATOM 28 CD2 LEU A 298 10.833 10.547 -21.585 1.00 74.34 C ATOM 0 H LEU A 298 10.577 11.714 -17.629 1.00 35.12 H new ATOM 0 HA LEU A 298 11.559 10.517 -19.143 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.930 12.918 -20.441 1.00 35.24 H new ATOM 0 HB3 LEU A 298 13.573 12.321 -20.314 1.00 35.24 H new ATOM 0 HG LEU A 298 12.419 11.700 -22.399 1.00 1.43 H new ATOM 0 HD11 LEU A 298 13.080 9.316 -22.486 1.00 72.15 H new ATOM 0 HD12 LEU A 298 14.307 10.363 -21.736 1.00 72.15 H new ATOM 0 HD13 LEU A 298 13.275 9.332 -20.718 1.00 72.15 H new ATOM 0 HD21 LEU A 298 10.724 9.894 -22.451 1.00 74.34 H new ATOM 0 HD22 LEU A 298 10.608 9.987 -20.678 1.00 74.34 H new ATOM 0 HD23 LEU A 298 10.143 11.386 -21.674 1.00 74.34 H new ATOM 40 N LYS A 299 14.312 11.921 -17.878 1.00 1.14 N ATOM 41 CA LYS A 299 15.583 11.625 -17.301 1.00 73.23 C ATOM 42 C LYS A 299 15.806 12.671 -16.280 1.00 2.00 C ATOM 43 O LYS A 299 15.628 13.858 -16.537 1.00 0.43 O ATOM 44 CB LYS A 299 16.759 11.726 -18.310 1.00 45.11 C ATOM 45 CG LYS A 299 16.609 10.822 -19.540 1.00 52.34 C ATOM 46 CD LYS A 299 16.937 9.349 -19.264 1.00 21.21 C ATOM 47 CE LYS A 299 18.004 8.785 -20.193 1.00 23.50 C ATOM 48 NZ LYS A 299 19.215 9.636 -20.154 1.00 54.31 N ATOM 0 H LYS A 299 14.124 12.917 -17.994 1.00 1.14 H new ATOM 0 HA LYS A 299 15.565 10.603 -16.922 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.851 12.760 -18.642 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.687 11.472 -17.797 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.587 10.894 -19.911 1.00 52.34 H new ATOM 0 HG3 LYS A 299 17.262 11.189 -20.332 1.00 52.34 H new ATOM 0 HD2 LYS A 299 17.272 9.246 -18.232 1.00 21.21 H new ATOM 0 HD3 LYS A 299 16.028 8.756 -19.364 1.00 21.21 H new ATOM 0 HE2 LYS A 299 18.256 7.767 -19.895 1.00 23.50 H new ATOM 0 HE3 LYS A 299 17.620 8.733 -21.212 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 20.060 9.044 -20.286 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 19.166 10.344 -20.914 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 19.271 10.119 -19.235 1.00 54.31 H new ATOM 62 N SER A 300 16.178 12.241 -15.096 1.00 3.12 N ATOM 63 CA SER A 300 16.473 13.102 -13.999 1.00 12.04 C ATOM 64 C SER A 300 17.238 12.190 -13.094 1.00 55.23 C ATOM 65 O SER A 300 17.645 11.118 -13.527 1.00 3.53 O ATOM 66 CB SER A 300 15.214 13.641 -13.242 1.00 32.21 C ATOM 67 OG SER A 300 14.248 14.169 -14.170 1.00 2.40 O ATOM 0 H SER A 300 16.284 11.251 -14.874 1.00 3.12 H new ATOM 0 HA SER A 300 16.991 14.002 -14.330 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.763 12.838 -12.658 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.512 14.418 -12.538 1.00 32.21 H new ATOM 0 HG SER A 300 13.545 14.641 -13.677 1.00 2.40 H new ATOM 73 N ALA A 301 17.453 12.567 -11.831 1.00 41.01 N ATOM 74 CA ALA A 301 18.196 11.702 -10.921 1.00 13.55 C ATOM 75 C ALA A 301 17.332 10.514 -10.545 1.00 40.31 C ATOM 76 O ALA A 301 16.147 10.652 -10.305 1.00 4.35 O ATOM 77 CB ALA A 301 18.606 12.402 -9.613 1.00 62.14 C ATOM 0 H ALA A 301 17.130 13.445 -11.425 1.00 41.01 H new ATOM 0 HA ALA A 301 19.102 11.407 -11.450 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.155 11.702 -8.982 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.240 13.258 -9.842 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.714 12.742 -9.087 1.00 62.14 H new ATOM 83 N CYS A 302 17.941 9.278 -10.554 1.00 65.22 N ATOM 84 CA CYS A 302 17.275 8.051 -10.057 1.00 52.23 C ATOM 85 C CYS A 302 16.929 8.335 -8.623 1.00 22.22 C ATOM 86 O CYS A 302 17.819 8.427 -7.809 1.00 13.50 O ATOM 87 CB CYS A 302 18.243 6.806 -10.106 1.00 40.05 C ATOM 88 SG CYS A 302 17.538 5.187 -9.553 1.00 41.41 S ATOM 0 H CYS A 302 18.887 9.122 -10.901 1.00 65.22 H new ATOM 0 HA CYS A 302 16.406 7.813 -10.671 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.599 6.691 -11.130 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.114 7.027 -9.489 1.00 40.05 H new ATOM 93 N VAL A 303 15.613 8.312 -8.292 1.00 60.23 N ATOM 94 CA VAL A 303 15.123 8.823 -7.006 1.00 1.53 C ATOM 95 C VAL A 303 15.572 7.939 -5.864 1.00 55.21 C ATOM 96 O VAL A 303 15.533 8.336 -4.712 1.00 64.33 O ATOM 97 CB VAL A 303 13.603 8.944 -6.952 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.134 9.814 -8.130 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.951 7.537 -6.976 1.00 21.51 C ATOM 0 H VAL A 303 14.882 7.945 -8.902 1.00 60.23 H new ATOM 0 HA VAL A 303 15.550 9.821 -6.906 1.00 1.53 H new ATOM 0 HB VAL A 303 13.295 9.423 -6.022 1.00 31.35 H new ATOM 0 HG11 VAL A 303 12.048 9.908 -8.103 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.586 10.803 -8.055 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.434 9.348 -9.069 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.866 7.638 -6.937 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.235 7.020 -7.893 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.293 6.963 -6.115 1.00 21.51 H new ATOM 109 N VAL A 304 16.000 6.710 -6.179 1.00 52.44 N ATOM 110 CA VAL A 304 16.375 5.792 -5.140 1.00 52.14 C ATOM 111 C VAL A 304 17.850 5.944 -4.824 1.00 61.13 C ATOM 112 O VAL A 304 18.218 6.048 -3.669 1.00 1.01 O ATOM 113 CB VAL A 304 16.081 4.327 -5.483 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.466 3.670 -4.239 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.117 4.260 -6.697 1.00 53.52 C ATOM 0 H VAL A 304 16.088 6.350 -7.129 1.00 52.44 H new ATOM 0 HA VAL A 304 15.765 6.046 -4.273 1.00 52.14 H new ATOM 0 HB VAL A 304 16.992 3.795 -5.759 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.245 2.624 -4.452 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.171 3.731 -3.410 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.545 4.188 -3.971 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.909 3.218 -6.939 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.185 4.768 -6.450 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.579 4.747 -7.556 1.00 53.52 H new ATOM 125 N CYS A 305 18.735 5.975 -5.854 1.00 63.32 N ATOM 126 CA CYS A 305 20.171 5.991 -5.557 1.00 41.05 C ATOM 127 C CYS A 305 20.675 7.418 -5.484 1.00 43.21 C ATOM 128 O CYS A 305 21.423 7.749 -4.594 1.00 62.24 O ATOM 129 CB CYS A 305 21.060 5.123 -6.530 1.00 12.01 C ATOM 130 SG CYS A 305 20.902 5.544 -8.299 1.00 4.10 S ATOM 0 H CYS A 305 18.488 5.989 -6.844 1.00 63.32 H new ATOM 0 HA CYS A 305 20.276 5.510 -4.584 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.104 5.232 -6.238 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.799 