USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 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 10 THR OG1 : rot 47:sc= 0.544 USER MOD Set 1.2: B 217 GLN : amide:sc= 0.275 K(o=0.82,f=-3.7!) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.549 K(o=-0.19,f=-5.4!) USER MOD Set 2.2: B 210 THR OG1 : rot 40:sc= 0.363 USER MOD Single : A 13 SER OG : rot 32:sc= 0.0346 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= -2.76! (180deg=-2.96!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.0407 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -50:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 SER OG : rot 133:sc= 1.03 USER MOD Single : B 225 LYS NZ :NH3+ -165:sc= -1.28 (180deg=-2.2!) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 44:sc= 0.0228 USER MOD Single : B 233 SER OG : rot 180:sc= -0.0083 USER MOD Single : B 241 THR OG1 : rot -26:sc= 1.22 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.015 -10.915 -5.191 1.00 14.13 N ATOM 138 CA THR A 10 -7.701 -11.367 -5.482 1.00 1.21 C ATOM 139 C THR A 10 -6.873 -10.202 -5.992 1.00 63.54 C ATOM 140 O THR A 10 -6.804 -9.940 -7.197 1.00 34.43 O ATOM 141 CB THR A 10 -7.706 -12.517 -6.505 1.00 15.53 C ATOM 142 OG1 THR A 10 -8.451 -12.108 -7.659 1.00 22.02 O ATOM 143 CG2 THR A 10 -8.332 -13.773 -5.910 1.00 24.04 C ATOM 0 HA THR A 10 -7.260 -11.758 -4.565 1.00 1.21 H new ATOM 0 HB THR A 10 -6.677 -12.748 -6.782 1.00 15.53 H new ATOM 0 HG1 THR A 10 -8.166 -11.211 -7.931 1.00 22.02 H new ATOM 0 HG21 THR A 10 -8.323 -14.571 -6.653 1.00 24.04 H new ATOM 0 HG22 THR A 10 -7.761 -14.085 -5.036 1.00 24.04 H new ATOM 0 HG23 THR A 10 -9.360 -13.563 -5.615 1.00 24.04 H new ATOM 151 N CYS A 11 -6.311 -9.472 -5.077 1.00 42.31 N ATOM 152 CA CYS A 11 -5.499 -8.343 -5.411 1.00 22.33 C ATOM 153 C CYS A 11 -4.184 -8.560 -4.732 1.00 4.03 C ATOM 154 O CYS A 11 -4.155 -9.101 -3.623 1.00 5.34 O ATOM 155 CB CYS A 11 -6.137 -7.046 -4.851 1.00 31.20 C ATOM 156 SG CYS A 11 -7.915 -6.772 -5.264 1.00 41.04 S ATOM 0 H CYS A 11 -6.403 -9.643 -4.076 1.00 42.31 H new ATOM 0 HA CYS A 11 -5.396 -8.242 -6.491 1.00 22.33 H new ATOM 0 HB2 CYS A 11 -6.034 -7.054 -3.766 1.00 31.20 H new ATOM 0 HB3 CYS A 11 -5.564 -6.195 -5.219 1.00 31.20 H new ATOM 161 N VAL A 12 -3.108 -8.168 -5.344 1.00 42.01 N ATOM 162 CA VAL A 12 -1.825 -8.313 -4.717 1.00 45.32 C ATOM 163 C VAL A 12 -1.127 -6.970 -4.626 1.00 52.50 C ATOM 164 O VAL A 12 -1.248 -6.130 -5.524 1.00 65.33 O ATOM 165 CB VAL A 12 -0.911 -9.422 -5.368 1.00 65.35 C ATOM 166 CG1 VAL A 12 -1.556 -10.799 -5.257 1.00 32.14 C ATOM 167 CG2 VAL A 12 -0.557 -9.127 -6.823 1.00 33.53 C ATOM 0 H VAL A 12 -3.090 -7.747 -6.273 1.00 42.01 H new ATOM 0 HA VAL A 12 -2.012 -8.676 -3.706 1.00 45.32 H new ATOM 0 HB VAL A 12 0.021 -9.414 -4.802 1.00 65.35 H new ATOM 0 HG11 VAL A 12 -0.904 -11.544 -5.714 1.00 32.14 H new ATOM 0 HG12 VAL A 12 -1.709 -11.046 -4.206 1.00 32.14 H new ATOM 0 HG13 VAL A 12 -2.517 -10.793 -5.771 1.00 32.14 H new ATOM 0 HG21 VAL A 12 0.073 -9.926 -7.213 1.00 33.53 H new ATOM 0 HG22 VAL A 12 -1.471 -9.063 -7.414 1.00 33.53 H new ATOM 0 HG23 VAL A 12 -0.020 -8.180 -6.882 1.00 33.53 H new ATOM 177 N SER A 13 -0.450 -6.749 -3.542 1.00 44.24 N ATOM 178 CA SER A 13 0.219 -5.503 -3.319 1.00 33.55 C ATOM 179 C SER A 13 1.690 -5.729 -3.060 1.00 43.20 C ATOM 180 O SER A 13 2.072 -6.493 -2.171 1.00 62.23 O ATOM 181 CB SER A 13 -0.466 -4.713 -2.184 1.00 10.13 C ATOM 182 OG SER A 13 -0.566 -5.482 -0.985 1.00 31.30 O ATOM 0 H SER A 13 -0.345 -7.426 -2.787 1.00 44.24 H new ATOM 0 HA SER A 13 0.144 -4.894 -4.220 1.00 33.55 H new ATOM 0 HB2 SER A 13 0.098 -3.802 -1.985 1.00 10.13 H new ATOM 0 HB3 SER A 13 -1.462 -4.408 -2.504 1.00 10.13 H new ATOM 0 HG SER A 13 0.201 -6.088 -0.920 1.00 31.30 H new ATOM 188 N LEU A 14 2.498 -5.085 -3.844 1.00 42.53 N ATOM 189 CA LEU A 14 3.928 -5.226 -3.769 1.00 50.42 C ATOM 190 C LEU A 14 4.587 -3.893 -3.532 1.00 4.22 C ATOM 191 O LEU A 14 4.397 -2.954 -4.300 1.00 1.24 O ATOM 192 CB LEU A 14 4.434 -5.867 -5.050 1.00 13.32 C ATOM 193 CG LEU A 14 4.029 -7.323 -5.251 1.00 45.40 C ATOM 194 CD1 LEU A 14 4.327 -7.776 -6.671 1.00 33.32 C ATOM 195 CD2 LEU A 14 4.786 -8.192 -4.251 1.00 61.35 C ATOM 0 H LEU A 14 2.183 -4.436 -4.566 1.00 42.53 H new ATOM 0 HA LEU A 14 4.183 -5.868 -2.926 1.00 50.42 H new ATOM 0 HB2 LEU A 14 4.070 -5.285 -5.897 1.00 13.32 H new ATOM 0 HB3 LEU A 14 5.522 -5.804 -5.064 1.00 13.32 H new ATOM 0 HG LEU A 14 2.956 -7.421 -5.086 1.00 45.40 H new ATOM 0 HD11 LEU A 14 4.030 -8.818 -6.791 1.00 33.32 H new ATOM 0 HD12 LEU A 14 3.771 -7.157 -7.375 1.00 33.32 H new ATOM 0 HD13 LEU A 14 5.395 -7.679 -6.867 1.00 33.32 H new ATOM 0 HD21 LEU A 14 4.502 -9.235 -4.388 1.00 61.35 H new ATOM 0 HD22 LEU A 14 5.858 -8.083 -4.413 1.00 61.35 H new ATOM 0 HD23 LEU A 14 4.539 -7.879 -3.237 1.00 61.35 H new ATOM 207 N THR A 15 5.348 -3.809 -2.473 1.00 54.55 N ATOM 208 CA THR A 15 6.039 -2.601 -2.130 1.00 5.30 C ATOM 209 C THR A 15 7.449 -2.616 -2.686 1.00 1.44 C ATOM 210 O THR A 15 8.142 -3.634 -2.619 1.00 33.32 O ATOM 211 CB THR A 15 6.052 -2.390 -0.607 1.00 44.50 C ATOM 212 OG1 THR A 15 6.464 -3.607 0.049 1.00 70.11 O ATOM 213 CG2 THR A 15 4.677 -1.980 -0.107 1.00 43.32 C ATOM 0 H THR A 15 5.505 -4.580 -1.824 1.00 54.55 H new ATOM 0 HA THR A 15 5.505 -1.764 -2.580 1.00 5.30 H new ATOM 0 HB THR A 15 6.757 -1.592 -0.375 1.00 44.50 H new ATOM 0 HG1 THR A 15 6.473 -3.469 1.019 1.00 70.11 H new ATOM 0 HG21 THR A 15 4.710 -1.836 0.973 1.00 43.32 H new ATOM 0 HG22 THR A 15 4.378 -1.049 -0.588 1.00 43.32 H new ATOM 0 HG23 THR A 15 3.955 -2.760 -0.347 1.00 43.32 H new ATOM 221 N THR A 16 7.852 -1.520 -3.255 1.00 43.54 N ATOM 222 CA THR A 16 9.134 -1.423 -3.844 1.00 24.14 C ATOM 223 C THR A 16 9.656 0.012 -3.716 1.00 52.24 C ATOM 224 O THR A 16 8.901 0.972 -3.912 1.00 21.10 O ATOM 225 CB THR A 16 9.076 -1.876 -5.352 1.00 32.14 C ATOM 226 OG1 THR A 16 10.379 -1.863 -5.958 1.00 30.41 O ATOM 227 CG2 THR A 16 8.126 -0.997 -6.172 1.00 72.31 C ATOM 0 H THR A 16 7.292 -0.670 -3.319 1.00 43.54 H new ATOM 0 HA THR A 16 9.823 -2.087 -3.321 1.00 24.14 H new ATOM 0 HB THR A 16 8.696 -2.898 -5.352 1.00 32.14 H new ATOM 0 HG1 THR A 16 10.308 -2.151 -6.892 1.00 30.41 H new ATOM 0 HG21 THR A 16 8.114 -1.341 -7.206 1.00 72.31 H new ATOM 0 HG22 THR A 16 7.121 -1.061 -5.756 1.00 72.31 H new ATOM 0 HG23 THR A 16 8.467 0.038 -6.138 1.00 72.31 H new ATOM 235 N GLN A 17 10.933 0.134 -3.348 1.00 42.30 N ATOM 236 CA GLN A 17 11.657 1.416 -3.290 1.00 33.03 C ATOM 237 C GLN A 17 10.998 2.443 -2.334 1.00 42.24 C ATOM 238 O GLN A 17 10.093 2.112 -1.538 1.00 23.04 O ATOM 239 CB GLN A 17 11.747 1.994 -4.707 1.00 1.12 C ATOM 240 CG GLN A 17 12.404 1.050 -5.707 1.00 33.12 C ATOM 241 CD GLN A 17 12.388 1.595 -7.109 1.00 32.23 C ATOM 242 OE1 GLN A 17 12.434 2.799 -7.318 1.00 63.10 O ATOM 243 NE2 GLN A 17 12.300 0.713 -8.079 1.00 72.51 N ATOM 0 H GLN A 17 11.507 -0.665 -3.077 1.00 42.30 H new ATOM 0 HA GLN A 17 12.651 1.220 -2.888 1.00 33.03 H new ATOM 0 HB2 GLN A 17 10.744 2.239 -5.055 1.00 1.12 H new ATOM 0 HB3 GLN A 17 12.310 2.927 -4.676 1.00 1.12 H new ATOM 0 HG2 GLN A 17 13.435 0.865 -5.404 1.00 33.12 H new ATOM 0 HG3 GLN A 17 11.889 0.090 -5.688 1.00 33.12 H new ATOM 0 HE21 GLN A 17 12.264 -0.283 -7.861 1.00 72.51 H new ATOM 0 HE22 GLN A 17 12.268 1.024 -9.050 1.00 72.51 H new ATOM 252 N ARG A 18 11.501 3.662 -2.372 1.00 24.51 N ATOM 253 CA ARG A 18 10.915 4.763 -1.647 1.00 61.55 C ATOM 254 C ARG A 18 11.261 6.074 -2.311 1.00 23.34 C ATOM 255 O ARG A 18 12.188 6.782 -1.900 1.00 71.30 O ATOM 256 CB ARG A 18 11.294 4.792 -0.154 1.00 52.14 C ATOM 257 CG ARG A 18 10.622 5.922 0.631 1.00 50.32 C ATOM 258 CD ARG A 18 11.008 5.902 2.096 1.00 63.35 C ATOM 259 NE ARG A 18 12.451 6.068 2.299 1.00 3.21 N ATOM 260 CZ ARG A 18 13.061 6.092 3.492 1.00 32.11 C ATOM 261 NH1 ARG A 18 12.343 6.039 4.619 1.00 51.04 N ATOM 262 NH2 ARG A 18 14.383 6.203 3.556 1.00 33.04 N ATOM 0 H ARG A 18 12.331 3.913 -2.910 1.00 24.51 H new ATOM 0 HA ARG A 18 9.836 4.611 -1.680 1.00 61.55 H new ATOM 0 HB2 ARG A 18 11.025 3.838 0.298 1.00 52.14 H new ATOM 0 HB3 ARG A 18 12.376 4.893 -0.065 1.00 52.14 H new ATOM 0 HG2 ARG A 18 10.901 6.882 0.196 1.00 50.32 H new ATOM 0 HG3 ARG A 18 9.539 5.833 0.540 1.00 50.32 H new ATOM 0 HD2 ARG A 18 10.477 6.697 2.619 1.00 63.35 H new ATOM 0 HD3 ARG A 18 10.688 4.959 2.540 1.00 63.35 H new ATOM 0 HE ARG A 18 13.035 6.173 1.469 1.00 3.21 H new ATOM 0 HH11 ARG A 18 11.326 5.980 4.573 1.00 51.04 H new ATOM 0 HH12 ARG A 18 12.813 6.058 5.524 1.00 51.04 H new ATOM 0 HH21 ARG A 18 14.931 6.270 2.698 1.00 33.04 H new ATOM 0 HH22 ARG A 18 14.850 6.222 4.463 1.00 33.04 H new ATOM 276 N LEU A 19 10.619 6.326 -3.401 1.00 50.05 N ATOM 277 CA LEU A 19 10.714 7.587 -4.057 1.00 24.20 C ATOM 278 C LEU A 19 9.294 8.052 -4.262 1.00 63.50 C ATOM 279 O LEU A 19 8.505 7.321 -4.857 1.00 74.50 O ATOM 280 CB LEU A 19 11.449 7.480 -5.403 1.00 41.24 C ATOM 281 CG LEU A 19 11.775 8.818 -6.089 1.00 33.41 C ATOM 282 CD1 LEU A 19 12.779 9.621 -5.271 1.00 13.52 C ATOM 283 CD2 LEU A 19 12.301 