4.073 -6.397 1.00 12.01 H new ATOM 135 N LEU A 306 20.314 8.260 -6.504 1.00 53.52 N ATOM 136 CA LEU A 306 20.663 9.700 -6.558 1.00 3.23 C ATOM 137 C LEU A 306 22.053 9.820 -7.121 1.00 5.21 C ATOM 138 O LEU A 306 22.674 10.879 -7.075 1.00 41.44 O ATOM 139 CB LEU A 306 20.592 10.512 -5.211 1.00 40.53 C ATOM 140 CG LEU A 306 19.159 10.751 -4.663 1.00 54.35 C ATOM 141 CD1 LEU A 306 18.170 11.232 -5.730 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.610 9.559 -3.864 1.00 13.34 C ATOM 0 H LEU A 306 19.771 7.948 -7.309 1.00 53.52 H new ATOM 0 HA LEU A 306 19.890 10.151 -7.180 1.00 3.23 H new ATOM 0 HB2 LEU A 306 21.170 9.982 -4.454 1.00 40.53 H new ATOM 0 HB3 LEU A 306 21.073 11.478 -5.361 1.00 40.53 H new ATOM 0 HG LEU A 306 19.266 11.574 -3.956 1.00 54.35 H new ATOM 0 HD11 LEU A 306 17.189 11.379 -5.277 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.520 12.174 -6.152 1.00 61.24 H new ATOM 0 HD13 LEU A 306 18.097 10.486 -6.521 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.606 9.790 -3.509 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.575 8.677 -4.504 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.260 9.362 -3.011 1.00 13.34 H new ATOM 154 N SER A 307 22.575 8.716 -7.658 1.00 32.34 N ATOM 155 CA SER A 307 23.891 8.710 -8.245 1.00 55.11 C ATOM 156 C SER A 307 23.700 8.621 -9.729 1.00 41.01 C ATOM 157 O SER A 307 24.162 9.463 -10.476 1.00 35.33 O ATOM 158 CB SER A 307 24.733 7.494 -7.774 1.00 0.31 C ATOM 159 OG SER A 307 23.952 6.658 -6.898 1.00 34.14 O ATOM 0 H SER A 307 22.094 7.817 -7.692 1.00 32.34 H new ATOM 0 HA SER A 307 24.426 9.611 -7.945 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.067 6.918 -8.637 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.628 7.840 -7.256 1.00 0.31 H new ATOM 0 HG SER A 307 24.492 5.893 -6.608 1.00 34.14 H new ATOM 165 N SER A 308 22.950 7.598 -10.176 1.00 61.13 N ATOM 166 CA SER A 308 22.736 7.408 -11.589 1.00 35.51 C ATOM 167 C SER A 308 21.447 8.076 -11.910 1.00 24.53 C ATOM 168 O SER A 308 20.592 8.267 -11.014 1.00 72.34 O ATOM 169 CB SER A 308 22.634 5.922 -12.018 1.00 4.12 C ATOM 170 OG SER A 308 21.896 5.147 -11.060 1.00 60.11 O ATOM 0 H SER A 308 22.496 6.909 -9.576 1.00 61.13 H new ATOM 0 HA SER A 308 23.593 7.821 -12.122 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.149 5.856 -12.992 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.635 5.505 -12.131 1.00 4.12 H new ATOM 0 HG SER A 308 21.514 4.359 -11.501 1.00 60.11 H new ATOM 176 N PHE A 309 21.244 8.414 -13.187 1.00 52.35 N ATOM 177 CA PHE A 309 20.013 9.029 -13.619 1.00 15.31 C ATOM 178 C PHE A 309 18.953 7.956 -13.687 1.00 53.04 C ATOM 179 O PHE A 309 19.243 6.753 -13.576 1.00 11.05 O ATOM 180 CB PHE A 309 20.120 9.718 -15.017 1.00 5.01 C ATOM 181 CG PHE A 309 20.885 8.940 -16.063 1.00 44.54 C ATOM 182 CD1 PHE A 309 22.268 8.988 -16.112 1.00 3.12 C ATOM 183 CD2 PHE A 309 20.216 8.162 -16.987 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.956 8.273 -17.062 1.00 54.11 C ATOM 185 CE2 PHE A 309 20.911 7.451 -17.936 1.00 40.42 C ATOM 186 CZ PHE A 309 22.278 7.505 -17.972 1.00 60.35 C ATOM 0 H PHE A 309 21.926 8.266 -13.931 1.00 52.35 H new ATOM 0 HA PHE A 309 19.766 9.810 -12.900 1.00 15.31 H new ATOM 0 HB2 PHE A 309 19.113 9.904 -15.390 1.00 5.01 H new ATOM 0 HB3 PHE A 309 20.597 10.690 -14.889 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.809 9.592 -15.399 1.00 3.12 H new ATOM 0 HD2 PHE A 309 19.137 8.112 -16.964 1.00 33.21 H new ATOM 0 HE1 PHE A 309 24.035 8.316 -17.092 1.00 54.11 H new ATOM 0 HE2 PHE A 309 20.377 6.848 -18.655 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.822 6.943 -18.717 1.00 60.35 H new ATOM 196 N LYS A 310 17.679 8.376 -13.749 1.00 32.30 N ATOM 197 CA LYS A 310 16.592 7.443 -13.887 1.00 34.31 C ATOM 198 C LYS A 310 16.481 7.124 -15.336 1.00 32.34 C ATOM 199 O LYS A 310 16.547 7.999 -16.179 1.00 3.50 O ATOM 200 CB LYS A 310 15.223 7.971 -13.391 1.00 2.30 C ATOM 201 CG LYS A 310 14.948 9.427 -13.752 1.00 31.25 C ATOM 202 CD LYS A 310 13.548 9.652 -14.308 1.00 21.25 C ATOM 203 CE LYS A 310 12.862 10.893 -13.763 1.00 52.41 C ATOM 204 NZ LYS A 310 12.762 10.827 -12.284 1.00 3.02 N ATOM 0 H LYS A 310 17.396 9.355 -13.704 1.00 32.30 H new ATOM 0 HA LYS A 310 16.819 6.578 -13.264 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.432 7.349 -13.810 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.174 7.861 -12.308 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.084 10.047 -12.866 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.682 9.757 -14.487 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.607 9.728 -15.394 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.934 8.780 -14.082 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.420 11.782 -14.056 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.866 10.985 -14.197 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.776 10.640 -12.011 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.371 10.062 -11.929 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.069 11.732 -11.875 1.00 3.02 H new ATOM 218 N SER A 311 16.360 5.844 -15.632 1.00 11.14 N ATOM 219 CA SER A 311 16.283 5.386 -16.975 1.00 22.54 C ATOM 220 C SER A 311 15.316 4.237 -16.975 1.00 32.23 C ATOM 221 O SER A 311 15.528 3.241 -17.636 1.00 4.30 O ATOM 222 CB SER A 311 17.663 4.920 -17.545 1.00 2.43 C ATOM 223 OG SER A 311 18.729 5.340 -16.673 1.00 54.22 O ATOM 0 H SER A 311 16.314 5.102 -14.933 1.00 11.14 H new ATOM 0 HA SER A 311 15.959 6.205 -17.617 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.674 3.835 -17.648 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.813 5.337 -18.541 1.00 2.43 H new ATOM 0 HG SER A 311 19.137 6.158 -17.026 1.00 54.22 H new ATOM 229 N CYS A 312 14.253 4.334 -16.164 1.00 60.44 N ATOM 230 CA CYS A 312 13.284 3.263 -16.109 1.00 23.43 C ATOM 231 C CYS A 312 11.966 3.859 -15.801 1.00 41.45 C ATOM 232 O CYS A 312 11.781 4.541 -14.757 1.00 72.14 O ATOM 233 CB CYS A 312 13.560 2.176 -15.035 1.00 35.42 C ATOM 234 SG CYS A 312 14.894 1.043 -15.511 1.00 32.40 S ATOM 0 H CYS A 312 14.056 5.129 -15.556 1.00 60.44 H new ATOM 0 HA CYS A 312 13.332 2.764 -17.077 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.819 2.660 -14.093 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.649 1.604 -14.860 1.00 35.42 H new ATOM 0 HG CYS A 312 15.550 1.543 -16.516 1.00 32.40 H new ATOM 240 N VAL A 313 11.019 3.609 -16.723 1.00 23.14 N ATOM 241 CA VAL A 313 9.665 4.001 -16.582 