8.596 -7.485 1.00 60.25 C ATOM 0 H LEU A 19 10.007 5.656 -3.867 1.00 50.05 H new ATOM 0 HA LEU A 19 11.291 8.291 -3.457 1.00 24.20 H new ATOM 0 HB2 LEU A 19 12.380 6.936 -5.246 1.00 41.24 H new ATOM 0 HB3 LEU A 19 10.841 6.882 -6.082 1.00 41.24 H new ATOM 0 HG LEU A 19 10.849 9.388 -6.155 1.00 33.41 H new ATOM 0 HD11 LEU A 19 12.992 10.562 -5.778 1.00 13.52 H new ATOM 0 HD12 LEU A 19 12.363 9.827 -4.285 1.00 13.52 H new ATOM 0 HD13 LEU A 19 13.701 9.050 -5.164 1.00 13.52 H new ATOM 0 HD21 LEU A 19 12.523 9.558 -7.947 1.00 60.25 H new ATOM 0 HD22 LEU A 19 13.210 7.996 -7.440 1.00 60.25 H new ATOM 0 HD23 LEU A 19 11.550 8.074 -8.078 1.00 60.25 H new ATOM 295 N PRO A 20 8.914 9.223 -3.751 1.00 22.15 N ATOM 296 CA PRO A 20 7.549 9.695 -3.882 1.00 62.41 C ATOM 297 C PRO A 20 7.122 9.859 -5.341 1.00 20.30 C ATOM 298 O PRO A 20 7.892 10.329 -6.190 1.00 33.23 O ATOM 299 CB PRO A 20 7.551 11.040 -3.158 1.00 11.25 C ATOM 300 CG PRO A 20 8.985 11.434 -3.073 1.00 33.42 C ATOM 301 CD PRO A 20 9.761 10.162 -3.006 1.00 52.44 C ATOM 0 HA PRO A 20 6.837 8.984 -3.463 1.00 62.41 H new ATOM 0 HB2 PRO A 20 6.970 11.783 -3.705 1.00 11.25 H new ATOM 0 HB3 PRO A 20 7.106 10.954 -2.166 1.00 11.25 H new ATOM 0 HG2 PRO A 20 9.279 12.024 -3.941 1.00 33.42 H new ATOM 0 HG3 PRO A 20 9.168 12.049 -2.192 1.00 33.42 H new ATOM 0 HD2 PRO A 20 10.746 10.265 -3.460 1.00 52.44 H new ATOM 0 HD3 PRO A 20 9.917 9.837 -1.977 1.00 52.44 H new ATOM 309 N VAL A 21 5.897 9.489 -5.608 1.00 73.45 N ATOM 310 CA VAL A 21 5.333 9.560 -6.932 1.00 1.24 C ATOM 311 C VAL A 21 4.604 10.871 -7.120 1.00 45.11 C ATOM 312 O VAL A 21 4.294 11.574 -6.132 1.00 22.01 O ATOM 313 CB VAL A 21 4.388 8.364 -7.238 1.00 5.11 C ATOM 314 CG1 VAL A 21 5.177 7.061 -7.287 1.00 71.34 C ATOM 315 CG2 VAL A 21 3.284 8.265 -6.194 1.00 54.34 C ATOM 0 H VAL A 21 5.254 9.125 -4.904 1.00 73.45 H new ATOM 0 HA VAL A 21 6.160 9.502 -7.640 1.00 1.24 H new ATOM 0 HB VAL A 21 3.929 8.537 -8.212 1.00 5.11 H new ATOM 0 HG11 VAL A 21 4.500 6.234 -7.502 1.00 71.34 H new ATOM 0 HG12 VAL A 21 5.934 7.123 -8.069 1.00 71.34 H new ATOM 0 HG13 VAL A 21 5.661 6.893 -6.325 1.00 71.34 H new ATOM 0 HG21 VAL A 21 2.636 7.421 -6.429 1.00 54.34 H new ATOM 0 HG22 VAL A 21 3.727 8.119 -5.209 1.00 54.34 H new ATOM 0 HG23 VAL A 21 2.698 9.184 -6.196 1.00 54.34 H new ATOM 325 N SER A 22 4.335 11.219 -8.352 1.00 11.53 N ATOM 326 CA SER A 22 3.709 12.476 -8.647 1.00 50.45 C ATOM 327 C SER A 22 2.222 12.460 -8.234 1.00 31.32 C ATOM 328 O SER A 22 1.658 13.509 -7.898 1.00 51.11 O ATOM 329 CB SER A 22 3.884 12.830 -10.138 1.00 4.21 C ATOM 330 OG SER A 22 3.374 14.136 -10.437 1.00 5.05 O ATOM 0 H SER A 22 4.542 10.644 -9.169 1.00 11.53 H new ATOM 0 HA SER A 22 4.199 13.254 -8.062 1.00 50.45 H new ATOM 0 HB2 SER A 22 4.941 12.783 -10.401 1.00 4.21 H new ATOM 0 HB3 SER A 22 3.370 12.090 -10.751 1.00 4.21 H new ATOM 0 HG SER A 22 3.503 14.327 -11.389 1.00 5.05 H new ATOM 336 N ARG A 23 1.612 11.281 -8.233 1.00 24.22 N ATOM 337 CA ARG A 23 0.207 11.125 -7.864 1.00 44.34 C ATOM 338 C ARG A 23 -0.065 9.655 -7.533 1.00 21.52 C ATOM 339 O ARG A 23 0.700 8.793 -7.925 1.00 12.41 O ATOM 340 CB ARG A 23 -0.656 11.540 -9.072 1.00 30.34 C ATOM 341 CG ARG A 23 -2.162 11.449 -8.885 1.00 34.23 C ATOM 342 CD ARG A 23 -2.867 11.787 -10.178 1.00 21.12 C ATOM 343 NE ARG A 23 -4.320 11.658 -10.082 1.00 4.14 N ATOM 344 CZ ARG A 23 -5.150 11.656 -11.131 1.00 62.32 C ATOM 345 NH1 ARG A 23 -4.671 11.778 -12.364 1.00 52.11 N ATOM 346 NH2 ARG A 23 -6.455 11.528 -10.942 1.00 54.14 N ATOM 0 H ARG A 23 2.074 10.408 -8.487 1.00 24.22 H new ATOM 0 HA ARG A 23 -0.030 11.742 -6.997 1.00 44.34 H new ATOM 0 HB2 ARG A 23 -0.405 12.568 -9.335 1.00 30.34 H new ATOM 0 HB3 ARG A 23 -0.378 10.916 -9.922 1.00 30.34 H new ATOM 0 HG2 ARG A 23 -2.436 10.444 -8.564 1.00 34.23 H new ATOM 0 HG3 ARG A 23 -2.481 12.133 -8.098 1.00 34.23 H new ATOM 0 HD2 ARG A 23 -2.616 12.807 -10.467 1.00 21.12 H new ATOM 0 HD3 ARG A 23 -2.500 11.132 -10.968 1.00 21.12 H new ATOM 0 HE ARG A 23 -4.729 11.563 -9.152 1.00 4.14 H new ATOM 0 HH11 ARG A 23 -3.667 11.874 -12.514 1.00 52.11 H new ATOM 0 HH12 ARG A 23 -5.308 11.776 -13.161 1.00 52.11 H new ATOM 0 HH21 ARG A 23 -6.826 11.431 -9.997 1.00 54.14 H new ATOM 0 HH22 ARG A 23 -7.088 11.526 -11.742 1.00 54.14 H new ATOM 360 N ILE A 24 -1.111 9.382 -6.786 1.00 61.42 N ATOM 361 CA ILE A 24 -1.570 8.020 -6.575 1.00 60.34 C ATOM 362 C ILE A 24 -2.679 7.822 -7.585 1.00 23.21 C ATOM 363 O ILE A 24 -3.747 8.414 -7.468 1.00 13.44 O ATOM 364 CB ILE A 24 -2.151 7.805 -5.135 1.00 43.54 C ATOM 365 CG1 ILE A 24 -1.137 8.225 -4.043 1.00 23.42 C ATOM 366 CG2 ILE A 24 -2.572 6.346 -4.929 1.00 33.32 C ATOM 367 CD1 ILE A 24 0.141 7.458 -4.030 1.00 64.22 C ATOM 0 H ILE A 24 -1.668 10.091 -6.308 1.00 61.42 H new ATOM 0 HA ILE A 24 -0.744 7.318 -6.686 1.00 60.34 H new ATOM 0 HB ILE A 24 -3.031 8.442 -5.043 1.00 43.54 H new ATOM 0 HG12 ILE A 24 -0.906 9.282 -4.173 1.00 23.42 H new ATOM 0 HG13 ILE A 24 -1.614 8.121 -3.068 1.00 23.42 H new ATOM 0 HG21 ILE A 24 -2.972 6.221 -3.923 1.00 33.32 H new ATOM 0 HG22 ILE A 24 -3.337 6.082 -5.659 1.00 33.32 H new ATOM 0 HG23 ILE A 24 -1.707 5.696 -5.059 1.00 33.32 H new ATOM 0 HD11 ILE A 24 0.780 7.830 -3.229 1.00 64.22 H new ATOM 0 HD12 ILE A 24 -0.070 6.402 -3.865 1.00 64.22 H new ATOM 0 HD13 ILE A 24 0.649 7.581 -4.986 1.00 64.22 H new ATOM 379 N LYS A 25 -2.430 7.035 -8.579 1.00 3.25 N ATOM 380 CA LYS A 25 -3.364 6.908 -9.653 1.00 73.31 C ATOM 381 C LYS A 25 -3.658 5.463 -9.885 1.00 75.51 C ATOM 382 O LYS A 25 -2.847 4.591 -9.512 1.00 32.21 O ATOM 383 CB LYS A 25 -2.864 7.575 -10.998 1.00 52.52 C ATOM 384 CG LYS A 25 -1.789 6.826 -11.835 1.00 51.21 C ATOM 385 CD LYS A 25 -0.330 7.159 -11.496 1.00 73.11 C ATOM 386 CE LYS A 25 0.028 6.818 -10.098 1.00 75.04 C ATOM 387 NZ LYS A 25 1.448 7.011 -9.794 1.00 53.31 N ATOM 0 H LYS A 25 -1.587 6.469 -8.672 1.00 3.25 H new ATOM 0 HA LYS A 25 -4.266 7.443 -9.357 1.00 73.31 H new ATOM 0 HB2 LYS A 25 -3.734 7.730 -11.636 1.00 52.52 H new ATOM 0 HB3 LYS A 25 -2.468 8.561 -10.754 1.00 52.52 H new ATOM 0 HG2 LYS A 25 -1.937 5.754 -11.706 1.00 51.21 H new ATOM 0 HG3 LYS A 25 -1.957 7.047 -12.889 1.00 51.21 H new ATOM 0 HD2 LYS A 25 0.328 6.619 -12.177 1.00 73.11 H new ATOM 0 HD3 LYS A 25 -0.157 8.222 -11.661 1.00 73.11 H new ATOM 0 HE2 LYS A 25 -0.567 7.430 -9.420 1.00 75.04 H new ATOM 0 HE3 LYS A 25 -0.238 5.779 -9.906 1.00 75.04 H new ATOM 0 HZ1 LYS A 25 1.635 6.722 -8.813 1.00 53.31 H new ATOM 0 HZ2 LYS A 25 2.023 6.434 -10.440 1.00 53.31 H new ATOM 0 HZ3 LYS A 25 1.695 8.014 -9.913 1.00 53.31 H new ATOM 401 N THR A 26 -4.785 5.205 -10.478 1.00 53.32 N ATOM 402 CA THR A 26 -5.176 3.886 -10.810 1.00 13.34 C ATOM 403 C THR A 26 -5.312 3.709 -12.294 1.00 22.43 C ATOM 404 O THR A 26 -5.885 4.552 -12.995 1.00 14.00 O ATOM 405 CB THR A 26 -6.480 3.436 -10.107 1.00 63.00 C ATOM 406 OG1 THR A 26 -7.489 4.459 -10.174 1.00 61.51 O ATOM 407 CG2 THR A 26 -6.242 3.011 -8.674 1.00 34.51 C ATOM 0 H THR A 26 -5.461 5.921 -10.744 1.00 53.32 H new ATOM 0 HA THR A 26 -4.373 3.246 -10.443 1.00 13.34 H new ATOM 0 HB THR A 26 -6.841 2.562 -10.648 1.00 63.00 H new ATOM 0 HG1 THR A 26 -8.302 4.147 -9.724 1.00 61.51 H new ATOM 0 HG21 THR A 26 -7.186 2.704 -8.224 1.00 34.51 H new ATOM 0 HG22 THR A 26 -5.542 2.176 -8.654 1.00 34.51 H new ATOM 0 HG23 THR A 26 -5.826 3.847 -8.111 1.00 34.51 H new ATOM 415 N TYR A 27 -4.760 2.647 -12.771 1.00 14.41 N ATOM 416 CA TYR A 27 -4.915 2.266 -14.134 1.00 63.31 C ATOM 417 C TYR A 27 -5.786 1.075 -14.174 1.00 52.02 C ATOM 418 O TYR A 27 -5.578 0.128 -13.414 1.00 14.42 O ATOM 419 CB TYR A 27 -3.577 1.950 -14.804 1.00 42.11 C ATOM 420 CG TYR A 27 -2.717 3.153 -15.045 1.00 63.41 C ATOM 421 CD1 TYR A 27 -2.862 3.887 -16.211 1.00 10.23 C ATOM 422 CD2 TYR A 27 -1.770 3.561 -14.125 1.00 71.23 C ATOM 423 CE1 TYR A 27 -2.093 4.994 -16.455 1.00 32.23 C ATOM 424 CE2 TYR A 27 -0.992 4.673 -14.359 1.00 24.13 C ATOM 425 CZ TYR A 27 -1.158 5.387 -15.532 1.00 32.40 C ATOM 426 OH TYR A 27 -0.392 6.508 -15.781 1.00 44.24 O ATOM 0 H TYR A 27 -4.182 2.012 -12.221 1.00 14.41 H new ATOM 0 HA TYR A 27 -5.354 3.099 -14.683 1.00 63.31 H new ATOM 0 HB2 TYR A 27 -3.029 1.243 -14.181 1.00 42.11 H new ATOM 0 HB3 TYR A 27 -3.767 1.455 -15.756 1.00 42.11 H new ATOM 0 HD1 TYR A 27 -3.596 3.580 -16.942 1.00 10.23 H new ATOM 0 HD2 TYR A 27 -1.638 3.001 -13.211 1.00 71.23 H new ATOM 0 HE1 TYR A 27 -2.222 5.554 -17.369 1.00 32.23 H new ATOM 0 HE2 TYR A 27 -0.257 4.985 -13.632 1.00 24.13 H new ATOM 0 HH TYR A 27 0.223 6.657 -15.033 1.00 44.24 H new ATOM 436 N THR A 28 -6.762 1.113 -15.003 1.00 41.52 N ATOM 437 CA THR A 28 -7.634 0.020 -15.129 1.00 61.24 C ATOM 438 C THR A 28 -7.356 -0.637 -16.454 1.00 24.42 C ATOM 439 O THR A 28 -7.391 0.011 -17.504 1.00 63.43 O ATOM 440 CB THR A 28 -9.104 0.466 -15.049 1.00 41.52 C ATOM 441 OG1 THR A 28 -9.253 1.327 -13.910 1.00 2.14 O ATOM 442 CG2 THR A 28 -10.019 -0.740 -14.864 1.00 33.12 C ATOM 0 H THR A 28 -6.974 1.905 -15.610 1.00 41.52 H new ATOM 0 HA THR A 28 -7.468 -0.680 -14.310 