1.00 42.01 C ATOM 242 C VAL A 313 9.013 2.781 -16.023 1.00 22.21 C ATOM 243 O VAL A 313 9.220 1.671 -16.521 1.00 72.23 O ATOM 244 CB VAL A 313 8.986 4.329 -17.913 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.638 5.025 -17.644 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.926 5.197 -18.781 1.00 23.42 C ATOM 0 H VAL A 313 11.211 3.116 -17.595 1.00 23.14 H new ATOM 0 HA VAL A 313 9.588 4.902 -15.973 1.00 42.01 H new ATOM 0 HB VAL A 313 8.783 3.413 -18.467 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.154 5.259 -18.592 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.996 4.363 -17.062 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.809 5.946 -17.087 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.437 5.428 -19.728 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.154 6.124 -18.255 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.850 4.652 -18.973 1.00 23.42 H new ATOM 256 N PHE A 314 8.249 2.942 -14.966 1.00 53.34 N ATOM 257 CA PHE A 314 7.596 1.824 -14.363 1.00 71.45 C ATOM 258 C PHE A 314 6.235 1.777 -14.941 1.00 24.23 C ATOM 259 O PHE A 314 5.424 2.734 -14.755 1.00 41.12 O ATOM 260 CB PHE A 314 7.487 1.938 -12.828 1.00 11.23 C ATOM 261 CG PHE A 314 8.785 1.662 -12.097 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.673 0.689 -12.552 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.110 2.366 -10.953 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.834 0.439 -11.879 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.284 2.105 -10.286 1.00 54.21 C ATOM 266 CZ PHE A 314 11.141 1.142 -10.750 1.00 0.53 C ATOM 0 H PHE A 314 8.071 3.839 -14.514 1.00 53.34 H new ATOM 0 HA PHE A 314 8.178 0.924 -14.561 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.143 2.940 -12.572 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.727 1.241 -12.475 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.441 0.128 -13.445 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.438 3.125 -10.581 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.513 -0.319 -12.242 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.531 2.661 -9.394 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.061 0.939 -10.222 1.00 0.53 H new ATOM 276 N LEU A 315 5.905 0.655 -15.647 1.00 41.41 N ATOM 277 CA LEU A 315 4.618 0.556 -16.254 1.00 40.44 C ATOM 278 C LEU A 315 3.693 0.194 -15.161 1.00 63.54 C ATOM 279 O LEU A 315 3.687 -0.930 -14.655 1.00 3.15 O ATOM 280 CB LEU A 315 4.540 -0.578 -17.311 1.00 75.44 C ATOM 281 CG LEU A 315 3.650 -0.266 -18.531 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.991 -1.170 -19.726 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.146 -0.321 -18.193 1.00 54.14 C ATOM 0 H LEU A 315 6.517 -0.149 -15.786 1.00 41.41 H new ATOM 0 HA LEU A 315 4.384 1.495 -16.756 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.548 -0.798 -17.662 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.166 -1.481 -16.828 1.00 75.44 H new ATOM 0 HG LEU A 315 3.869 0.762 -18.820 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.344 -0.921 -20.567 1.00 22.15 H new ATOM 0 HD12 LEU A 315 5.032 -1.018 -20.012 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.840 -2.213 -19.448 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.564 -0.094 -19.086 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.889 -1.319 -17.837 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.920 0.411 -17.417 1.00 54.14 H new ATOM 295 N GLU A 316 3.057 1.188 -14.655 1.00 75.43 N ATOM 296 CA GLU A 316 1.952 1.054 -13.819 1.00 15.30 C ATOM 297 C GLU A 316 1.105 2.194 -14.218 1.00 13.31 C ATOM 298 O GLU A 316 0.043 2.103 -14.790 1.00 42.02 O ATOM 299 CB GLU A 316 2.273 1.099 -12.305 1.00 32.43 C ATOM 300 CG GLU A 316 3.785 1.178 -11.997 1.00 3.53 C ATOM 301 CD GLU A 316 3.981 1.605 -10.561 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.737 0.963 -9.855 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.431 2.686 -10.172 1.00 71.34 O ATOM 0 H GLU A 316 3.317 2.159 -14.830 1.00 75.43 H new ATOM 0 HA GLU A 316 1.487 0.075 -13.935 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.775 1.961 -11.862 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.859 0.211 -11.827 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.254 0.209 -12.167 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.268 1.888 -12.669 1.00 3.53 H new ATOM 310 N CYS A 317 1.737 3.338 -13.913 1.00 53.42 N ATOM 311 CA CYS A 317 1.193 4.665 -13.955 1.00 43.05 C ATOM 312 C CYS A 317 1.994 5.482 -14.961 1.00 2.30 C ATOM 313 O CYS A 317 1.580 6.566 -15.337 1.00 52.42 O ATOM 314 CB CYS A 317 1.450 5.337 -12.582 1.00 31.35 C ATOM 315 SG CYS A 317 3.117 4.815 -11.999 1.00 24.30 S ATOM 0 H CYS A 317 2.711 3.338 -13.611 1.00 53.42 H new ATOM 0 HA CYS A 317 0.133 4.621 -14.207 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.400 6.422 -12.673 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.685 5.042 -11.864 1.00 31.35 H new ATOM 320 N GLY A 318 3.199 4.984 -15.407 1.00 52.45 N ATOM 321 CA GLY A 318 4.012 5.780 -16.321 1.00 33.10 C ATOM 322 C GLY A 318 4.919 6.710 -15.560 1.00 72.43 C ATOM 323 O GLY A 318 5.317 7.741 -16.083 1.00 4.22 O ATOM 0 H GLY A 318 3.590 4.078 -15.149 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.607 5.121 -16.953 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.365 6.356 -16.982 1.00 33.10 H new ATOM 327 N HIS A 319 5.261 6.381 -14.286 1.00 34.30 N ATOM 328 CA HIS A 319 6.191 7.228 -13.528 1.00 21.20 C ATOM 329 C HIS A 319 7.564 6.789 -13.955 1.00 62.21 C ATOM 330 O HIS A 319 7.793 5.591 -14.113 1.00 54.24 O ATOM 331 CB HIS A 319 6.100 7.054 -11.973 1.00 11.44 C ATOM 332 CG HIS A 319 5.282 8.123 -11.229 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.422 7.751 -10.187 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.233 9.468 -11.412 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.873 8.874 -9.782 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.328 9.940 -10.483 1.00 24.34 N ATOM 0 H HIS A 319 4.915 5.562 -13.785 1.00 34.30 H new ATOM 0 HA HIS A 319 5.954 8.272 -13.733 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.666 6.077 -11.760 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.111 7.049 -11.567 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.787 10.048 -12.135 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.146 8.939 -8.986 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.052 10.913 -10.349 1.00 24.34 H new ATOM 344 N VAL A 320 8.506 