1.00 61.24 H new ATOM 0 HB THR A 28 -9.373 0.980 -15.972 1.00 41.52 H new ATOM 0 HG1 THR A 28 -10.185 1.623 -13.844 1.00 2.14 H new ATOM 0 HG21 THR A 28 -11.055 -0.406 -14.809 1.00 33.12 H new ATOM 0 HG22 THR A 28 -9.901 -1.419 -15.708 1.00 33.12 H new ATOM 0 HG23 THR A 28 -9.756 -1.258 -13.942 1.00 33.12 H new ATOM 450 N ILE A 29 -7.022 -1.882 -16.409 1.00 51.41 N ATOM 451 CA ILE A 29 -6.723 -2.604 -17.596 1.00 50.50 C ATOM 452 C ILE A 29 -7.903 -3.460 -17.932 1.00 22.14 C ATOM 453 O ILE A 29 -8.373 -4.218 -17.111 1.00 34.42 O ATOM 454 CB ILE A 29 -5.490 -3.515 -17.383 1.00 53.21 C ATOM 455 CG1 ILE A 29 -4.290 -2.666 -16.934 1.00 70.44 C ATOM 456 CG2 ILE A 29 -5.171 -4.276 -18.668 1.00 1.55 C ATOM 457 CD1 ILE A 29 -3.048 -3.420 -16.566 1.00 2.44 C ATOM 0 H ILE A 29 -6.949 -2.426 -15.549 1.00 51.41 H new ATOM 0 HA ILE A 29 -6.505 -1.902 -18.401 1.00 50.50 H new ATOM 0 HB ILE A 29 -5.709 -4.244 -16.603 1.00 53.21 H new ATOM 0 HG12 ILE A 29 -4.044 -1.970 -17.736 1.00 70.44 H new ATOM 0 HG13 ILE A 29 -4.595 -2.068 -16.075 1.00 70.44 H new ATOM 0 HG21 ILE A 29 -4.302 -4.914 -18.507 1.00 1.55 H new ATOM 0 HG22 ILE A 29 -6.026 -4.891 -18.948 1.00 1.55 H new ATOM 0 HG23 ILE A 29 -4.957 -3.567 -19.467 1.00 1.55 H new ATOM 0 HD11 ILE A 29 -2.271 -2.717 -16.266 1.00 2.44 H new ATOM 0 HD12 ILE A 29 -3.264 -4.096 -15.739 1.00 2.44 H new ATOM 0 HD13 ILE A 29 -2.704 -3.996 -17.425 1.00 2.44 H new ATOM 469 N THR A 30 -8.358 -3.327 -19.108 1.00 62.12 N ATOM 470 CA THR A 30 -9.458 -4.090 -19.611 1.00 51.50 C ATOM 471 C THR A 30 -9.161 -4.579 -21.006 1.00 15.53 C ATOM 472 O THR A 30 -9.311 -3.841 -21.985 1.00 64.14 O ATOM 473 CB THR A 30 -10.837 -3.353 -19.507 1.00 54.10 C ATOM 474 OG1 THR A 30 -10.769 -2.026 -20.075 1.00 44.14 O ATOM 475 CG2 THR A 30 -11.304 -3.261 -18.056 1.00 32.12 C ATOM 0 H THR A 30 -7.974 -2.666 -19.784 1.00 62.12 H new ATOM 0 HA THR A 30 -9.568 -4.959 -18.962 1.00 51.50 H new ATOM 0 HB THR A 30 -11.557 -3.942 -20.076 1.00 54.10 H new ATOM 0 HG1 THR A 30 -10.287 -2.059 -20.928 1.00 44.14 H new ATOM 0 HG21 THR A 30 -12.263 -2.745 -18.015 1.00 32.12 H new ATOM 0 HG22 THR A 30 -11.414 -4.264 -17.645 1.00 32.12 H new ATOM 0 HG23 THR A 30 -10.569 -2.708 -17.472 1.00 32.12 H new ATOM 483 N GLU A 31 -8.682 -5.788 -21.103 1.00 72.31 N ATOM 484 CA GLU A 31 -8.321 -6.328 -22.381 1.00 12.44 C ATOM 485 C GLU A 31 -9.102 -7.586 -22.707 1.00 35.41 C ATOM 486 O GLU A 31 -8.948 -8.623 -22.072 1.00 11.24 O ATOM 487 CB GLU A 31 -6.774 -6.433 -22.536 1.00 13.02 C ATOM 488 CG GLU A 31 -6.008 -7.273 -21.503 1.00 62.01 C ATOM 489 CD GLU A 31 -5.863 -8.744 -21.858 1.00 22.01 C ATOM 490 OE1 GLU A 31 -4.998 -9.052 -22.710 1.00 22.31 O ATOM 491 OE2 GLU A 31 -6.485 -9.590 -21.240 1.00 71.41 O ATOM 0 H GLU A 31 -8.533 -6.416 -20.313 1.00 72.31 H new ATOM 0 HA GLU A 31 -8.625 -5.627 -23.158 1.00 12.44 H new ATOM 0 HB2 GLU A 31 -6.563 -6.842 -23.524 1.00 13.02 H new ATOM 0 HB3 GLU A 31 -6.366 -5.423 -22.516 1.00 13.02 H new ATOM 0 HG2 GLU A 31 -5.014 -6.845 -21.373 1.00 62.01 H new ATOM 0 HG3 GLU A 31 -6.517 -7.194 -20.542 1.00 62.01 H new ATOM 498 N GLY A 32 -9.991 -7.461 -23.675 1.00 34.43 N ATOM 499 CA GLY A 32 -10.847 -8.556 -24.057 1.00 64.15 C ATOM 500 C GLY A 32 -11.944 -8.743 -23.039 1.00 32.24 C ATOM 501 O GLY A 32 -13.063 -8.250 -23.209 1.00 55.32 O ATOM 0 H GLY A 32 -10.135 -6.605 -24.210 1.00 34.43 H new ATOM 0 HA2 GLY A 32 -11.281 -8.362 -25.038 1.00 64.15 H new ATOM 0 HA3 GLY A 32 -10.261 -9.471 -24.143 1.00 64.15 H new ATOM 505 N SER A 33 -11.622 -9.440 -21.985 1.00 5.12 N ATOM 506 CA SER A 33 -12.496 -9.646 -20.862 1.00 21.04 C ATOM 507 C SER A 33 -11.631 -9.792 -19.614 1.00 52.31 C ATOM 508 O SER A 33 -11.285 -10.906 -19.205 1.00 21.44 O ATOM 509 CB SER A 33 -13.387 -10.885 -21.058 1.00 65.13 C ATOM 510 OG SER A 33 -14.170 -10.779 -22.249 1.00 64.53 O ATOM 0 H SER A 33 -10.715 -9.895 -21.880 1.00 5.12 H new ATOM 0 HA SER A 33 -13.167 -8.793 -20.760 1.00 21.04 H new ATOM 0 HB2 SER A 33 -12.765 -11.779 -21.108 1.00 65.13 H new ATOM 0 HB3 SER A 33 -14.045 -11.002 -20.197 1.00 65.13 H new ATOM 0 HG SER A 33 -14.725 -11.581 -22.348 1.00 64.53 H new ATOM 516 N LEU A 34 -11.209 -8.667 -19.086 1.00 31.12 N ATOM 517 CA LEU A 34 -10.330 -8.621 -17.942 1.00 24.44 C ATOM 518 C LEU A 34 -10.443 -7.261 -17.308 1.00 2.25 C ATOM 519 O LEU A 34 -10.479 -6.280 -18.013 1.00 21.03 O ATOM 520 CB LEU A 34 -8.877 -8.830 -18.409 1.00 71.04 C ATOM 521 CG LEU A 34 -7.789 -8.803 -17.330 1.00 33.24 C ATOM 522 CD1 LEU A 34 -7.937 -9.972 -16.371 1.00 13.22 C ATOM 523 CD2 LEU A 34 -6.408 -8.779 -17.965 1.00 23.42 C ATOM 0 H LEU A 34 -11.470 -7.748 -19.443 1.00 31.12 H new ATOM 0 HA LEU A 34 -10.604 -9.399 -17.229 1.00 24.44 H new ATOM 0 HB2 LEU A 34 -8.821 -9.790 -18.923 1.00 71.04 H new ATOM 0 HB3 LEU A 34 -8.644 -8.060 -19.145 1.00 71.04 H new ATOM 0 HG LEU A 34 -7.909 -7.889 -16.749 1.00 33.24 H new ATOM 0 HD11 LEU A 34 -7.151 -9.926 -15.617 1.00 13.22 H new ATOM 0 HD12 LEU A 34 -8.911 -9.922 -15.884 1.00 13.22 H new ATOM 0 HD13 LEU A 34 -7.855 -10.908 -16.923 1.00 13.22 H new ATOM 0 HD21 LEU A 34 -5.648 -8.760 -17.183 1.00 23.42 H new ATOM 0 HD22 LEU A 34 -6.274 -9.669 -18.579 1.00 23.42 H new ATOM 0 HD23 LEU A 34 -6.310 -7.890 -18.588 1.00 23.42 H new ATOM 535 N ARG A 35 -10.522 -7.203 -16.007 1.00 45.42 N ATOM 536 CA ARG A 35 -10.537 -5.929 -15.295 1.00 73.23 C ATOM 537 C ARG A 35 -9.384 -5.871 -14.350 1.00 64.44 C ATOM 538 O ARG A 35 -9.328 -6.630 -13.416 1.00 3.44 O ATOM 539 CB ARG A 35 -11.805 -5.756 -14.486 1.00 64.24 C ATOM 540 CG ARG A 35 -13.064 -5.610 -15.276 1.00 13.12 C ATOM 541 CD ARG A 35 -14.232 -5.514 -14.336 1.00 21.25 C ATOM 542 NE ARG A 35 -15.506 -5.514 -15.031 1.00 14.13 N ATOM 543 CZ ARG A 35 -16.569 -6.181 -14.609 1.00 21.31 C ATOM 544 NH1 ARG A 35 -16.528 -6.824 -13.452 1.00 73.14 N ATOM 545 NH2 ARG A 35 -17.666 -6.209 -15.338 1.00 53.05 N ATOM 0 H ARG A 35 -10.578 -8.023 -15.403 1.00 45.42 H new ATOM 0 HA ARG A 35 -10.477 -5.138 -16.042 1.00 73.23 H new ATOM 0 HB2 ARG A 35 -11.911 -6.615 -13.824 1.00 64.24 H new ATOM 0 HB3 ARG A 35 -11.692 -4.877 -13.852 1.00 64.24 H new ATOM 0 HG2 ARG A 35 -13.013 -4.719 -15.902 1.00 13.12 H new ATOM 0 HG3 ARG A 35 -13.189 -6.463 -15.944 1.00 13.12 H new ATOM 0 HD2 ARG A 35 -14.202 -6.351 -13.638 1.00 21.25 H new ATOM 0 HD3 ARG A 35 -14.144 -4.603 -13.745 1.00 21.25 H new ATOM 0 HE ARG A 35 -15.587 -4.971 -15.891 1.00 14.13 H new ATOM 0 HH11 ARG A 35 -15.679 -6.805 -12.888 1.00 73.14 H new ATOM 0 HH12 ARG A 35 -17.346 -7.338 -13.125 1.00 73.14 H new ATOM 0 HH21 ARG A 35 -17.698 -5.716 -16.230 1.00 53.05 H new ATOM 0 HH22 ARG A 35 -18.483 -6.724 -15.010 1.00 53.05 H new ATOM 559 N CYS A 36 -8.463 -5.017 -14.588 1.00 25.02 N ATOM 560 CA CYS A 36 -7.358 -4.900 -13.685 1.00 73.40 C ATOM 561 C CYS A 36 -7.295 -3.497 -13.148 1.00 30.23 C ATOM 562 O CYS A 36 -7.555 -2.575 -13.868 1.00 41.23 O ATOM 563 CB CYS A 36 -6.068 -5.213 -14.379 1.00 50.43 C ATOM 564 SG CYS A 36 -4.793 -5.823 -13.225 1.00 5.53 S ATOM 0 H CYS A 36 -8.441 -4.388 -15.391 1.00 25.02 H new ATOM 0 HA CYS A 36 -7.503 -5.610 -12.871 1.00 73.40 H new ATOM 0 HB2 CYS A 36 -6.245 -5.962 -15.151 1.00 50.43 H new ATOM 0 HB3 CYS A 36 -5.702 -4.318 -14.882 1.00 50.43 H new ATOM 569 N VAL A 37 -6.970 -3.345 -11.890 1.00 34.12 N ATOM 570 CA VAL A 37 -6.852 -2.025 -11.293 1.00 21.04 C ATOM 571 C VAL A 37 -5.510 -1.917 -10.604 1.00 43.41 C ATOM 572 O VAL A 37 -5.158 -2.775 -9.789 1.00 55.32 O ATOM 573 CB VAL A 37 -7.976 -1.754 -10.263 1.00 75.21 C ATOM 574 CG1 VAL A 37 -7.918 -0.329 -9.752 1.00 3.15 C ATOM 575 CG2 VAL A 37 -9.339 -2.087 -10.840 1.00 13.12 C ATOM 0 H VAL A 37 -6.780 -4.117 -11.251 1.00 34.12 H new ATOM 0 HA VAL A 37 -6.942 -1.284 -12.088 1.00 21.04 H new ATOM 0 HB VAL A 37 -7.814 -2.412 -9.409 1.00 75.21 H new ATOM 0 HG11 VAL A 37 -8.719 -0.168 -9.031 1.00 3.15 H new ATOM 0 HG12 VAL A 37 -6.956 -0.154 -9.271 1.00 3.15 H new ATOM 0 HG13 VAL A 37 -8.037 0.362 -10.587 1.00 3.15 H new ATOM 0 HG21 VAL A 37 -10.109 -1.887 -10.094 1.00 13.12 H new ATOM 0 HG22 VAL A 37 -9.520 -1.473 -11.722 1.00 13.12 H new ATOM 0 HG23 VAL A 37 -9.369 -3.140 -11.118 1.00 13.12 H new ATOM 585 N ILE A 38 -4.756 -0.902 -10.947 1.00 4.43 N ATOM 586 CA ILE A 38 -3.427 -0.718 -10.399 1.00 43.40 C ATOM 587 C ILE A 38 -3.328 0.575 -9.615 1.00 42.53 C ATOM 588 O ILE A 38 -3.504 1.646 -10.165 1.00 2.11 O ATOM 589 CB ILE A 38 -2.384 -0.660 -11.525 1.00 55.34 C ATOM 590 CG1 ILE A 38 -2.488 -1.897 -12.392 1.00 50.53 C ATOM 591 CG2 ILE A 38 -0.970 -0.537 -10.941 1.00 61.04 C ATOM 592 CD1 ILE A 38 -1.606 -1.854 -13.586 1.00 65.20 C ATOM 0 H ILE A 38 -5.041 -0.181 -11.610 1.00 4.43 H new ATOM 0 HA ILE A 38 -3.236 -1.565 -9.740 1.00 43.40 H new ATOM 0 HB ILE A 38 -2.581 0.219 -12.139 1.00 55.34 H new ATOM 0 HG12 ILE A 38 -2.236 -2.773 -11.794 1.00 50.53 H new ATOM 0 HG13 ILE A 38 -3.521 -2.019 -12.717 1.00 50.53 H new ATOM 0 HG21 ILE A 38 -0.243 -0.497 -11.753 1.00 61.04 H new ATOM 0 HG22 ILE A 38 -0.900 0.374 -10.346 1.00 61.04 H new ATOM 0 HG23 ILE A 38 -0.761 -1.400 -10.309 1.00 61.04 H new ATOM 0 HD11 ILE A 38 -1.730 -2.770 -14.163 1.00 65.20 H new ATOM 0 HD12 ILE A 38 -1.872 -0.997 -14.204 1.00 65.20 H new ATOM 0 HD13 ILE A 38 -0.567 -1.763 -13.268 1.00 65.20 H new ATOM 604 N PHE A 39 -3.035 0.451 -8.356 1.00 42.01 N ATOM 605 CA PHE A 39 -2.792 1.561 -7.481 1.00 14.12 C ATOM 606 C PHE A 39 -1.314 1.801 -7.391 1.00 73.31 C ATOM 607 O PHE A 39 -0.599 1.000 -6.783 1.00 73.11 O ATOM 608 CB PHE A 39 -3.303 1.268 -6.079 1.00 21.31 C ATOM 609 CG PHE A 39 -4.770 1.306 -5.935 1.00 52.04 C ATOM 610 CD1 PHE A 39 -5.562 0.243 -6.332 1.00 33.44 C ATOM 611 CD2 PHE A 39 -5.364 2.431 -5.400 1.00 15.44 C ATOM 612 CE1 PHE A 39 -6.940 0.313 -6.192 1.00 31.43 C ATOM 613 CE2 PHE A 39 -6.719 2.514 -5.255 1.00 72.34 C ATOM 614 CZ PHE A 39 -7.521 1.454 -5.652 1.00 33.40 C ATOM 0 H PHE A 39 -2.956 -0.454 -7.893 1.00 42.01 H new ATOM 0 HA PHE A 39 -3.310 2.432 -7.882 1.00 14.12 H new ATOM 0 HB2 PHE A 39 -2.948 0.283 -5.776 1.00 21.31 H new ATOM 0 HB3 PHE A 39 -2.866 1.990 -5.390 1.00 21.31 H new ATOM 0 HD1 PHE A 39 -5.107 -0.642 -6.751 1.00 33.44 H new ATOM 0 HD2 PHE A 39 -4.746 3.261 -5.090 1.00 15.44 H new ATOM 0 HE1 PHE A 39 -7.559 -0.516 -6.501 1.00 31.43 H new ATOM 0 HE2 PHE A 39 -7.165 3.402 -4.833 1.00 72.34 H new ATOM 0 HZ PHE A 39 -8.594 1.515 -5.542 1.00 33.40 H new ATOM 624 N ILE A 40 -0.826 2.853 -8.000 1.00 1.20 N ATOM 625 CA ILE A 40 0.597 3.115 -7.892 1.00 25.51 C ATOM 626 C ILE A 40 0.769 4.087 -6.772 1.00 52.52 C ATOM 627 O ILE A 40 0.267 5.224 -6.861 1.00 25.31 O ATOM 628 CB ILE A 40 1.176 3.782 -9.152 1.00 74.13 C ATOM 629 CG1 ILE A 40 0.519 3.233 -10.411 1.00 42.10 C ATOM 630 CG2 ILE A 40 2.695 3.630 -9.199 1.00 31.34 C ATOM 631 CD1 ILE A 40 1.119 3.728 -11.707 1.00 21.41 C ATOM 0 H ILE A 40 -1.362 3.520 -8.555 1.00 1.20 H new ATOM 0 HA ILE A 40 1.111 2.166 -7.742 1.00 25.51 H new ATOM 0 HB ILE A 40 0.953 4.848 -9.106 1.00 74.13 H new ATOM 0 HG12 ILE A 40 0.580 2.145 -10.391 1.00 42.10 H new ATOM 0 HG13 ILE A 40 -0.539 3.493 -10.394 1.00 42.10 H new ATOM 0 HG21 ILE A 40 3.081 4.109 -10.099 1.00 31.34 H new ATOM 0 HG22 ILE A 40 3.135 4.100 -8.320 1.00 31.34 H new ATOM 0 HG23 ILE A 40 2.954 2.571 -9.212 1.00 31.34 H new ATOM 0 HD11 ILE A 40 0.586 3.283 -12.548 1.00 21.41 H new ATOM 0 HD12 ILE A 40 1.033 4.814 -11.756 1.00 21.41 H new ATOM 0 HD13 ILE A 40 2.170 3.445 -11.753 1.00 21.41 H new ATOM 643 N THR A 41 1.458 3.694 -5.747 1.00 2.22 N ATOM 644 CA THR A 41 1.645 4.561 -4.639 1.00 32.11 C ATOM 645 C THR A 41 3.105 4.930 -4.513 1.00 10.22 C ATOM 646 O THR A 41 3.933 4.453 -5.288 1.00 75.35 O ATOM 647 CB THR A 41 1.118 3.966 -3.311 1.00 41.04 C ATOM 648 OG1 THR A 41 1.861 2.788 -2.970 1.00 71.32 O ATOM 649 CG2 THR A 41 -0.356 3.595 -3.416 1.00 63.04 C ATOM 0 H THR A 41 1.898 2.778 -5.659 1.00 2.22 H new ATOM 0 HA THR A 41 1.056 5.458 -4.831 1.00 32.11 H new ATOM 0 HB THR A 41 1.240 4.727 -2.540 1.00 41.04 H new ATOM 0 HG1 THR A 41 1.892 2.186 -3.742 1.00 71.32 H new ATOM 0 HG21 THR A 41 -0.695 3.180 -2.467 1.00 63.04 H new ATOM 0 HG22 THR A 41 -0.939 4.485 -3.652 1.00 63.04 H new ATOM 0 HG23 THR A 41 -0.489 2.854 -4.204 1.00 63.04 H new ATOM 657 N LYS A 42 3.418 5.755 -3.542 1.00 32.32 N ATOM 658 CA LYS A 42 4.787 6.240 -3.356 1.00 41.30 C ATOM 659 C LYS A 42 5.811 5.192 -2.871 1.00 41.42 C ATOM 660 O LYS A 42 7.008 5.469 -2.854 1.00 4.15 O ATOM 661 CB LYS A 42 4.846 7.572 -2.555 1.00 25.15 C ATOM 662 CG LYS A 42 4.038 7.621 -1.258 1.00 31.35 C ATOM 663 CD LYS A 42 4.492 6.601 -0.241 1.00 22.33 C ATOM 664 CE LYS A 42 3.639 6.667 1.004 1.00 42.24 C ATOM 665 NZ LYS A 42 3.986 5.617 1.980 1.00 0.32 N ATOM 0 H LYS A 42 2.748 6.112 -2.860 1.00 32.32 H new ATOM 0 HA LYS A 42 5.124 6.462 -4.369 1.00 41.30 H new ATOM 0 HB2 LYS A 42 5.889 7.781 -2.316 1.00 25.15 H new ATOM 0 HB3 LYS A 42 4.500 8.377 -3.204 1.00 25.15 H new ATOM 0 HG2 LYS A 42 4.117 8.618 -0.825 1.00 31.35 H new ATOM 0 HG3 LYS A 42 2.985 7.455 -1.486 1.00 31.35 H new ATOM 0 HD2 LYS A 42 4.437 5.602 -0.672 1.00 22.33 H new ATOM 0 HD3 LYS A 42 5.536 6.779 0.018 1.00 22.33 H new ATOM 0 HE2 LYS A 42 3.756 7.645 1.470 1.00 42.24 H new ATOM 0 HE3 LYS A 42 2.589 6.569 0.727 1.00 42.24 H new ATOM 0 HZ1 LYS A 42 3.374 5.704 2.816 1.00 0.32 H new ATOM 0 HZ2 LYS A 42 3.849 4.681 1.547 1.00 0.32 H new ATOM 0 HZ3 LYS A 42 4.980 5.724 2.266 1.00 0.32 H new ATOM 679 N ARG A 43 5.352 4.008 -2.459 1.00 15.51 N ATOM 680 CA ARG A 43 6.293 2.945 -2.074 1.00 24.42 C ATOM 681 C ARG A 43 5.880 1.583 -2.572 1.00 51.13 C ATOM 682 O ARG A 43 6.408 0.567 -2.116 1.00 43.20 O ATOM 683 CB ARG A 43 6.517 2.842 -0.579 1.00 62.22 C ATOM 684 CG ARG A 43 7.165 4.032 0.061 1.00 71.12 C ATOM 685 CD ARG A 43 7.836 3.596 1.326 1.00 34.23 C ATOM 686 NE ARG A 43 8.927 2.651 1.009 1.00 53.51 N ATOM 687 CZ ARG A 43 9.579 1.881 1.876 1.00 32.35 C ATOM 688 NH1 ARG A 43 9.250 1.875 3.160 1.00 4.24 N ATOM 689 NH2 ARG A 43 10.566 1.106 1.449 1.00 52.14 N ATOM 0 H ARG A 43 4.365 3.762 -2.383 1.00 15.51 H new ATOM 0 HA ARG A 43 7.224 3.247 -2.554 1.00 24.42 H new ATOM 0 HB2 ARG A 43 5.555 2.671 -0.096 1.00 62.22 H new ATOM 0 HB3 ARG A 43 7.133 1.965 -0.381 1.00 62.22 H new ATOM 0 HG2 ARG A 43 7.893 4.476 -0.618 1.00 71.12 H new ATOM 0 HG3 ARG A 43 6.420 4.798 0.274 1.00 71.12 H new ATOM 0 HD2 ARG A 43 8.234 4.462 1.855 1.00 34.23 H new ATOM 0 HD3 ARG A 43 7.112 3.122 1.989 1.00 34.23 H new ATOM 0 HE ARG A 43 9.207 2.582 0.031 1.00 53.51 H new ATOM 0 HH11 ARG A 43 8.488 2.466 3.494 1.00 4.24 H new ATOM 0 HH12 ARG A 43 9.758 1.280 3.814 1.00 4.24 H new ATOM 0 HH21 ARG A 43 10.821 1.103 0.461 1.00 52.14 H new ATOM 0 HH22 ARG A 43 11.070 0.513 2.108 1.00 52.14 H new ATOM 703 N GLY A 44 4.985 1.527 -3.505 1.00 4.41 N ATOM 704 CA GLY A 44 4.570 0.247 -3.963 1.00 74.02 C ATOM 705 C GLY A 44 3.370 0.304 -4.819 1.00 3.12 C ATOM 706 O GLY A 44 2.775 1.372 -5.006 1.00 0.11 O ATOM 0 H GLY A 44 4.540 2.329 -3.952 1.00 4.41 H new ATOM 0 HA2 GLY A 44 5.385 -0.216 -4.519 1.00 74.02 H new ATOM 0 HA3 GLY A 44 4.367 -0.392 -3.104 1.00 74.02 H new ATOM 710 N LEU A 45 3.002 -0.818 -5.349 1.00 0.44 N ATOM 711 CA LEU A 45 1.858 -0.890 -6.191 1.00 11.35 C ATOM 712 C LEU A 45 0.925 -1.979 -5.755 1.00 74.54 C ATOM 713 O LEU A 45 1.344 -3.034 -5.276 1.00 34.14 O ATOM 714 CB LEU A 45 2.206 -1.082 -7.687 1.00 12.12 C ATOM 715 CG LEU A 45 3.023 0.019 -8.382 1.00 41.03 C ATOM 716 CD1 LEU A 45 4.493 -0.004 -7.975 1.00 20.12 C ATOM 717 CD2 LEU A 45 2.862 -0.065 -9.881 1.00 73.33 C ATOM 0 H LEU A 45 3.486 -1.705 -5.210 1.00 0.44 H new ATOM 0 HA LEU A 45 1.366 0.077 -6.090 1.00 11.35 H new ATOM 0 HB2 LEU A 45 2.755 -2.018 -7.785 1.00 12.12 H new ATOM 0 HB3 LEU A 45 1.271 -1.202 -8.235 1.00 12.12 H new ATOM 0 HG LEU A 45 2.626 0.978 -8.048 1.00 41.03 H new ATOM 0 HD11 LEU A 45 5.027 0.793 -8.493 1.00 20.12 H new ATOM 0 HD12 LEU A 45 4.575 0.145 -6.898 1.00 20.12 H new ATOM 0 HD13 LEU A 45 4.930 -0.966 -8.242 1.00 20.12 H new ATOM 0 HD21 LEU A 45 3.448 0.723 -10.355 1.00 73.33 H new ATOM 0 HD22 LEU A 45 3.211 -1.037 -10.231 1.00 73.33 H new ATOM 0 HD23 LEU A 45 1.811 0.058 -10.142 1.00 73.33 H new ATOM 729 N LYS A 46 -0.314 -1.706 -5.907 1.00 2.11 N ATOM 730 CA LYS A 46 -1.364 -2.636 -5.665 1.00 34.22 C ATOM 731 C LYS A 46 -2.049 -2.912 -6.975 1.00 21.41 C ATOM 732 O LYS A 46 -2.557 -2.017 -7.609 1.00 11.53 O ATOM 733 CB LYS A 46 -2.343 -2.069 -4.629 1.00 44.23 C ATOM 734 CG LYS A 46 -3.751 -2.638 -4.706 1.00 23.43 C ATOM 735 CD LYS A 46 -4.660 -1.935 -3.739 1.00 43.23 C ATOM 736 CE LYS A 46 -6.106 -2.239 -4.024 1.00 63.42 C ATOM 737 NZ LYS A 46 -7.001 -1.608 -3.034 1.00 42.42 N ATOM 0 H LYS A 46 -0.645 -0.792 -6.216 1.00 2.11 H new ATOM 0 HA LYS A 46 -0.969 -3.567 -5.259 1.00 34.22 H new ATOM 0 HB2 LYS A 46 -1.944 -2.256 -3.632 1.00 44.23 H new ATOM 0 HB3 LYS A 46 -2.396 -0.987 -4.753 1.00 44.23 H new ATOM 0 HG2 LYS A 46 -4.137 -2.531 -5.720 1.00 23.43 H new ATOM 0 HG3 LYS A 46 -3.730 -3.705 -4.484 1.00 23.43 H new ATOM 0 HD2 LYS A 46 -4.416 -2.240 -2.721 1.00 43.23 H new ATOM 0 HD3 LYS A 46 -4.494 -0.859 -3.798 1.00 43.23 H new ATOM 0 HE2 LYS A 46 -6.362 -1.886 -5.023 1.00 63.42 H new ATOM 0 HE3 LYS A 46 -6.259 -3.318 -4.018 1.00 63.42 H new ATOM 0 HZ1 LYS A 46 -7.989 -1.839 -3.262 1.00 42.42 H new ATOM 0 HZ2 LYS A 46 -6.773 -1.963 -2.084 1.00 42.42 H new ATOM 0 HZ3 LYS A 46 -6.873 -0.576 -3.058 1.00 42.42 H new ATOM 751 N VAL A 47 -2.056 -4.122 -7.355 1.00 50.14 N ATOM 752 CA VAL A 47 -2.618 -4.519 -8.615 1.00 30.43 C ATOM 753 C VAL A 47 -3.665 -5.591 -8.402 1.00 11.34 C ATOM 754 O VAL A 47 -3.468 -6.532 -7.620 1.00 51.14 O ATOM 755 CB VAL A 47 -1.509 -4.986 -9.615 1.00 55.22 C ATOM 756 CG1 VAL A 47 -0.682 -6.133 -9.044 1.00 2.31 C ATOM 757 CG2 VAL A 47 -2.114 -5.376 -10.952 1.00 61.40 C ATOM 0 H VAL A 47 -1.671 -4.891 -6.807 1.00 50.14 H new ATOM 0 HA VAL A 47 -3.103 -3.653 -9.065 1.00 30.43 H new ATOM 0 HB VAL A 47 -0.838 -4.142 -9.773 1.00 55.22 H new ATOM 0 HG11 VAL A 47 0.077 -6.429 -9.768 1.00 2.31 H new ATOM 0 HG12 VAL A 47 -0.198 -5.809 -8.122 1.00 2.31 H new ATOM 0 HG13 VAL A 47 -1.333 -6.981 -8.833 1.00 2.31 H