7.729 -14.064 1.00 23.20 N ATOM 345 CA VAL A 320 9.863 7.411 -14.450 1.00 11.20 C ATOM 346 C VAL A 320 10.629 7.779 -13.240 1.00 73.52 C ATOM 347 O VAL A 320 10.522 8.913 -12.791 1.00 5.12 O ATOM 348 CB VAL A 320 10.374 8.250 -15.624 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.529 7.499 -16.313 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.206 8.521 -16.591 1.00 42.11 C ATOM 0 H VAL A 320 8.342 8.720 -13.887 1.00 23.20 H new ATOM 0 HA VAL A 320 9.951 6.374 -14.775 1.00 11.20 H new ATOM 0 HB VAL A 320 10.757 9.211 -15.280 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.899 8.090 -17.151 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.336 7.338 -15.598 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.171 6.537 -16.678 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.560 9.118 -17.431 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.812 7.574 -16.960 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.418 9.063 -16.067 1.00 42.11 H new ATOM 360 N CYS A 321 11.347 6.826 -12.595 1.00 65.43 N ATOM 361 CA CYS A 321 12.011 7.232 -11.365 1.00 0.22 C ATOM 362 C CYS A 321 13.211 6.369 -11.045 1.00 51.53 C ATOM 363 O CYS A 321 14.061 6.774 -10.233 1.00 51.33 O ATOM 364 CB CYS A 321 11.055 7.216 -10.133 1.00 24.13 C ATOM 365 SG CYS A 321 9.545 6.207 -10.409 1.00 22.10 S ATOM 0 H CYS A 321 11.468 5.856 -12.885 1.00 65.43 H new ATOM 0 HA CYS A 321 12.339 8.255 -11.551 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.592 6.827 -9.268 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.763 8.238 -9.893 1.00 24.13 H new ATOM 0 HG CYS A 321 9.769 4.981 -10.039 1.00 22.10 H new ATOM 371 N SER A 322 13.363 5.181 -11.658 1.00 34.11 N ATOM 372 CA SER A 322 14.424 4.298 -11.213 1.00 22.42 C ATOM 373 C SER A 322 15.408 4.116 -12.308 1.00 62.14 C ATOM 374 O SER A 322 15.269 4.643 -13.373 1.00 5.32 O ATOM 375 CB SER A 322 13.948 2.914 -10.707 1.00 51.01 C ATOM 376 OG SER A 322 14.868 2.401 -9.714 1.00 44.43 O ATOM 0 H SER A 322 12.788 4.833 -12.426 1.00 34.11 H new ATOM 0 HA SER A 322 14.875 4.788 -10.350 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.949 2.999 -10.278 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.878 2.218 -11.543 1.00 51.01 H new ATOM 0 HG SER A 322 14.556 1.527 -9.400 1.00 44.43 H new ATOM 382 N CYS A 323 16.467 3.358 -12.004 1.00 5.25 N ATOM 383 CA CYS A 323 17.534 3.106 -12.938 1.00 1.21 C ATOM 384 C CYS A 323 17.595 1.618 -12.991 1.00 1.33 C ATOM 385 O CYS A 323 17.272 0.979 -11.981 1.00 5.33 O ATOM 386 CB CYS A 323 18.937 3.760 -12.530 1.00 11.13 C ATOM 387 SG CYS A 323 19.930 2.870 -11.267 1.00 60.31 S ATOM 0 H CYS A 323 16.595 2.908 -11.098 1.00 5.25 H new ATOM 0 HA CYS A 323 17.337 3.569 -13.905 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.542 3.856 -13.432 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.748 4.769 -12.164 1.00 11.13 H new ATOM 392 N THR A 324 18.007 1.051 -14.138 1.00 73.12 N ATOM 393 CA THR A 324 17.968 -0.393 -14.400 1.00 14.10 C ATOM 394 C THR A 324 18.618 -1.184 -13.281 1.00 0.50 C ATOM 395 O THR A 324 18.009 -2.094 -12.722 1.00 11.40 O ATOM 396 CB THR A 324 18.638 -0.758 -15.725 1.00 24.21 C ATOM 397 OG1 THR A 324 18.621 0.370 -16.614 1.00 40.33 O ATOM 398 CG2 THR A 324 17.885 -1.935 -16.366 1.00 22.34 C ATOM 0 H THR A 324 18.381 1.592 -14.918 1.00 73.12 H new ATOM 0 HA THR A 324 16.912 -0.657 -14.459 1.00 14.10 H new ATOM 0 HB THR A 324 19.673 -1.043 -15.538 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.054 0.127 -17.459 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.359 -2.199 -17.311 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.912 -2.793 -15.695 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.849 -1.649 -16.547 1.00 22.34 H new ATOM 406 N GLU A 325 19.847 -0.811 -12.893 1.00 32.31 N ATOM 407 CA GLU A 325 20.589 -1.586 -11.919 1.00 3.13 C ATOM 408 C GLU A 325 19.923 -1.524 -10.560 1.00 73.11 C ATOM 409 O GLU A 325 20.026 -2.450 -9.789 1.00 53.33 O ATOM 410 CB GLU A 325 22.044 -1.125 -11.789 1.00 13.20 C ATOM 411 CG GLU A 325 22.844 -1.360 -13.084 1.00 20.24 C ATOM 412 CD GLU A 325 24.173 -0.654 -12.973 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.181 0.606 -13.078 1.00 0.43 O ATOM 414 OE2 GLU A 325 25.209 -1.359 -12.773 1.00 1.21 O ATOM 0 H GLU A 325 20.334 0.015 -13.241 1.00 32.31 H new ATOM 0 HA GLU A 325 20.591 -2.614 -12.282 1.00 3.13 H new ATOM 0 HB2 GLU A 325 22.067 -0.065 -11.537 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.521 -1.659 -10.967 1.00 13.20 H new ATOM 0 HG2 GLU A 325 22.996 -2.427 -13.244 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.289 -0.985 -13.943 1.00 20.24 H new ATOM 421 N CYS A 326 19.211 -0.415 -10.264 1.00 11.31 N ATOM 422 CA CYS A 326 18.529 -0.272 -8.962 1.00 73.35 C ATOM 423 C CYS A 326 17.423 -1.294 -8.906 1.00 74.41 C ATOM 424 O CYS A 326 17.221 -1.950 -7.894 1.00 34.23 O ATOM 425 CB CYS A 326 17.855 1.119 -8.745 1.00 12.13 C ATOM 426 SG CYS A 326 18.773 2.254 -7.663 1.00 12.13 S ATOM 0 H CYS A 326 19.095 0.378 -10.895 1.00 11.31 H new ATOM 0 HA CYS A 326 19.294 -0.398 -8.196 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.719 1.596 -9.716 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.861 0.963 -8.324 1.00 12.13 H new ATOM 431 N TYR A 327 16.669 -1.406 -10.015 1.00 1.14 N ATOM 432 CA TYR A 327 15.529 -2.295 -10.080 1.00 53.51 C ATOM 433 C TYR A 327 16.031 -3.717 -9.981 1.00 40.03 C ATOM 434 O TYR A 327 15.794 -4.407 -8.992 1.00 65.21 O ATOM 435 CB TYR A 327 14.743 -2.124 -11.422 1.00 2.03 C ATOM 436 CG TYR A 327 13.516 -2.986 -11.584 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.324 -2.632 -10.992 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.566 -4.144 -12.339 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.208 -3.413 -11.147 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.446 -4.925 -12.490 1.00 42.42 C ATOM 441 CZ TYR A 327 11.268 -4.558 -11.892 1.00 12.12 C ATOM 442 OH TYR A 327 10.121 -5.360 -12.038 1.00 32.23 O ATOM 0 H TYR A 327 16.842 -0.883 -10.874 1.00 1.14 H new ATOM 0 HA TYR A 327 14.851 -2.057 -9.260 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.444 -1.080 -11.514 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.423 -2.335 -12.248 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.268 -1.730 -10.400 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.492 -4.436 -12.813 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.279 -3.123 -10.679 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.493 -5.828 -13.080 1.00 42.42 H new ATOM 0 HH TYR A 327 10.333 -6.136 -12.598 1.00 32.23 H new ATOM 452 N ARG A 328 16.870 -4.110 -10.963 1.00 14.23 N ATOM 453 CA ARG A 328 17.286 -5.499 -11.146 1.00 1.44 C ATOM 454 C ARG A 328 18.016 -6.006 -9.925 1.00 2.01 C ATOM 455 O ARG A 328 17.979 -7.201 -9.618 1.00 33.14 O ATOM 456 CB ARG A 328 18.206 -5.675 -12.377 1.00 60.12 C ATOM 457 CG ARG A 328 18.140 -7.064 -13.006 1.00 4.13 C ATOM 458 CD ARG A 328 19.416 -7.877 -12.781 1.00 42.02 C ATOM 459 NE ARG A 328 19.124 -9.316 -13.061 1.00 74.14 N ATOM 460 CZ ARG A 328 18.848 -10.198 -12.047 1.00 61.41 C ATOM 461 NH1 ARG A 328 18.770 -9.765 -10.751 1.00 40.03 N ATOM 462 NH2 ARG A 328 18.638 -11.521 -12.337 1.00 74.14 N ATOM 0 H ARG A 328 17.272 -3.467 -11.645 1.00 14.23 H new ATOM 0 HA ARG A 328 16.374 -6.075 -11.304 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.936 -4.933 -13.129 1.00 60.12 H new ATOM 0 HB3 ARG A 328 19.235 -5.469 -12.082 1.00 60.12 H new ATOM 0 HG2 ARG A 328 17.291 -7.606 -12.590 1.00 4.13 H new ATOM 0 HG3 ARG A 328 17.962 -6.965 -14.077 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.212 -7.519 -13.434 1.00 42.02 H new ATOM 0 HD3 ARG A 328 19.766 -7.755 -11.756 1.00 42.02 H new ATOM 0 HE ARG A 328 19.130 -9.649 -14.025 1.00 74.14 H new ATOM 0 HH11 ARG A 328 18.918 -8.780 -10.533 1.00 40.03 H new ATOM 0 HH12 ARG A 328 18.564 -10.428 -10.003 1.00 40.03 H new ATOM 0 HH21 ARG A 328 18.687 -11.845 -13.303 1.00 74.14 H new ATOM 0 HH22 ARG A 328 18.432 -12.181 -11.587 1.00 74.14 H new ATOM 476 N ALA A 329 18.681 -5.109 -9.209 1.00 34.12 N ATOM 477 CA ALA A 329 19.419 -5.503 -8.042 1.00 32.33 C ATOM 478 C ALA A 329 18.456 -5.769 -6.914 1.00 20.24 C ATOM 479 O ALA A 329 18.491 -6.827 -6.320 1.00 24.43 O ATOM 480 CB ALA A 329 20.409 -4.425 -7.552 1.00 35.35 C ATOM 0 H ALA A 329 18.718 -4.112 -9.423 1.00 34.12 H new ATOM 0 HA ALA A 329 19.988 -6.389 -8.324 1.00 32.33 H new ATOM 0 HB1 ALA A 329 20.933 -4.787 -6.668 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.131 -4.210 -8.339 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.862 -3.516 -7.302 1.00 35.35 H new ATOM 486 N LEU A 330 17.602 -4.779 -6.607 1.00 55.31 N ATOM 487 CA LEU A 330 16.743 -4.811 -5.404 1.00 12.04 C ATOM 488 C LEU A 330 15.611 -5.789 -5.584 1.00 34.21 C ATOM 489 O LEU A 330 14.709 -5.515 -6.353 1.00 64.45 O ATOM 490 CB LEU A 330 16.099 -3.419 -5.132 1.00 2.21 C ATOM 491 CG LEU A 330 15.160 -3.348 -3.908 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.758 -3.986 -2.642 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.664 -1.917 -3.642 1.00 35.24 C ATOM 0 H LEU A 330 17.485 -3.941 -7.176 1.00 55.31 H new ATOM 0 HA LEU A 330 17.383 -5.103 -4.572 1.00 12.04 H new ATOM 0 HB2 LEU A 330 16.897 -2.689 -4.998 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.537 -3.119 -6.017 1.00 2.21 H new ATOM 0 HG LEU A 330 14.292 -3.953 -4.170 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.046 -3.901 -1.821 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.971 -5.038 -2.831 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.681 -3.471 -2.376 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.007 -1.915 -2.772 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.517 -1.265 -3.453 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.116 -1.554 -4.512 1.00 35.24 H new ATOM 505 N PRO A 331 15.587 -6.944 -4.890 1.00 43.45 N ATOM 506 CA PRO A 331 14.416 -7.767 -4.987 1.00 14.23 C ATOM 507 C PRO A 331 13.472 -7.553 -3.827 1.00 32.41 C ATOM 508 O PRO A 331 13.780 -7.837 -2.663 1.00 72.24 O ATOM 509 CB PRO A 331 15.020 -9.175 -4.911 1.00 20.10 C ATOM 510 CG PRO A 331 16.310 -9.014 -4.060 1.00 42.23 C ATOM 511 CD PRO A 331 16.590 -7.497 -3.987 1.00 11.40 C ATOM 0 HA PRO A 331 13.825 -7.563 -5.880 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.327 -9.877 -4.448 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.248 -9.561 -5.905 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.174 -9.433 -3.063 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.146 -9.543 -4.517 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.478 -7.113 -2.973 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.603 -7.256 -4.310 1.00 11.40 H new ATOM 519 N GLU A 332 12.320 -7.034 -4.138 1.00 4.04 N ATOM 520 CA GLU A 332 11.182 -6.971 -3.269 1.00 11.33 C ATOM 521 C GLU A 332 10.113 -7.016 -4.269 1.00 1.43 C ATOM 522 O GLU A 332 10.412 -7.038 -5.463 1.00 51.41 O ATOM 523 CB GLU A 332 11.076 -5.639 -2.458 1.00 42.54 C ATOM 524 CG GLU A 332 12.060 -4.565 -2.930 1.00 31.41 C ATOM 525 CD GLU A 332 11.644 -3.219 -2.369 1.00 12.14 C ATOM 526 OE1 GLU A 332 10.739 -2.585 -2.968 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.227 -2.800 -1.339 1.00 13.13 O ATOM 0 H GLU A 332 12.140 -6.622 -5.053 1.00 4.04 H new ATOM 0 HA GLU A 332 11.186 -7.745 -2.502 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.060 -5.252 -2.538 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.255 -5.848 -1.403 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.070 -4.812 -2.602 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.079 -4.527 -4.019 1.00 31.41 H new ATOM 534 N PRO A 333 8.865 -7.024 -3.882 1.00 43.41 N ATOM 535 CA PRO A 333 7.892 -6.535 -4.819 1.00 0.21 C ATOM 536 C PRO A 333 8.040 -5.039 -4.750 1.00 55.03 C ATOM 537 O PRO A 333 7.868 -4.448 -3.677 1.00 73.34 O ATOM 538 CB PRO A 333 6.533 -6.984 -4.257 1.00 53.41 C ATOM 539 CG PRO A 333 6.792 -7.361 -2.783 1.00 33.34 C ATOM 540 CD PRO A 333 8.308 -7.544 -2.626 1.00 61.22 C ATOM 0 HA PRO A 333 7.996 -6.884 -5.846 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.795 -6.185 -4.333 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.141 -7.834 -4.815 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.427 -6.581 -2.115 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.264 -8.278 -2.521 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.688 -6.995 -1.764 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.570 -8.592 -2.478 1.00 61.22 H new ATOM 548 N LYS A 334 8.370 -4.397 -5.864 1.00 63.34 N ATOM 549 CA LYS A 334 8.719 -3.012 -5.791 1.00 42.33 C ATOM 550 C LYS A 334 7.522 -2.195 -5.991 1.00 74.32 C ATOM 551 O LYS A 334 6.652 -2.503 -6.812 1.00 41.42 O ATOM 552 CB LYS A 334 9.791 -2.595 -6.809 1.00 1.23 C ATOM 553 CG LYS A 334 11.196 -3.039 -6.400 1.00 33.31 C ATOM 554 CD LYS A 334 11.982 -3.647 -7.545 1.00 65.11 C ATOM 555 CE LYS A 334 11.820 -5.156 -7.635 1.00 3.41 C ATOM 