new ATOM 0 HG21 VAL A 47 -1.323 -5.697 -11.630 1.00 61.40 H new ATOM 0 HG22 VAL A 47 -2.821 -6.193 -10.807 1.00 61.40 H new ATOM 0 HG23 VAL A 47 -2.633 -4.519 -11.380 1.00 61.40 H new ATOM 767 N CYS A 48 -4.784 -5.435 -9.034 1.00 35.40 N ATOM 768 CA CYS A 48 -5.835 -6.377 -8.876 1.00 21.11 C ATOM 769 C CYS A 48 -6.459 -6.684 -10.226 1.00 63.33 C ATOM 770 O CYS A 48 -7.215 -5.876 -10.755 1.00 20.43 O ATOM 771 CB CYS A 48 -6.884 -5.795 -7.932 1.00 11.45 C ATOM 772 SG CYS A 48 -8.073 -7.000 -7.279 1.00 62.10 S ATOM 0 H CYS A 48 -4.990 -4.661 -9.665 1.00 35.40 H new ATOM 0 HA CYS A 48 -5.441 -7.303 -8.456 1.00 21.11 H new ATOM 0 HB2 CYS A 48 -6.374 -5.318 -7.095 1.00 11.45 H new ATOM 0 HB3 CYS A 48 -7.432 -5.013 -8.458 1.00 11.45 H new ATOM 777 N CYS A 49 -6.089 -7.804 -10.820 1.00 52.20 N ATOM 778 CA CYS A 49 -6.703 -8.215 -12.072 1.00 54.45 C ATOM 779 C CYS A 49 -7.809 -9.226 -11.805 1.00 43.15 C ATOM 780 O CYS A 49 -7.635 -10.153 -11.027 1.00 74.00 O ATOM 781 CB CYS A 49 -5.687 -8.825 -13.073 1.00 73.14 C ATOM 782 SG CYS A 49 -4.407 -7.716 -13.828 1.00 42.54 S ATOM 0 H CYS A 49 -5.376 -8.439 -10.462 1.00 52.20 H new ATOM 0 HA CYS A 49 -7.111 -7.313 -12.528 1.00 54.45 H new ATOM 0 HB2 CYS A 49 -5.164 -9.634 -12.562 1.00 73.14 H new ATOM 0 HB3 CYS A 49 -6.255 -9.277 -13.887 1.00 73.14 H new ATOM 787 N ASP A 50 -8.931 -9.028 -12.436 1.00 5.00 N ATOM 788 CA ASP A 50 -10.053 -9.931 -12.345 1.00 23.45 C ATOM 789 C ASP A 50 -10.610 -10.153 -13.744 1.00 45.43 C ATOM 790 O ASP A 50 -10.961 -9.208 -14.407 1.00 20.33 O ATOM 791 CB ASP A 50 -11.154 -9.347 -11.456 1.00 43.41 C ATOM 792 CG ASP A 50 -12.301 -10.322 -11.262 1.00 70.32 C ATOM 793 OD1 ASP A 50 -12.249 -11.130 -10.310 1.00 13.44 O ATOM 794 OD2 ASP A 50 -13.270 -10.294 -12.056 1.00 3.01 O ATOM 0 H ASP A 50 -9.099 -8.223 -13.039 1.00 5.00 H new ATOM 0 HA ASP A 50 -9.717 -10.871 -11.907 1.00 23.45 H new ATOM 0 HB2 ASP A 50 -10.735 -9.082 -10.485 1.00 43.41 H new ATOM 0 HB3 ASP A 50 -11.531 -8.427 -11.902 1.00 43.41 H new ATOM 799 N PRO A 51 -10.688 -11.393 -14.208 1.00 70.24 N ATOM 800 CA PRO A 51 -11.183 -11.748 -15.567 1.00 51.33 C ATOM 801 C PRO A 51 -12.665 -11.403 -15.834 1.00 33.35 C ATOM 802 O PRO A 51 -13.179 -11.736 -16.910 1.00 73.05 O ATOM 803 CB PRO A 51 -10.999 -13.266 -15.630 1.00 73.01 C ATOM 804 CG PRO A 51 -10.039 -13.572 -14.546 1.00 21.50 C ATOM 805 CD PRO A 51 -10.293 -12.565 -13.479 1.00 43.21 C ATOM 0 HA PRO A 51 -10.638 -11.177 -16.319 1.00 51.33 H new ATOM 0 HB2 PRO A 51 -11.945 -13.786 -15.480 1.00 73.01 H new ATOM 0 HB3 PRO A 51 -10.614 -13.579 -16.601 1.00 73.01 H new ATOM 0 HG2 PRO A 51 -10.185 -14.585 -14.170 1.00 21.50 H new ATOM 0 HG3 PRO A 51 -9.012 -13.510 -14.905 1.00 21.50 H new ATOM 0 HD2 PRO A 51 -11.075 -12.894 -12.795 1.00 43.21 H new ATOM 0 HD3 PRO A 51 -9.401 -12.383 -12.879 1.00 43.21 H new ATOM 1207 N THR B 210 14.639 -3.670 -11.249 1.00 71.42 N ATOM 1208 CA THR B 210 14.131 -4.137 -9.997 1.00 75.10 C ATOM 1209 C THR B 210 12.626 -4.275 -10.100 1.00 22.55 C ATOM 1210 O THR B 210 11.890 -3.284 -10.063 1.00 32.12 O ATOM 1211 CB THR B 210 14.549 -3.228 -8.819 1.00 1.35 C ATOM 1212 OG1 THR B 210 14.148 -1.859 -9.057 1.00 20.42 O ATOM 1213 CG2 THR B 210 16.056 -3.289 -8.615 1.00 44.51 C ATOM 0 HA THR B 210 14.567 -5.113 -9.782 1.00 75.10 H new ATOM 0 HB THR B 210 14.048 -3.589 -7.921 1.00 1.35 H new ATOM 0 HG1 THR B 210 13.262 -1.846 -9.475 1.00 20.42 H new ATOM 0 HG21 THR B 210 16.337 -2.644 -7.782 1.00 44.51 H new ATOM 0 HG22 THR B 210 16.352 -4.315 -8.396 1.00 44.51 H new ATOM 0 HG23 THR B 210 16.560 -2.952 -9.521 1.00 44.51 H new ATOM 1221 N CYS B 211 12.176 -5.484 -10.262 1.00 53.41 N ATOM 1222 CA CYS B 211 10.795 -5.726 -10.533 1.00 52.24 C ATOM 1223 C CYS B 211 10.210 -6.611 -9.469 1.00 44.33 C ATOM 1224 O CYS B 211 10.904 -7.473 -8.907 1.00 74.34 O ATOM 1225 CB CYS B 211 10.663 -6.424 -11.884 1.00 33.43 C ATOM 1226 SG CYS B 211 11.587 -5.628 -13.260 1.00 32.54 S ATOM 0 H CYS B 211 12.753 -6.323 -10.210 1.00 53.41 H new ATOM 0 HA CYS B 211 10.262 -4.775 -10.547 1.00 52.24 H new ATOM 0 HB2 CYS B 211 11.009 -7.452 -11.781 1.00 33.43 H new ATOM 0 HB3 CYS B 211 9.607 -6.468 -12.152 1.00 33.43 H new ATOM 1231 N VAL B 212 8.963 -6.403 -9.183 1.00 5.35 N ATOM 1232 CA VAL B 212 8.263 -7.206 -8.232 1.00 70.25 C ATOM 1233 C VAL B 212 7.179 -8.014 -8.956 1.00 53.40 C ATOM 1234 O VAL B 212 6.433 -7.481 -9.783 1.00 3.21 O ATOM 1235 CB VAL B 212 7.679 -6.339 -7.064 1.00 74.24 C ATOM 1236 CG1 VAL B 212 8.810 -5.732 -6.239 1.00 22.15 C ATOM 1237 CG2 VAL B 212 6.786 -5.221 -7.598 1.00 23.01 C ATOM 0 H VAL B 212 8.399 -5.666 -9.606 1.00 5.35 H new ATOM 0 HA VAL B 212 8.960 -7.903 -7.767 1.00 70.25 H new ATOM 0 HB VAL B 212 7.078 -6.995 -6.434 1.00 74.24 H new ATOM 0 HG11 VAL B 212 8.390 -5.132 -5.431 1.00 22.15 H new ATOM 0 HG12 VAL B 212 9.422 -6.530 -5.818 1.00 22.15 H new ATOM 0 HG13 VAL B 212 9.427 -5.100 -6.877 1.00 22.15 H new ATOM 0 HG21 VAL B 212 6.396 -4.637 -6.764 1.00 23.01 H new ATOM 0 HG22 VAL B 212 7.367 -4.573 -8.254 1.00 23.01 H new ATOM 0 HG23 VAL B 212 5.957 -5.654 -8.157 1.00 23.01 H new ATOM 1247 N SER B 213 7.104 -9.289 -8.690 1.00 44.31 N ATOM 1248 CA SER B 213 6.165 -10.115 -9.405 1.00 41.34 C ATOM 1249 C SER B 213 5.501 -11.169 -8.537 1.00 64.43 C ATOM 1250 O SER B 213 6.160 -11.843 -7.726 1.00 32.34 O ATOM 1251 CB SER B 213 6.835 -10.733 -10.646 1.00 53.15 C ATOM 1252 OG SER B 213 8.059 -11.387 -10.320 1.00 13.33 O ATOM 0 H SER B 213 7.671 -9.775 -7.995 1.00 44.31 H new ATOM 0 HA SER B 213 5.355 -9.464 -9.732 1.00 41.34 H new ATOM 0 HB2 SER B 213 6.154 -11.447 -11.108 1.00 53.15 H new ATOM 0 HB3 SER B 213 7.026 -9.952 -11.382 1.00 53.15 H new ATOM 0 HG SER B 213 8.453 -11.768 -11.133 1.00 13.33 H new ATOM 1258 N LEU B 214 4.199 -11.300 -8.709 1.00 45.44 N ATOM 1259 CA LEU B 214 3.397 -12.304 -7.995 1.00 33.31 C ATOM 1260 C LEU B 214 2.480 -13.053 -8.920 1.00 73.54 C ATOM 1261 O LEU B 214 1.956 -12.500 -9.877 1.00 2.41 O ATOM 1262 CB LEU B 214 2.570 -11.711 -6.860 1.00 54.43 C ATOM 1263 CG LEU B 214 3.317 -11.268 -5.608 1.00 2.42 C ATOM 1264 CD1 LEU B 214 2.340 -10.653 -4.632 1.00 34.41 C ATOM 1265 CD2 LEU B 214 4.021 -12.455 -4.956 1.00 14.14 C ATOM 0 H LEU B 214 3.657 -10.717 -9.347 1.00 45.44 H new ATOM 0 HA LEU B 214 4.126 -12.992 -7.567 1.00 33.31 H new ATOM 0 HB2 LEU B 214 2.028 -10.850 -7.252 1.00 54.43 H new ATOM 0 HB3 LEU B 214 1.825 -12.449 -6.564 1.00 54.43 H new ATOM 0 HG LEU B 214 4.070 -10.531 -5.888 1.00 2.42 H new ATOM 0 HD11 LEU B 214 2.872 -10.335 -3.736 1.00 34.41 H new ATOM 0 HD12 LEU B 214 1.859 -9.790 -5.093 1.00 34.41 H new ATOM 0 HD13 LEU B 214 1.583 -11.389 -4.362 1.00 34.41 H new ATOM 0 HD21 LEU B 214 4.549 -12.119 -4.064 1.00 14.14 H new ATOM 0 HD22 LEU B 214 3.283 -13.208 -4.679 1.00 14.14 H new ATOM 0 HD23 LEU B 214 4.734 -12.886 -5.659 1.00 14.14 H new ATOM 1277 N THR B 215 2.299 -14.299 -8.634 1.00 25.33 N ATOM 1278 CA THR B 215 1.418 -15.139 -9.390 1.00 23.00 C ATOM 1279 C THR B 215 0.064 -15.244 -8.691 1.00 20.03 C ATOM 1280 O THR B 215 0.001 -15.452 -7.483 1.00 13.34 O ATOM 1281 CB THR B 215 2.040 -16.537 -9.628 1.00 54.32 C ATOM 1282 OG1 THR B 215 2.546 -17.068 -8.391 1.00 61.30 O ATOM 1283 CG2 THR B 215 3.161 -16.467 -10.660 1.00 42.02 C ATOM 0 H THR B 215 2.763 -14.773 -7.859 1.00 25.33 H new ATOM 0 HA THR B 215 1.265 -14.685 -10.369 1.00 23.00 H new ATOM 0 HB THR B 215 1.261 -17.196 -10.012 1.00 54.32 H new ATOM 0 HG1 THR B 215 2.936 -17.953 -8.550 1.00 61.30 H new ATOM 0 HG21 THR B 215 3.581 -17.462 -10.809 1.00 42.02 H new ATOM 0 HG22 THR B 215 2.763 -16.096 -11.605 1.00 42.02 H new ATOM 0 HG23 THR B 215 3.941 -15.793 -10.305 1.00 42.02 H new ATOM 1291 N THR B 216 -0.993 -15.062 -9.434 1.00 35.42 N ATOM 1292 CA THR B 216 -2.323 -15.092 -8.897 1.00 33.13 C ATOM 1293 C THR B 216 -3.276 -15.639 -9.956 1.00 2.12 C ATOM 1294 O THR B 216 -3.105 -15.351 -11.150 1.00 52.31 O ATOM 1295 CB THR B 216 -2.766 -13.658 -8.405 1.00 11.41 C ATOM 1296 OG1 THR B 216 -4.100 -13.666 -7.863 1.00 3.21 O ATOM 1297 CG2 THR B 216 -2.676 -12.622 -9.526 1.00 71.33 C ATOM 0 H THR B 216 -0.954 -14.887 -10.438 1.00 35.42 H new ATOM 0 HA THR B 216 -2.348 -15.748 -8.027 1.00 33.13 H new ATOM 0 HB THR B 216 -2.071 -13.379 -7.614 1.00 11.41 H new ATOM 0 HG1 THR B 216 -4.339 -12.763 -7.568 1.00 3.21 H new ATOM 0 HG21 THR B 216 -2.989 -11.649 -9.148 1.00 71.33 H new ATOM 0 HG22 THR B 216 -1.648 -12.559 -9.882 1.00 71.33 H new ATOM 0 HG23 THR B 216 -3.327 -12.918 -10.348 1.00 71.33 H new ATOM 1305 N GLN B 217 -4.231 -16.465 -9.509 1.00 22.31 N ATOM 1306 CA GLN B 217 -5.271 -17.077 -10.355 1.00 75.53 C ATOM 1307 C GLN B 217 -4.679 -18.032 -11.386 1.00 31.21 C ATOM 1308 O GLN B 217 -3.460 -18.232 -11.455 1.00 53.42 O ATOM 1309 CB GLN B 217 -6.113 -16.009 -11.058 1.00 24.15 C ATOM 1310 CG GLN B 217 -6.791 -15.031 -10.122 1.00 10.13 C ATOM 1311 CD GLN B 217 -7.579 -13.992 -10.870 1.00 74.42 C ATOM 1312 OE1 GLN B 217 -8.105 -14.249 -11.948 1.00 64.43 O ATOM 1313 NE2 GLN B 217 -7.663 -12.824 -10.316 1.00 33.52 N ATOM 0 H GLN B 217 -4.306 -16.734 -8.528 1.00 22.31 H new ATOM 0 HA GLN B 217 -5.915 -17.653 -9.691 1.00 75.53 H new ATOM 0 HB2 GLN B 217 -5.474 -15.453 -11.744 1.00 24.15 H new ATOM 0 HB3 GLN B 217 -6.874 -16.503 -11.661 1.00 24.15 H new ATOM 0 HG2 GLN B 217 -7.454 -15.574 -9.448 1.00 10.13 H new ATOM 0 HG3 GLN B 217 -6.040 -14.541 -9.503 1.00 10.13 H new ATOM 0 HE21 GLN B 217 -7.211 -12.652 -9.418 1.00 33.52 H new ATOM 0 HE22 GLN B 217 -8.182 -12.077 -10.778 1.00 33.52 H new ATOM 1322 N ARG B 218 -5.536 -18.642 -12.163 1.00 73.43 N ATOM 1323 CA ARG B 218 -5.093 -19.509 -13.223 1.00 44.35 C ATOM 1324 C ARG B 218 -6.079 -19.416 -14.396 1.00 13.13 C ATOM 1325 O ARG B 218 -6.047 -20.215 -15.328 1.00 14.22 O ATOM 1326 CB ARG B 218 -4.929 -20.952 -12.693 1.00 74.24 C ATOM 1327 CG ARG B 218 -4.309 -21.935 -13.681 1.00 61.42 C ATOM 1328 CD ARG B 218 -4.100 -23.300 -13.058 1.00 20.54 C ATOM 1329 NE ARG B 218 -5.351 -23.908 -12.594 1.00 54.34 N ATOM 1330 CZ ARG B 218 -5.421 -25.006 -11.836 1.00 2.41 C ATOM 1331 NH1 ARG B 218 -4.314 -25.607 -11.437 1.00 60.11 N ATOM 1332 NH2 ARG B 218 -6.597 -25.496 -11.464 1.00 33.33 N ATOM 0 H ARG B 218 -6.549 -18.554 -12.081 1.00 73.43 H new ATOM 0 HA ARG B 218 -4.115 -19.196 -13.588 1.00 44.35 H new ATOM 0 HB2 ARG B 218 -4.312 -20.925 -11.795 1.00 74.24 H new ATOM 0 HB3 ARG B 218 -5.908 -21.327 -12.396 1.00 74.24 H new ATOM 0 HG2 ARG B 218 -4.954 -22.029 -14.554 1.00 61.42 H new ATOM 0 HG3 ARG B 218 -3.353 -21.545 -14.031 1.00 61.42 H new ATOM 0 HD2 ARG B 218 -3.629 -23.959 -13.787 1.00 20.54 H new ATOM 0 HD3 ARG B 218 -3.411 -23.210 -12.218 1.00 20.54 H new ATOM 0 HE ARG B 218 -6.227 -23.463 -12.868 1.00 54.34 H new ATOM 0 HH11 ARG B 218 -3.405 -25.233 -11.708 1.00 60.11 H new ATOM 0 HH12 ARG B 218 -4.369 -26.445 -10.858 1.00 60.11 H new ATOM 0 HH21 ARG B 218 -7.458 -25.034 -11.757 1.00 33.33 H new ATOM 0 HH22 ARG B 218 -6.640 -26.335 -10.885 1.00 33.33 H new ATOM 1346 N LEU B 219 -6.938 -18.408 -14.353 1.00 54.22 N ATOM 1347 CA LEU B 219 -7.884 -18.183 -15.425 1.00 50.54 C ATOM 1348 C LEU B 219 -7.213 -17.283 -16.458 1.00 21.54 C ATOM 1349 O LEU B 219 -6.939 -16.116 -16.181 1.00 70.02 O ATOM 1350 CB LEU B 219 -9.197 -17.566 -14.889 1.00 33.43 C ATOM 1351 CG LEU B 219 -10.345 -17.382 -15.905 1.00 4.40 C ATOM 1352 CD1 LEU B 219 -10.668 -18.699 -16.587 1.00 53.44 C ATOM 1353 CD2 LEU B 219 -11.594 -16.869 -15.204 1.00 3.30 C ATOM 0 H LEU B 219 -6.996 -17.737 -13.587 1.00 54.22 H new ATOM 0 HA LEU B 219 -8.161 -19.129 -15.890 1.00 50.54 H new ATOM 0 HB2 LEU B 219 -9.560 -18.194 -14.076 1.00 33.43 H new ATOM 0 HB3 LEU B 219 -8.964 -16.592 -14.459 1.00 33.43 H new ATOM 0 HG LEU B 219 -10.021 -16.657 -16.652 1.00 4.40 H new ATOM 0 HD11 LEU B 219 -11.479 -18.550 -17.300 1.00 53.44 H new ATOM 0 HD12 LEU B 219 -9.785 -19.063 -17.113 1.00 53.44 H new ATOM 0 HD13 LEU B 219 -10.972 -19.431 -15.839 1.00 53.44 H new ATOM 0 HD21 LEU B 219 -12.395 -16.744 -15.933 1.00 3.30 H new ATOM 0 HD22 LEU B 219 -11.904 -17.585 -14.443 1.00 3.30 H new ATOM 0 HD23 LEU B 219 -11.379 -15.910 -14.733 1.00 3.30 H new ATOM 1365 N PRO B 220 -6.900 -17.840 -17.645 1.00 61.41 N ATOM 1366 CA PRO B 220 -6.130 -17.155 -18.681 1.00 3.00 C ATOM 1367 C PRO B 220 -6.653 -15.799 -19.125 1.00 40.30 C ATOM 1368 O PRO B 220 -7.864 -15.574 -19.270 1.00 74.35 O ATOM 1369 CB PRO B 220 -6.134 -18.139 -19.848 1.00 20.31 C ATOM 1370 CG PRO B 220 -6.316 -19.453 -19.203 1.00 4.33 C ATOM 1371 CD PRO B 220 -7.254 -19.206 -18.071 1.00 52.22 C ATOM 0 HA PRO B 220 -5.144 -16.906 -18.289 1.00 3.00 H new ATOM 0 HB2 PRO B 220 -6.940 -17.923 -20.550 1.00 20.31 H new ATOM 0 HB3 PRO B 220 -5.201 -18.096 -20.410 1.00 20.31 H new ATOM 0 HG2 PRO B 220 -6.726 -20.182 -19.902 1.00 4.33 H new ATOM 0 HG3 PRO B 220 -5.366 -19.852 -18.847 1.00 4.33 H new ATOM 0 HD2 PRO B 220 -8.295 -19.274 -18.386 1.00 52.22 H new ATOM 0 HD3 PRO B 220 -7.117 -19.929 -17.267 1.00 52.22 H new ATOM 1379 N VAL B 221 -5.705 -14.924 -19.358 1.00 75.51 N ATOM 1380 CA VAL B 221 -5.926 -13.594 -19.865 1.00 41.52 C ATOM 1381 C VAL B 221 -5.897 -13.632 -21.392 1.00 61.22 C ATOM 1382 O VAL B 221 -5.416 -14.616 -21.977 1.00 12.21 O ATOM 1383 CB VAL B 221 -4.851 -12.603 -19.335 1.00 11.40 C ATOM 1384 CG1 VAL B 221 -4.941 -12.489 -17.819 1.00 24.43 C ATOM 1385 CG2 VAL B 221 -3.453 -13.060 -19.739 1.00 23.34 C ATOM 0 H VAL B 221 -4.720 -15.129 -19.193 1.00 75.51 H new ATOM 0 HA VAL B 221 -6.899 -13.244 -19.520 1.00 41.52 H new ATOM 0 HB VAL B 221 -5.040 -11.625 -19.777 1.00 11.40 H new ATOM 0 HG11 VAL B 221 -4.183 -11.792 -17.461 1.00 24.43 H new ATOM 0 HG12 VAL B 221 -5.930 -12.125 -17.540 1.00 24.43 H new ATOM 0 HG13 VAL B 221 -4.775 -13.468 -17.370 1.00 24.43 H new ATOM 0 HG21 VAL B 221 -2.715 -12.353 -19.359 1.00 23.34 H new ATOM 0 HG22 VAL B 221 -3.258 -14.048 -19.321 1.00 23.34 H new ATOM 0 HG23 VAL B 221 -3.385 -13.106 -20.826 1.00 23.34 H new ATOM 1395 N SER B 222 -6.397 -12.595 -22.027 1.00 41.03 N ATOM 1396 CA SER B 222 -6.521 -12.562 -23.479 1.00 43.40 C ATOM 1397 C SER B 222 -5.134 -12.566 -24.185 1.00 4.41 C ATOM 1398 O SER B 222 -4.985 -13.090 -25.310 1.00 31.13 O ATOM 1399 CB SER B 222 -7.303 -11.308 -23.877 1.00 71.10 C ATOM 1400 OG SER B 222 -8.516 -11.198 -23.125 1.00 22.23 O ATOM 0 H SER B 222 -6.729 -11.751 -21.560 1.00 41.03 H new ATOM 0 HA SER B 222 -7.048 -13.461 -23.799 1.00 43.40 H new ATOM 0 HB2 SER B 222 -6.687 -10.424 -23.712 1.00 71.10 H new ATOM 0 HB3 SER B 222 -7.533 -11.342 -24.942 1.00 71.10 H new ATOM 0 HG SER B 222 -8.608 -10.284 -22.785 1.00 22.23 H new ATOM 1406 N ARG B 223 -4.137 -12.004 -23.523 1.00 4.44 N ATOM 1407 CA ARG B 223 -2.804 -11.854 -24.092 1.00 30.40 C ATOM 1408 C ARG B 223 -1.799 -11.550 -22.979 1.00 71.34 C ATOM 1409 O ARG B 223 -2.190 -11.168 -21.887 1.00 63.14 O ATOM 1410 CB ARG B 223 -2.851 -10.664 -25.086 1.00 15.33 C ATOM 1411 CG ARG B 223 -1.533 -10.278 -25.737 1.00 44.21 C ATOM 1412 CD ARG B 223 -1.702 -9.038 -26.588 1.00 51.24 C ATOM 1413 NE ARG B 223 -0.426 -8.553 -27.124 1.00 42.42 N ATOM 1414 CZ ARG B 223 -0.228 -7.311 -27.591 1.00 20.12 C ATOM 1415 NH1 ARG B 223 -1.230 -6.436 -27.623 1.00 63.24 N ATOM 1416 NH2 ARG B 223 0.973 -6.950 -28.029 1.00 54.12 N ATOM 0 H ARG B 223 -4.227 -11.638 -22.575 1.00 4.44 H new ATOM 0 HA ARG B 223 -2.498 -12.770 -24.598 1.00 30.40 H new ATOM 0 HB2 ARG B 223 -3.564 -10.905 -25.874 1.00 15.33 H new ATOM 0 HB3 ARG B 223 -3.240 -9.793 -24.559 1.00 15.33 H new ATOM 0 HG2 ARG B 223 -0.781 -10.099 -24.969 1.00 44.21 H new ATOM 0 HG3 ARG B 223 -1.170 -11.101 -26.352 1.00 44.21 H new ATOM 0 HD2 ARG B 223 -2.381 -9.256 -27.413 1.00 51.24 H new ATOM 0 HD3 ARG B 223 -2.166 -8.252 -25.992 1.00 51.24 H new ATOM 0 HE ARG B 223 0.361 -9.201 -27.143 1.00 42.42 H new ATOM 0 HH11 ARG B 223 -2.155 -6.708 -27.291 1.00 63.24 H new ATOM 0 HH12 ARG B 223 -1.073 -5.493 -27.979 1.00 63.24 H new ATOM 0 HH21 ARG B 223 1.744 -7.617 -28.010 1.00 54.12 H new ATOM 0 HH22 ARG B 223 1.124 -6.006 -28.384 1.00 54.12 H new ATOM 1430 N ILE B 224 -0.528 -11.757 -23.242 1.00 32.43 N ATOM 1431 CA ILE B 224 0.526 -11.303 -22.354 1.00 5.03 C ATOM 1432 C ILE B 224 0.970 -9.970 -22.929 1.00 2.32 C ATOM 1433 O ILE B 224 1.472 -9.917 -24.053 1.00 2.21 O ATOM 1434 CB ILE B 224 1.766 -12.263 -22.363 1.00 31.15 C ATOM 1435 CG1 ILE B 224 1.372 -13.737 -22.107 1.00 4.13 C ATOM 1436 CG2 ILE B 224 2.808 -11.803 -21.341 1.00 64.52 C ATOM 1437 CD1 ILE B 224 0.729 -14.015 -20.789 1.00 50.51 C ATOM 0 H ILE B 224 -0.194 -12.243 -24.074 1.00 32.43 H new ATOM 0 HA ILE B 224 0.159 -11.255 -21.329 1.00 5.03 H new ATOM 0 HB ILE B 224 2.200 -12.215 -23.362 1.00 31.15 H new ATOM 0 HG12 ILE B 224 0.691 -14.054 -22.897 1.00 4.13 H new ATOM 0 HG13 ILE B 224 2.267 -14.353 -22.191 1.00 4.13 H new ATOM 0 HG21 ILE B 224 3.661 -12.481 -21.361 1.00 64.52 H new ATOM 0 HG22 ILE B 224 3.140 -10.795 -21.588 1.00 64.52 H new ATOM 0 HG23 ILE B 224 2.366 -11.805 -20.345 1.00 64.52 H new ATOM 0 HD11 ILE B 224 0.495 -15.077 -20.715 1.00 50.51 H new ATOM 0 HD12 ILE B 224 1.411 -13.737 -19.986 1.00 50.51 H new ATOM 0 HD13 ILE B 224 -0.189 -13.434 -20.702 1.00 50.51 H new ATOM 1449 N LYS B 225 0.766 -8.902 -22.214 1.00 44.21 N ATOM 1450 CA LYS B 225 1.119 -7.612 -22.739 1.00 25.11 C ATOM 1451 C LYS B 225 1.804 -6.805 -21.684 1.00 52.13 C ATOM 1452 O LYS B 225 1.642 -7.082 -20.483 1.00 44.12 O ATOM 1453 CB LYS B 225 -0.091 -6.794 -23.319 1.00 14.34 C ATOM 1454 CG LYS B 225 -1.061 -6.130 -22.306 1.00 11.11 C ATOM 1455 CD LYS B 225 -2.292 -6.949 -21.924 1.00 2.01 C ATOM 1456 CE LYS B 225 -1.949 -8.234 -21.277 1.00 34.45 C ATOM 1457 NZ LYS B 225 -3.128 -8.959 -20.783 1.00 14.33 N ATOM 0 H LYS B 225 0.362 -8.895 -21.277 1.00 44.21 H new ATOM 0 HA LYS B 225 1.786 -7.807 -23.579 1.00 25.11 H new ATOM 0 HB2 LYS B 225 0.310 -6.011 -23.962 1.00 14.34 H new ATOM 0 HB3 LYS B 225 -0.674 -7.461 -23.954 1.00 14.34 H new ATOM 0 HG2 LYS B 225 -0.505 -5.901 -21.397 1.00 11.11 H new ATOM 0 HG3 LYS B 225 -1.396 -5.180 -22.723 1.00 11.11 H new ATOM 0 HD2 LYS B 225 -2.917 -6.364 -21.250 1.00 2.01 H new ATOM 0 HD3 LYS B 225 -2.884 -7.145 -22.818 1.00 2.01 H new ATOM 0 HE2 LYS B 225 -1.415 -8.862 -21.990 1.00 34.45 H new ATOM 0 HE3 LYS B 225 -1.270 -8.046 -20.446 1.00 34.45 H new ATOM 0 HZ1 LYS B 225 -2.826 -9.708 -20.128 1.00 14.33 H new ATOM 0 HZ2 LYS B 225 -3.759 -8.298 -20.286 1.00 14.33 H new ATOM 0 HZ3 LYS B 225 -3.635 -9.385 -21.585 1.00 14.33 H new ATOM 1471 N THR B 226 2.549 -5.834 -22.129 1.00 12.33 N ATOM 1472 CA THR B 226 3.257 -4.939 -21.282 1.00 13.01 C ATOM 1473 C THR B 226 2.795 -3.507 -21.473 1.00 33.41 C ATOM 1474 O THR B 226 2.654 -3.025 -22.609 1.00 14.11 O ATOM 1475 CB THR B 226 4.772 -5.028 -21.508 1.00 55.51 C ATOM 1476 OG1 THR B 226 5.055 -5.074 -22.920 1.00 73.30 O ATOM 1477 CG2 THR B 226 5.375 -6.223 -20.803 1.00 43.20 C ATOM 0 H THR B 226 2.679 -5.644 -23.123 1.00 12.33 H new ATOM 0 HA THR B 226 3.039 -5.241 -20.258 1.00 13.01 H new ATOM 0 HB THR B 226 5.230 -4.136 -21.080 1.00 55.51 H new ATOM 0 HG1 THR B 226 6.024 -5.129 -23.058 1.00 73.30 H new ATOM 0 HG21 THR B 226 6.449 -6.251 -20.988 1.00 43.20 H new ATOM 0 HG22 THR B 226 5.193 -6.143 -19.731 1.00 43.20 H new ATOM 0 HG23 THR B 226 4.918 -7.137 -21.182 1.00 43.20 H new ATOM 1485 N TYR B 227 2.526 -2.856 -20.380 1.00 12.34 N ATOM 1486 CA TYR B 227 2.178 -1.455 -20.380 1.00 22.34 C ATOM 1487 C TYR B 227 3.283 -0.680 -19.733 1.00 1.52 C ATOM 1488 O TYR B 227 3.882 -1.153 -18.762 1.00 14.21 O ATOM 1489 CB TYR B 227 0.871 -1.202 -19.619 1.00 13.43 C ATOM 1490 CG TYR B 227 -0.354 -1.769 -20.277 1.00 15.04 C ATOM 1491 CD1 TYR B 227 -0.995 -1.072 -21.288 1.00 61.34 C ATOM 1492 CD2 TYR B 227 -0.879 -2.995 -19.891 1.00 34.42 C ATOM 1493 CE1 TYR B 227 -2.119 -1.575 -21.899 1.00 23.24 C ATOM 1494 CE2 TYR B 227 -2.005 -3.508 -20.495 1.00 30.23 C ATOM 1495 CZ TYR B 227 -2.621 -2.791 -21.506 1.00 74.24 C ATOM 1496 OH TYR B 227 -3.748 -3.292 -22.124 1.00 60.11 O ATOM 0 H TYR B 227 2.540 -3.281 -19.453 1.00 12.34 H new ATOM 0 HA TYR B 227 2.037 -1.135 -21.412 1.00 22.34 H new ATOM 0 HB2 TYR B 227 0.960 -1.626 -18.619 1.00 13.43 H new ATOM 0 HB3 TYR B 227 0.738 -0.127 -19.498 1.00 13.43 H new ATOM 0 HD1 TYR B 227 -0.604 -0.115 -21.602 1.00 61.34 H new ATOM 0 HD2 TYR B 227 -0.396 -3.555 -19.104 1.00 34.42 H new ATOM 0 HE1 TYR B 227 -2.605 -1.016 -22.685 1.00 23.24 H new ATOM 0 HE2 TYR B 227 -2.404 -4.462 -20.183 1.00 30.23 H new ATOM 0 HH TYR B 227 -3.976 -4.161 -21.734 1.00 60.11 H new ATOM 1506 N THR B 228 3.574 0.472 -20.262 1.00 55.41 N ATOM 1507 CA THR B 228 4.558 1.327 -19.677 1.00 72.20 C ATOM 1508 C THR B 228 3.920 2.534 -19.052 1.00 51.31 C ATOM 1509 O THR B 228 3.234 3.310 -19.716 1.00 72.43 O ATOM 1510 CB THR B 228 5.653 1.757 -20.676 1.00 31.04 C ATOM 1511 OG1 THR B 228 5.080 2.061 -21.958 1.00 31.32 O ATOM 1512 CG2 THR B 228 6.760 0.722 -20.792 1.00 10.22 C ATOM 0 H THR B 228 3.137 0.842 -21.106 1.00 55.41 H new ATOM 0 HA THR B 228 5.048 0.740 -18.900 1.00 72.20 H new ATOM 0 HB THR B 228 6.114 2.665 -20.286 1.00 31.04 H new ATOM 0 HG1 THR B 228 5.789 2.333 -22.577 1.00 31.32 H new ATOM 0 HG21 THR B 228 7.508 1.068 -21.506 1.00 10.22 H new ATOM 0 HG22 THR B 228 7.227 0.578 -19.818 1.00 10.22 H new ATOM 0 HG23 THR B 228 6.340 -0.223 -21.136 1.00 10.22 H new ATOM 1520 N ILE B 229 4.145 2.684 -17.790 1.00 2.03 N ATOM 1521 CA ILE B 229 3.654 3.807 -17.064 1.00 45.00 C ATOM 1522 C ILE B 229 4.797 4.748 -16.874 1.00 34.22 C ATOM 1523 O ILE B 229 5.842 4.351 -16.473 1.00 31.21 O ATOM 1524 CB ILE B 229 3.142 3.390 -15.656 1.00 0.14 C ATOM 1525 CG1 ILE B 229 1.992 2.396 -15.767 1.00 53.31 C ATOM 1526 CG2 ILE B 229 2.708 4.623 -14.855 1.00 11.35 C ATOM 1527 CD1 ILE B 229 1.614 1.756 -14.474 1.00 62.14 C ATOM 0 H ILE B 229 4.681 2.023 -17.227 1.00 2.03 H new ATOM 0 HA ILE B 229 2.829 4.257 -17.616 1.00 45.00 H new ATOM 0 HB ILE B 229 3.962 2.903 -15.128 1.00 0.14 H new ATOM 0 HG12 ILE B 229 1.121 2.909 -16.175 1.00 53.31 H new ATOM 0 HG13 ILE B 229 2.266 1.618 -16.479 1.00 53.31 H new ATOM 0 HG21 ILE B 229 2.353 4.312 -13.873 1.00 11.35 H new ATOM 0 HG22 ILE B 229 3.556 5.298 -14.737 1.00 11.35 H new ATOM 0 HG23 ILE B 229 1.906 5.137 -15.385 1.00 11.35 H new ATOM 0 HD11 ILE B 229 0.789 1.063 -14.639 1.00 62.14 H new ATOM 0 HD12 ILE B 229 2.470 1.213 -14.073 1.00 62.14 H new ATOM 0 HD13 ILE B 229 1.307 2.524 -13.764 1.00 62.14 H new ATOM 1539 N THR B 230 4.596 5.943 -17.203 1.00 55.13 N ATOM 1540 CA THR B 230 5.554 6.976 -16.965 1.00 54.21 C ATOM 1541 C THR B 230 4.862 8.180 -16.399 1.00 44.04 C ATOM 1542 O THR B 230 4.416 9.059 -17.125 1.00 63.23 O ATOM 1543 CB THR B 230 6.509 7.316 -18.169 1.00 54.34 C ATOM 1544 OG1 THR B 230 5.777 7.585 -19.379 1.00 54.04 O ATOM 1545 CG2 THR B 230 7.504 6.186 -18.415 1.00 52.11 C ATOM 0 H THR B 230 3.743 6.265 -17.660 1.00 55.13 H new ATOM 0 HA THR B 230 6.253 6.582 -16.227 1.00 54.21 H new ATOM 0 HB THR B 230 7.052 8.219 -17.891 1.00 54.34 H new ATOM 0 HG1 THR B 230 5.011 8.162 -19.177 1.00 54.04 H new ATOM 0 HG21 THR B 230 8.151 6.447 -19.252 1.00 52.11 H new ATOM 0 HG22 THR B 230 8.110 6.034 -17.522 1.00 52.11 H new ATOM 0 HG23 THR B 230 6.963 5.269 -18.647 1.00 52.11 H new ATOM 1553 N GLU B 231 4.707 8.191 -15.104 1.00 11.43 N ATOM 1554 CA GLU B 231 3.973 9.245 -14.480 1.00 12.42 C ATOM 1555 C GLU B 231 4.937 10.146 -13.767 1.00 11.44 C ATOM 1556 O GLU B 231 5.772 9.670 -13.014 1.00 42.34 O ATOM 1557 CB GLU B 231 2.838 8.657 -13.583 1.00 52.11 C ATOM 1558 CG GLU B 231 3.215 7.994 -12.247 1.00 22.40 C ATOM 1559 CD GLU B 231 3.361 8.989 -11.074 1.00 73.23 C ATOM 1560 OE1 GLU B 231 2.307 9.417 -10.547 1.00 63.31 O ATOM 1561 OE2 GLU B 231 4.471 9.285 -10.632 1.00 40.53 O ATOM 0 H GLU B 231 5.078 7.485 -14.468 1.00 11.43 H new ATOM 0 HA GLU B 231 3.457 9.862 -15.216 1.00 12.42 H new ATOM 0 HB2 GLU B 231 2.139 9.464 -13.365 1.00 52.11 H new ATOM 0 HB3 GLU B 231 2.298 7.919 -14.176 1.00 52.11 H new ATOM 0 HG2 GLU B 231 2.455 7.256 -11.992 1.00 22.40 H new ATOM 0 HG3 GLU B 231 4.154 7.455 -12.372 1.00 22.40 H new ATOM 1568 N GLY B 232 4.859 11.436 -14.064 1.00 44.11 N ATOM 1569 CA GLY B 232 5.788 12.408 -13.511 1.00 21.13 C ATOM 1570 C GLY B 232 7.217 12.118 -13.934 1.00 52.13 C ATOM 1571 O GLY B 232 7.709 12.636 -14.944 1.00 72.13 O ATOM 0 H GLY B 232 4.157 11.834 -14.688 1.00 44.11 H new ATOM 0 HA2 GLY B 232 5.507 13.409 -13.839 1.00 21.13 H new ATOM 0 HA3 GLY B 232 5.721 12.399 -12.423 1.00 21.13 H new ATOM 1575 N SER B 233 7.874 11.305 -13.164 1.00 11.15 N ATOM 1576 CA SER B 233 9.191 10.835 -13.438 1.00 24.42 C ATOM 1577 C SER B 233 9.342 9.446 -12.831 1.00 10.43 C ATOM 1578 O SER B 233 9.955 9.267 -11.784 1.00 32.34 O ATOM 1579 CB SER B 233 10.249 11.807 -12.916 1.00 24.21 C ATOM 1580 OG SER B 233 10.110 13.081 -13.555 1.00 5.42 O ATOM 0 H SER B 233 7.489 10.938 -12.294 1.00 11.15 H new ATOM 0 HA SER B 233 9.345 10.773 -14.515 1.00 24.42 H new ATOM 0 HB2 SER B 233 10.148 11.921 -11.837 1.00 24.21 H new ATOM 0 HB3 SER B 233 11.245 11.406 -13.102 1.00 24.21 H new ATOM 0 HG SER B 233 10.792 13.695 -13.211 1.00 5.42 H new ATOM 1586 N LEU B 234 8.677 8.496 -13.445 1.00 63.24 N ATOM 1587 CA LEU B 234 8.646 7.129 -12.983 1.00 53.00 C ATOM 1588 C LEU B 234 8.227 6.233 -14.141 1.00 63.24 C ATOM 1589 O LEU B 234 7.265 6.534 -14.800 1.00 53.42 O ATOM 1590 CB LEU B 234 7.641 7.063 -11.772 1.00 42.34 C ATOM 1591 CG LEU B 234 7.319 5.710 -11.089 1.00 64.41 C ATOM 1592 CD1 LEU B 234 6.383 4.851 -11.943 1.00 72.54 C ATOM 1593 CD2 LEU B 234 8.606 4.952 -10.748 1.00 70.34 C ATOM 0 H LEU B 234 8.133 8.654 -14.294 1.00 63.24 H new ATOM 0 HA LEU B 234 9.622 6.782 -12.642 1.00 53.00 H new ATOM 0 HB2 LEU B 234 8.024 7.730 -11.000 1.00 42.34 H new ATOM 0 HB3 LEU B 234 6.696 7.483 -12.116 1.00 42.34 H new ATOM 0 HG LEU B 234 6.796 5.929 -10.158 1.00 64.41 H new ATOM 0 HD11 LEU B 234 6.182 3.911 -11.429 1.00 72.54 H new ATOM 0 HD12 LEU B 234 5.446 5.384 -12.105 1.00 72.54 H new ATOM 0 HD13 LEU B 234 6.854 4.645 -12.904 1.00 72.54 H new ATOM 0 HD21 LEU B 234 8.355 4.005 -10.269 1.00 70.34 H new ATOM 0 HD22 LEU B 234 9.167 4.759 -11.662 1.00 70.34 H new ATOM 0 HD23 LEU B 234 9.213 5.552 -10.070 1.00 70.34 H new ATOM 1605 N ARG B 235 8.956 5.156 -14.384 1.00 72.43 N ATOM 1606 CA ARG B 235 8.601 4.193 -15.427 1.00 40.51 C ATOM 1607 C ARG B 235 8.037 2.988 -14.751 1.00 25.25 C ATOM 1608 O ARG B 235 8.457 2.649 -13.672 1.00 14.12 O ATOM 1609 CB ARG B 235 9.820 3.671 -16.177 1.00 4.21 C ATOM 1610 CG ARG B 235 10.708 4.649 -16.892 1.00 11.11 C ATOM 1611 CD ARG B 235 11.848 3.846 -17.503 1.00 11.40 C ATOM 1612 NE ARG B 235 12.931 4.638 -18.085 1.00 13.11 N ATOM 1613 CZ ARG B 235 13.853 4.119 -18.926 1.00 44.32 C ATOM 1614 NH1 ARG B 235 13.681 2.899 -19.422 1.00 71.21 N ATOM 1615 NH2 ARG B 235 14.922 4.823 -19.272 1.00 10.21 N ATOM 0 H ARG B 235 9.806 4.921 -13.871 1.00 72.43 H new ATOM 0 HA ARG B 235 7.922 4.696 -16.115 1.00 40.51 H new ATOM 0 HB2 ARG B 235 10.438 3.127 -15.463 1.00 4.21 H new ATOM 0 HB3 ARG B 235 9.469 2.947 -16.912 1.00 4.21 H new ATOM 0 HG2 ARG B 235 10.153 5.181 -17.665 1.00 11.11 H new ATOM 0 HG3 ARG B 235 11.091 5.399 -16.201 1.00 11.11 H new ATOM 0 HD2 ARG B 