556 NZ LYS A 334 12.212 -5.636 -8.971 1.00 42.02 N ATOM 0 H LYS A 334 8.399 -4.811 -6.796 1.00 63.34 H new ATOM 0 HA LYS A 334 9.143 -2.851 -4.800 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.548 -3.022 -7.782 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.776 -1.511 -6.924 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.742 -2.181 -6.007 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.120 -3.767 -5.592 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.658 -3.195 -8.482 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.038 -3.406 -7.423 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.432 -5.640 -6.874 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.784 -5.430 -7.433 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 11.821 -6.587 -9.127 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.843 -4.987 -9.695 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.249 -5.673 -9.036 1.00 42.02 H new ATOM 570 N LYS A 335 7.453 -1.130 -5.203 1.00 53.21 N ATOM 571 CA LYS A 335 6.388 -0.212 -5.286 1.00 2.12 C ATOM 572 C LYS A 335 6.963 1.004 -5.922 1.00 32.14 C ATOM 573 O LYS A 335 8.154 1.292 -5.789 1.00 5.11 O ATOM 574 CB LYS A 335 5.801 0.185 -3.906 1.00 11.43 C ATOM 575 CG LYS A 335 5.484 -1.020 -3.006 1.00 64.11 C ATOM 576 CD LYS A 335 4.210 -1.784 -3.425 1.00 32.13 C ATOM 577 CE LYS A 335 4.406 -3.306 -3.545 1.00 3.03 C ATOM 578 NZ LYS A 335 5.175 -3.823 -2.391 1.00 3.33 N ATOM 0 H LYS A 335 8.150 -0.902 -4.494 1.00 53.21 H new ATOM 0 HA LYS A 335 5.568 -0.664 -5.845 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.509 0.836 -3.393 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.890 0.763 -4.060 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.331 -1.706 -3.020 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.370 -0.676 -1.978 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.423 -1.585 -2.697 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.864 -1.396 -4.383 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.436 -3.801 -3.594 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.930 -3.539 -4.472 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.796 -4.749 -2.108 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.175 -3.925 -2.658 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.096 -3.158 -1.595 1.00 3.33 H new ATOM 592 N CYS A 336 6.116 1.729 -6.654 1.00 61.41 N ATOM 593 CA CYS A 336 6.478 2.978 -7.295 1.00 71.43 C ATOM 594 C CYS A 336 6.951 3.909 -6.195 1.00 61.25 C ATOM 595 O CYS A 336 6.170 4.263 -5.361 1.00 34.14 O ATOM 596 CB CYS A 336 5.247 3.648 -7.955 1.00 32.33 C ATOM 597 SG CYS A 336 5.659 4.676 -9.406 1.00 64.11 S ATOM 0 H CYS A 336 5.147 1.455 -6.816 1.00 61.41 H new ATOM 0 HA CYS A 336 7.232 2.788 -8.058 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.542 2.874 -8.258 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.741 4.267 -7.214 1.00 32.33 H new ATOM 602 N PRO A 337 8.186 4.368 -6.238 1.00 34.42 N ATOM 603 CA PRO A 337 8.735 5.230 -5.165 1.00 21.33 C ATOM 604 C PRO A 337 7.977 6.518 -4.956 1.00 73.22 C ATOM 605 O PRO A 337 8.034 7.122 -3.891 1.00 63.54 O ATOM 606 CB PRO A 337 10.184 5.527 -5.604 1.00 45.24 C ATOM 607 CG PRO A 337 10.242 5.150 -7.077 1.00 3.53 C ATOM 608 CD PRO A 337 9.170 4.089 -7.290 1.00 43.01 C ATOM 0 HA PRO A 337 8.662 4.718 -4.206 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.432 6.578 -5.457 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.899 4.946 -5.021 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.059 6.020 -7.708 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.227 4.766 -7.341 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.726 4.163 -8.283 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.579 3.083 -7.198 1.00 43.01 H new ATOM 616 N ILE A 338 7.241 6.955 -5.993 1.00 63.43 N ATOM 617 CA ILE A 338 6.534 8.196 -5.923 1.00 31.43 C ATOM 618 C ILE A 338 5.109 7.944 -5.456 1.00 42.52 C ATOM 619 O ILE A 338 4.608 8.650 -4.613 1.00 3.14 O ATOM 620 CB ILE A 338 6.458 8.915 -7.272 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.632 8.539 -8.208 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.415 10.421 -7.020 1.00 15.10 C ATOM 623 CD1 ILE A 338 8.980 9.086 -7.746 1.00 54.23 C ATOM 0 H ILE A 338 7.135 6.453 -6.875 1.00 63.43 H new ATOM 0 HA ILE A 338 7.085 8.827 -5.226 1.00 31.43 H new ATOM 0 HB ILE A 338 5.551 8.597 -7.786 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.695 7.453 -8.280 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.421 8.913 -9.210 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.361 10.948 -7.973 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.538 10.665 -6.420 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.315 10.727 -6.487 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.756 8.783 -8.449 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.935 10.174 -7.701 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.213 8.692 -6.757 1.00 54.23 H new ATOM 635 N CYS A 339 4.447 6.873 -5.967 1.00 23.50 N ATOM 636 CA CYS A 339 2.994 6.771 -5.761 1.00 62.11 C ATOM 637 C CYS A 339 2.636 5.519 -4.981 1.00 22.20 C ATOM 638 O CYS A 339 1.489 5.298 -4.665 1.00 44.02 O ATOM 639 CB CYS A 339 2.197 6.814 -7.105 1.00 74.34 C ATOM 640 SG CYS A 339 2.308 5.272 -8.077 1.00 23.45 S ATOM 0 H CYS A 339 4.874 6.112 -6.495 1.00 23.50 H new ATOM 0 HA CYS A 339 2.704 7.645 -5.178 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.149 7.022 -6.889 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.568 7.641 -7.710 1.00 74.34 H new ATOM 645 N ARG A 340 3.627 4.648 -4.726 1.00 0.23 N ATOM 646 CA ARG A 340 3.452 3.437 -3.921 1.00 44.01 C ATOM 647 C ARG A 340 2.525 2.408 -4.552 1.00 41.33 C ATOM 648 O ARG A 340 2.035 1.521 -3.872 1.00 40.31 O ATOM 649 CB ARG A 340 3.085 3.698 -2.450 1.00 2.21 C ATOM 650 CG ARG A 340 4.114 4.599 -1.742 1.00 62.24 C ATOM 651 CD ARG A 340 5.542 4.030 -1.797 1.00 24.30 C ATOM 652 NE ARG A 340 6.493 5.073 -1.318 1.00 41.44 N ATOM 653 CZ ARG A 340 7.832 4.794 -1.285 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.279 3.567 -1.695 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.722 5.730 -0.844 1.00 23.13 N ATOM 0 H ARG A 340 4.577 4.769 -5.077 1.00 0.23 H new ATOM 0 HA ARG A 340 4.450 2.998 -3.910 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.101 4.165 -2.401 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.013 2.747 -1.922 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.103 5.587 -2.203 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.820 4.730 -0.701 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.617 3.137 -1.176 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.791 3.732 -2.815 1.00 24.30 H new ATOM 0 HE ARG A 340 6.149 5.985 -1.018 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.615 2.866 -2.023 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.276 3.354 -1.672 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.390 6.644 -0.536 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.719 5.515 -0.822 1.00 23.13 H new ATOM 669 N GLN A 341 2.250 2.522 -5.869 1.00 53.15 N ATOM 670 CA GLN A 341 1.516 1.468 -6.572 1.00 53.13 C ATOM 671 C GLN A 341 2.512 0.391 -6.848 1.00 72.12 C ATOM 672 O GLN A 341 3.681 0.695 -7.080 1.00 65.32 O ATOM 673 CB GLN A 341 1.021 1.894 -7.959 1.00 23.21 C ATOM 674 CG GLN A 341 -0.200 2.798 -7.961 1.00 72.31 C ATOM 675 CD GLN A 341 -0.321 3.355 -9.373 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.709 3.641 -10.031 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.554 3.510 -9.864 1.00 64.15 N ATOM 0 H GLN A 341 2.521 3.316 -6.449 1.00 53.15 H new ATOM 0 HA GLN A 341 0.661 1.189 -5.956 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.833 2.406 -8.475 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.791 0.998 -8.536 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.096 2.241 -7.685 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.088 3.603 -7.234 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.364 3.265 -9.295 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.685 3.873 -10.808 1.00 64.15 H new ATOM 686 N ALA A 342 2.065 -0.880 -6.834 1.00 72.33 N ATOM 687 CA ALA A 342 2.919 -2.013 -7.214 1.00 40.11 C ATOM 688 C ALA A 342 3.334 -1.831 -8.664 1.00 22.54 C ATOM 689 O ALA A 342 2.611 -1.206 -9.468 1.00 31.10 O ATOM 690 CB ALA A 342 2.219 -3.385 -7.089 1.00 13.42 C ATOM 0 H ALA A 342 1.118 -1.144 -6.563 1.00 72.33 H new ATOM 0 HA ALA A 342 3.767 -2.017 -6.529 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.910 -4.174 -7.386 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.910 -3.543 -6.056 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.343 -3.407 -7.737 1.00 13.42 H new ATOM 696 N ILE A 343 4.503 -2.377 -9.026 1.00 72.15 N ATOM 697 CA ILE A 343 5.007 -2.269 -10.374 1.00 61.45 C ATOM 698 C ILE A 343 4.473 -3.435 -11.167 1.00 71.34 C ATOM 699 O ILE A 343 4.522 -4.582 -10.726 1.00 40.31 O ATOM 700 CB ILE A 343 6.528 -2.245 -10.412 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.042 -0.974 -9.723 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.038 -2.341 -11.868 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.519 -0.997 -9.457 1.00 45.33 C ATOM 0 H ILE A 343 5.109 -2.897 -8.391 1.00 72.15 H new ATOM 0 HA ILE A 343 4.672 -1.327 -10.808 1.00 61.45 H new ATOM 0 HB ILE A 343 6.914 -3.110 -9.873 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.806 -0.111 -10.346 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.512 -0.841 -8.780 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.128 -2.322 -11.874 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.689 -3.272 -12.315 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.658 -1.497 -12.443 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.815 -0.069 -8.969 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.759 -1.840 -8.809 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.057 -1.099 -10.400 1.00 45.33 H new ATOM 715 N THR A 344 3.947 -3.129 -12.376 1.00 34.40 N ATOM 716 CA THR A 344 3.382 -4.127 -13.237 1.00 43.12 C ATOM 717 C THR A 344 4.436 -4.483 -14.296 1.00 75.41 C ATOM 718 O THR A 344 4.538 -5.637 -14.732 1.00 13.44 O ATOM 719 CB THR A 344 2.105 -3.601 -13.887 1.00 21.25 C ATOM 720 OG1 THR A 344 1.033 -3.569 -12.942 1.00 55.15 O ATOM 721 CG2 THR A 344 1.715 -4.422 -15.114 1.00 63.24 C ATOM 0 H THR A 344 3.915 -2.183 -12.756 1.00 34.40 H new ATOM 0 HA THR A 344 3.114 -5.018 -12.670 1.00 43.12 H new ATOM 0 HB THR A 344 2.305 -2.583 -14.222 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.224 -3.228 -13.377 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.801 -4.016 -15.548 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.517 -4.379 -15.851 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.548 -5.458 -14.820 1.00 63.24 H new ATOM 729 N ARG A 345 5.274 -3.514 -14.677 1.00 24.51 N ATOM 730 CA ARG A 345 6.269 -3.774 -15.702 1.00 0.13 C ATOM 731 C ARG A 345 7.280 -2.698 -15.627 1.00 24.52 C ATOM 732 O ARG A 345 7.087 -1.707 -14.939 1.00 52.01 O ATOM 733 CB ARG A 345 5.696 -3.813 -17.148 1.00 40.52 C ATOM 734 CG ARG A 345 6.067 -5.077 -17.929 1.00 75.14 C ATOM 735 CD ARG A 345 6.112 -4.850 -19.445 1.00 64.11 C ATOM 736 NE ARG A 345 7.332 -4.039 -19.750 1.00 73.23 N ATOM 737 CZ ARG A 345 7.870 -4.021 -21.012 1.00 42.14 C ATOM 738 NH1 ARG A 345 7.283 -4.728 -22.035 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.004 -3.296 -21.250 1.00 4.44 N ATOM 0 H ARG A 345 5.279 -2.567 -14.298 1.00 24.51 H new ATOM 0 HA ARG A 345 6.684 -4.763 -15.508 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.610 -3.733 -17.100 1.00 40.52 H new ATOM 0 HB3 ARG A 345 6.056 -2.941 -17.695 1.00 40.52 H new ATOM 0 HG2 ARG A 345 7.040 -5.434 -17.591 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.344 -5.861 -17.705 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.145 -5.803 -19.973 1.00 64.11 H new ATOM 0 HD3 ARG A 345 5.214 -4.331 -19.780 1.00 64.11 H new ATOM 0 HE ARG A 345 7.770 -3.492 -19.009 1.00 73.23 H new ATOM 0 HH11 ARG A 345 6.439 -5.273 -21.859 1.00 41.43 H new ATOM 0 HH12 ARG A 345 7.692 -4.707 -22.969 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.444 -2.774 -20.492 1.00 4.44 H new ATOM 0 HH22 ARG A 345 9.410 -3.277 -22.185 1.00 4.44 H new ATOM 753 N VAL A 346 8.382 -2.873 -16.366 1.00 34.30 N ATOM 754 CA VAL A 346 9.431 -1.906 -16.364 1.00 20.22 C ATOM 755 C VAL A 346 9.860 -1.703 -17.791 1.00 64.23 C ATOM 756 O VAL A 346 10.128 -2.661 -18.529 1.00 41.44 O ATOM 757 CB VAL A 346 10.628 -2.292 -15.477 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.263 -3.622 -15.946 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.638 -1.127 -15.434 1.00 44.52 C ATOM 0 H VAL A 346 8.549 -3.682 -16.965 1.00 34.30 H new ATOM 0 HA VAL A 346 9.050 -0.982 -15.929 1.00 20.22 H new ATOM 0 HB VAL A 346 10.284 -2.467 -14.458 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.106 -3.870 -15.301 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.520 -4.418 -15.894 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.611 -3.517 -16.974 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.485 -1.403 -14.805 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.990 -0.913 -16.443 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.154 -0.241 -15.023 1.00 44.52 H new ATOM 769 N ILE A 347 9.850 -0.439 -18.217 1.00 42.12 N ATOM 770 CA ILE A 347 10.292 -0.058 -19.519 1.00 60.23 C ATOM 771 C ILE A 347 11.563 0.723 -19.280 1.00 63.13 C ATOM 772 O ILE A 347 11.521 1.867 -18.824 1.00 53.02 O ATOM 773 CB ILE A 347 9.303 0.869 -20.232 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.847 0.381 -20.057 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.689 0.970 -21.717 1.00 1.03 C ATOM 776 CD1 ILE A 347 7.034 1.278 -19.145 1.00 60.32 C ATOM 0 H ILE A 347 9.527 0.342 -17.646 1.00 42.12 H new ATOM 0 HA ILE A 347 10.410 -0.942 -20.145 1.00 60.23 H new ATOM 0 HB ILE A 347 9.356 1.861 -19.783 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.365 0.331 -21.034 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.854 -0.631 -19.652 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.989 1.629 -22.231 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.698 1.374 -21.804 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.654 -0.021 -22.170 1.00 1.03 H new ATOM 0 HD11 ILE A 347 6.020 0.887 -19.059 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.496 1.308 -18.158 1.00 60.32 H new ATOM 0 HD13 ILE A 347 7.000 2.285 -19.561 1.00 60.32 H new ATOM 788 N PRO A 348 12.713 0.117 -19.524 1.00 41.14 N ATOM 789 CA PRO A 348 13.963 0.819 -19.355 1.00 43.13 C ATOM 790 C PRO A 348 14.230 1.756 -20.489 1.00 35.30 C ATOM 791 O PRO A 348 13.689 1.599 -21.578 1.00 25.30 O ATOM 792 CB PRO A 348 15.023 -0.284 -19.288 1.00 53.14 C ATOM 793 CG PRO A 348 14.425 -1.434 -20.084 1.00 51.43 C ATOM 794 CD PRO A 348 12.903 -1.282 -19.967 1.00 51.21 C ATOM 0 HA PRO A 348 13.958 1.442 -18.461 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.968 0.047 -19.718 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.226 -0.577 -18.258 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.742 -1.394 -21.126 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.753 -2.395 -19.688 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.409 -1.469 -20.921 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.486 -1.988 -19.249 1.00 51.21 H new ATOM 802 N LEU A 349 15.072 2.747 -20.248 1.00 53.12 N ATOM 803 CA LEU A 349 15.418 3.711 -21.243 1.00 21.10 C ATOM 804 C LEU A 349 16.864 3.472 -21.439 1.00 60.53 C ATOM 805 O LEU A 349 17.673 3.843 -20.590 1.00 41.33 O ATOM 806 CB LEU A 349 15.242 5.193 -20.778 1.00 23.30 C ATOM 807 CG LEU A 349 13.806 5.794 -20.923 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.711 4.780 -21.311 1.00 32.20 C ATOM 809 CD2 LEU A 349 13.401 6.626 -19.696 1.00 2.21 C ATOM 0 H LEU A 349 15.529 2.894 -19.348 1.00 53.12 H new ATOM 0 HA LEU A 349 14.783 3.597 -22.122 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.538 5.262 -19.731 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.933 5.815 -21.346 1.00 23.30 H new ATOM 0 HG LEU A 349 13.880 6.464 -21.779 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.752 5.292 -21.387 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.958 4.327 -22.271 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.648 4.003 -20.549 1.00 32.20 H new ATOM 0 HD21 LEU A 349 12.397 7.023 -19.841 1.00 2.21 H new ATOM 0 HD22 LEU A 349 13.416 5.995 -18.807 1.00 2.21 H new ATOM 0 HD23 LEU A 349 14.102 7.450 -19.568 1.00 2.21 H new ATOM 821 N TYR A 350 17.238 2.833 -22.546 1.00 0.44 N ATOM 822 CA TYR A 350 18.625 2.540 -22.779 1.00 72.32 C ATOM 823 C TYR A 350 19.131 3.690 -23.564 1.00 45.21 C ATOM 824 O TYR A 350 18.939 3.769 -24.767 1.00 60.21 O ATOM 825 CB TYR A 350 18.847 1.223 -23.579 1.00 4.41 C ATOM 826 CG TYR A 350 19.065 0.013 -22.701 1.00 12.51 C ATOM 827 CD1 TYR A 350 18.133 -0.340 -21.746 1.00 71.23 C ATOM 828 CD2 TYR A 350 20.206 -0.761 -22.826 1.00 43.54 C ATOM 829 CE1 TYR A 350 18.335 -1.432 -20.939 1.00 4.31 C ATOM 830 CE2 TYR A 350 20.402 -1.855 -22.021 1.00 43.21 C ATOM 831 CZ TYR A 350 19.468 -2.190 -21.077 1.00 41.13 C ATOM 832 OH TYR A 350 19.676 -3.308 -20.237 1.00 34.11 O ATOM 0 H TYR A 350 16.601 2.518 -23.277 1.00 0.44 H new ATOM 0 HA TYR A 350 19.143 2.396 -21.831 1.00 72.32 H new ATOM 0 HB2 TYR A 350 17.983 1.046 -24.219 1.00 4.41 H new ATOM 0 HB3 TYR A 350 19.709 1.346 -24.234 1.00 4.41 H new ATOM 0 HD1 TYR A 350 17.235 0.249 -21.632 1.00 71.23 H new ATOM 0 HD2 TYR A 350 20.950 -0.501 -23.565 1.00 43.54 H new ATOM 0 HE1 TYR A 350 17.599 -1.694 -20.193 1.00 4.31 H new ATOM 0 HE2 TYR A 350 21.294 -2.453 -22.132 1.00 43.21 H new ATOM 0 HH TYR A 350 20.527 -3.736 -20.467 1.00 34.11 H new ATOM 842 N ASN A 351 19.801 4.611 -22.871 1.00 24.45 N ATOM 843 CA ASN A 351 20.237 5.844 -23.460 1.00 20.31 C ATOM 844 C ASN A 351 21.478 6.179 -22.718 1.00 73.13 C ATOM 845 O ASN A 351 21.811 5.514 -21.732 1.00 32.42 O ATOM 846 CB ASN A 351 19.212 6.993 -23.226 1.00 63.41 C ATOM 847 CG ASN A 351 19.343 8.154 -24.207 1.00 2.31 C ATOM 848 OD1 ASN A 351 20.198 8.143 -25.092 1.00 43.02 O ATOM 849 ND2 ASN A 351 18.479 9.175 -24.057 1.00 13.00 N ATOM 0 H ASN A 351 20.049 4.508 -21.887 1.00 24.45 H new ATOM 0 HA ASN A 351 20.365 5.739 -24.537 1.00 20.31 H new ATOM 0 HB2 ASN A 351 18.203 6.585 -23.295 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.334 7.373 -22.212 1.00 63.41 H new ATOM 0 HD21 ASN A 351 18.520 9.975 -24.689 1.00 13.00 H new ATOM 0 HD22 ASN A 351 17.783 9.149 -23.311 1.00 13.00 H new ATOM 856 N SER A 352 22.187 7.207 -23.142 1.00 51.13 N ATOM 857 CA SER A 352 23.404 7.592 -22.476 1.00 4.42 C ATOM 858 C SER A 352 23.561 9.113 -22.687 1.00 21.35 C ATOM 859 O SER A 352 24.706 9.570 -22.959 1.00 0.00 O ATOM 860 CB SER A 352 24.668 6.875 -23.037 1.00 40.32 C ATOM 861 OG SER A 352 24.426 5.463 -23.211 1.00 71.31 O ATOM 862 OXT SER A 352 22.529 9.845 -22.557 1.00 0.00 O ATOM 0 H SER A 352 21.937 7.786 -23.944 1.00 51.13 H new ATOM 0 HA SER A 352 23.330 7.310 -21.426 1.00 4.42 H new ATOM 0 HB2 SER A 352 24.949 7.320 -23.991 1.00 40.32 H new ATOM 0 HB3 SER A 352 25.507 7.023 -22.357 1.00 40.32 H new ATOM 0 HG SER A 352 25.233 5.034 -23.565 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.442 3.889 -9.179 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.661 5.777 -9.944 1.00 0.00 ZN