235 12.267 3.198 -16.733 1.00 11.40 H new ATOM 0 HD3 ARG B 235 11.439 3.197 -18.277 1.00 11.40 H new ATOM 0 HE ARG B 235 12.993 5.627 -17.845 1.00 13.11 H new ATOM 0 HH11 ARG B 235 12.855 2.357 -19.168 1.00 71.21 H new ATOM 0 HH12 ARG B 235 14.375 2.504 -20.057 1.00 71.21 H new ATOM 0 HH21 ARG B 235 15.054 5.765 -18.903 1.00 10.21 H new ATOM 0 HH22 ARG B 235 15.612 4.423 -19.907 1.00 10.21 H new ATOM 1629 N CYS B 236 7.079 2.382 -15.329 1.00 53.21 N ATOM 1630 CA CYS B 236 6.615 1.150 -14.823 1.00 0.13 C ATOM 1631 C CYS B 236 6.284 0.233 -15.979 1.00 51.41 C ATOM 1632 O CYS B 236 5.790 0.695 -16.994 1.00 24.34 O ATOM 1633 CB CYS B 236 5.427 1.349 -13.929 1.00 65.03 C ATOM 1634 SG CYS B 236 5.414 0.149 -12.539 1.00 64.24 S ATOM 0 H CYS B 236 6.595 2.720 -16.161 1.00 53.21 H new ATOM 0 HA CYS B 236 7.397 0.691 -14.218 1.00 0.13 H new ATOM 0 HB2 CYS B 236 5.436 2.364 -13.533 1.00 65.03 H new ATOM 0 HB3 CYS B 236 4.512 1.242 -14.511 1.00 65.03 H new ATOM 1639 N VAL B 237 6.577 -1.029 -15.850 1.00 14.34 N ATOM 1640 CA VAL B 237 6.273 -1.991 -16.884 1.00 53.44 C ATOM 1641 C VAL B 237 5.395 -3.049 -16.276 1.00 52.41 C ATOM 1642 O VAL B 237 5.700 -3.572 -15.208 1.00 63.41 O ATOM 1643 CB VAL B 237 7.548 -2.651 -17.484 1.00 13.14 C ATOM 1644 CG1 VAL B 237 7.185 -3.543 -18.661 1.00 15.32 C ATOM 1645 CG2 VAL B 237 8.569 -1.600 -17.892 1.00 2.44 C ATOM 0 H VAL B 237 7.033 -1.425 -15.028 1.00 14.34 H new ATOM 0 HA VAL B 237 5.775 -1.475 -17.705 1.00 53.44 H new ATOM 0 HB VAL B 237 8.003 -3.272 -16.712 1.00 13.14 H new ATOM 0 HG11 VAL B 237 8.090 -3.996 -19.067 1.00 15.32 H new ATOM 0 HG12 VAL B 237 6.505 -4.327 -18.327 1.00 15.32 H new ATOM 0 HG13 VAL B 237 6.699 -2.947 -19.433 1.00 15.32 H new ATOM 0 HG21 VAL B 237 9.449 -2.090 -18.308 1.00 2.44 H new ATOM 0 HG22 VAL B 237 8.132 -0.941 -18.642 1.00 2.44 H new ATOM 0 HG23 VAL B 237 8.858 -1.015 -17.019 1.00 2.44 H new ATOM 1655 N ILE B 238 4.322 -3.346 -16.929 1.00 4.43 N ATOM 1656 CA ILE B 238 3.350 -4.272 -16.412 1.00 13.23 C ATOM 1657 C ILE B 238 3.264 -5.468 -17.312 1.00 4.52 C ATOM 1658 O ILE B 238 2.922 -5.341 -18.471 1.00 52.13 O ATOM 1659 CB ILE B 238 1.970 -3.595 -16.406 1.00 22.44 C ATOM 1660 CG1 ILE B 238 2.052 -2.270 -15.662 1.00 24.42 C ATOM 1661 CG2 ILE B 238 0.925 -4.511 -15.754 1.00 3.23 C ATOM 1662 CD1 ILE B 238 0.819 -1.437 -15.786 1.00 51.41 C ATOM 0 H ILE B 238 4.086 -2.956 -17.841 1.00 4.43 H new ATOM 0 HA ILE B 238 3.644 -4.573 -15.407 1.00 13.23 H new ATOM 0 HB ILE B 238 1.664 -3.407 -17.435 1.00 22.44 H new ATOM 0 HG12 ILE B 238 2.243 -2.467 -14.607 1.00 24.42 H new ATOM 0 HG13 ILE B 238 2.903 -1.703 -16.040 1.00 24.42 H new ATOM 0 HG21 ILE B 238 -0.046 -4.016 -15.758 1.00 3.23 H new ATOM 0 HG22 ILE B 238 0.859 -5.444 -16.314 1.00 3.23 H new ATOM 0 HG23 ILE B 238 1.219 -4.725 -14.726 1.00 3.23 H new ATOM 0 HD11 ILE B 238 0.950 -0.508 -15.231 1.00 51.41 H new ATOM 0 HD12 ILE B 238 0.638 -1.209 -16.836 1.00 51.41 H new ATOM 0 HD13 ILE B 238 -0.032 -1.985 -15.382 1.00 51.41 H new ATOM 1674 N PHE B 239 3.579 -6.599 -16.777 1.00 43.24 N ATOM 1675 CA PHE B 239 3.460 -7.848 -17.453 1.00 34.14 C ATOM 1676 C PHE B 239 2.224 -8.546 -16.973 1.00 51.33 C ATOM 1677 O PHE B 239 2.184 -9.031 -15.832 1.00 10.43 O ATOM 1678 CB PHE B 239 4.654 -8.743 -17.156 1.00 71.44 C ATOM 1679 CG PHE B 239 5.895 -8.416 -17.899 1.00 21.41 C ATOM 1680 CD1 PHE B 239 6.738 -7.407 -17.481 1.00 43.34 C ATOM 1681 CD2 PHE B 239 6.220 -9.141 -19.033 1.00 51.33 C ATOM 1682 CE1 PHE B 239 7.894 -7.125 -18.194 1.00 64.23 C ATOM 1683 CE2 PHE B 239 7.359 -8.875 -19.745 1.00 25.21 C ATOM 1684 CZ PHE B 239 8.206 -7.862 -19.332 1.00 74.42 C ATOM 0 H PHE B 239 3.938 -6.683 -15.826 1.00 43.24 H new ATOM 0 HA PHE B 239 3.413 -7.656 -18.525 1.00 34.14 H new ATOM 0 HB2 PHE B 239 4.867 -8.694 -16.088 1.00 71.44 H new ATOM 0 HB3 PHE B 239 4.378 -9.774 -17.379 1.00 71.44 H new ATOM 0 HD1 PHE B 239 6.497 -6.835 -16.597 1.00 43.34 H new ATOM 0 HD2 PHE B 239 5.562 -9.932 -19.362 1.00 51.33 H new ATOM 0 HE1 PHE B 239 8.552 -6.334 -17.866 1.00 64.23 H new ATOM 0 HE2 PHE B 239 7.595 -9.454 -20.626 1.00 25.21 H new ATOM 0 HZ PHE B 239 9.105 -7.644 -19.890 1.00 74.42 H new ATOM 1694 N ILE B 240 1.203 -8.586 -17.785 1.00 13.20 N ATOM 1695 CA ILE B 240 0.021 -9.292 -17.374 1.00 4.21 C ATOM 1696 C ILE B 240 0.121 -10.654 -17.974 1.00 4.43 C ATOM 1697 O ILE B 240 0.142 -10.774 -19.210 1.00 43.15 O ATOM 1698 CB ILE B 240 -1.276 -8.652 -17.921 1.00 62.33 C ATOM 1699 CG1 ILE B 240 -1.217 -7.132 -17.846 1.00 25.22 C ATOM 1700 CG2 ILE B 240 -2.497 -9.193 -17.188 1.00 12.03 C ATOM 1701 CD1 ILE B 240 -2.516 -6.439 -18.199 1.00 54.42 C ATOM 0 H ILE B 240 1.163 -8.153 -18.707 1.00 13.20 H new ATOM 0 HA ILE B 240 -0.032 -9.284 -16.285 1.00 4.21 H new ATOM 0 HB ILE B 240 -1.366 -8.924 -18.973 1.00 62.33 H new ATOM 0 HG12 ILE B 240 -0.926 -6.841 -16.837 1.00 25.22 H new ATOM 0 HG13 ILE B 240 -0.435 -6.777 -18.518 1.00 25.22 H new ATOM 0 HG21 ILE B 240 -3.398 -8.729 -17.590 1.00 12.03 H new ATOM 0 HG22 ILE B 240 -2.554 -10.273 -17.324 1.00 12.03 H new ATOM 0 HG23 ILE B 240 -2.414 -8.965 -16.125 1.00 12.03 H new ATOM 0 HD11 ILE B 240 -2.386 -5.360 -18.120 1.00 54.42 H new ATOM 0 HD12 ILE B 240 -2.800 -6.696 -19.219 1.00 54.42 H new ATOM 0 HD13 ILE B 240 -3.299 -6.761 -17.512 1.00 54.42 H new ATOM 1713 N THR B 241 0.186 -11.666 -17.160 1.00 12.14 N ATOM 1714 CA THR B 241 0.298 -12.979 -17.690 1.00 2.42 C ATOM 1715 C THR B 241 -0.916 -13.793 -17.304 1.00 61.20 C ATOM 1716 O THR B 241 -1.759 -13.324 -16.549 1.00 72.34 O ATOM 1717 CB THR B 241 1.599 -13.700 -17.264 1.00 13.11 C ATOM 1718 OG1 THR B 241 1.614 -13.916 -15.847 1.00 63.51 O ATOM 1719 CG2 THR B 241 2.835 -12.894 -17.650 1.00 22.12 C ATOM 0 H THR B 241 0.163 -11.603 -16.142 1.00 12.14 H new ATOM 0 HA THR B 241 0.347 -12.883 -18.775 1.00 2.42 H new ATOM 0 HB THR B 241 1.622 -14.657 -17.786 1.00 13.11 H new ATOM 0 HG1 THR B 241 1.051 -13.244 -15.408 1.00 63.51 H new ATOM 0 HG21 THR B 241 3.731 -13.429 -17.336 1.00 22.12 H new ATOM 0 HG22 THR B 241 2.856 -12.755 -18.731 1.00 22.12 H new ATOM 0 HG23 THR B 241 2.803 -11.921 -17.159 1.00 22.12 H new ATOM 1727 N LYS B 242 -1.005 -15.009 -17.808 1.00 62.13 N ATOM 1728 CA LYS B 242 -2.169 -15.842 -17.538 1.00 24.34 C ATOM 1729 C LYS B 242 -2.111 -16.603 -16.205 1.00 74.34 C ATOM 1730 O LYS B 242 -3.016 -17.362 -15.879 1.00 24.05 O ATOM 1731 CB LYS B 242 -2.571 -16.722 -18.761 1.00 63.55 C ATOM 1732 CG LYS B 242 -1.487 -17.577 -19.418 1.00 21.33 C ATOM 1733 CD LYS B 242 -0.979 -18.680 -18.517 1.00 51.24 C ATOM 1734 CE LYS B 242 0.009 -19.568 -19.265 1.00 40.24 C ATOM 1735 NZ LYS B 242 0.535 -20.660 -18.428 1.00 12.33 N ATOM 0 H LYS B 242 -0.296 -15.441 -18.400 1.00 62.13 H new ATOM 0 HA LYS B 242 -2.995 -15.146 -17.393 1.00 24.34 H new ATOM 0 HB2 LYS B 242 -3.374 -17.387 -18.444 1.00 63.55 H new ATOM 0 HB3 LYS B 242 -2.985 -16.063 -19.524 1.00 63.55 H new ATOM 0 HG2 LYS B 242 -1.883 -18.016 -20.333 1.00 21.33 H new ATOM 0 HG3 LYS B 242 -0.653 -16.938 -19.707 1.00 21.33 H new ATOM 0 HD2 LYS B 242 -0.497 -18.248 -17.640 1.00 51.24 H new ATOM 0 HD3 LYS B 242 -1.816 -19.279 -18.158 1.00 51.24 H new ATOM 0 HE2 LYS B 242 -0.480 -19.991 -20.142 1.00 40.24 H new ATOM 0 HE3 LYS B 242 0.838 -18.959 -19.625 1.00 40.24 H new ATOM 0 HZ1 LYS B 242 1.201 -21.233 -18.984 1.00 12.33 H new ATOM 0 HZ2 LYS B 242 1.027 -20.260 -17.604 1.00 12.33 H new ATOM 0 HZ3 LYS B 242 -0.251 -21.259 -18.105 1.00 12.33 H new ATOM 1749 N ARG B 243 -1.046 -16.384 -15.441 1.00 72.11 N ATOM 1750 CA ARG B 243 -0.922 -16.974 -14.105 1.00 63.04 C ATOM 1751 C ARG B 243 -0.371 -15.999 -13.089 1.00 62.24 C ATOM 1752 O ARG B 243 -0.139 -16.367 -11.935 1.00 43.51 O ATOM 1753 CB ARG B 243 -0.048 -18.210 -14.093 1.00 53.05 C ATOM 1754 CG ARG B 243 -0.655 -19.425 -14.730 1.00 31.42 C ATOM 1755 CD ARG B 243 0.279 -20.585 -14.576 1.00 35.40 C ATOM 1756 NE ARG B 243 0.535 -20.907 -13.167 1.00 61.43 N ATOM 1757 CZ ARG B 243 1.693 -21.367 -12.685 1.00 21.25 C ATOM 1758 NH1 ARG B 243 2.740 -21.536 -13.491 1.00 40.00 N ATOM 1759 NH2 ARG B 243 1.801 -21.649 -11.398 1.00 42.35 N ATOM 0 H ARG B 243 -0.255 -15.804 -15.720 1.00 72.11 H new ATOM 0 HA ARG B 243 -1.940 -17.248 -13.830 1.00 63.04 H new ATOM 0 HB2 ARG B 243 0.887 -17.980 -14.604 1.00 53.05 H new ATOM 0 HB3 ARG B 243 0.204 -18.448 -13.060 1.00 53.05 H new ATOM 0 HG2 ARG B 243 -1.614 -19.652 -14.265 1.00 31.42 H new ATOM 0 HG3 ARG B 243 -0.849 -19.237 -15.786 1.00 31.42 H new ATOM 0 HD2 ARG B 243 -0.142 -21.457 -15.076 1.00 35.40 H new ATOM 0 HD3 ARG B 243 1.223 -20.358 -15.072 1.00 35.40 H new ATOM 0 HE ARG B 243 -0.229 -20.769 -12.506 1.00 61.43 H new ATOM 0 HH11 ARG B 243 2.661 -21.314 -14.483 1.00 40.00 H new ATOM 0 HH12 ARG B 243 3.621 -21.888 -13.116 1.00 40.00 H new ATOM 0 HH21 ARG B 243 1.002 -21.515 -10.778 1.00 42.35 H new ATOM 0 HH22 ARG B 243 2.683 -22.000 -11.025 1.00 42.35 H new ATOM 1773 N GLY B 244 -0.161 -14.767 -13.481 1.00 61.34 N ATOM 1774 CA GLY B 244 0.419 -13.842 -12.551 1.00 13.24 C ATOM 1775 C GLY B 244 0.607 -12.468 -13.104 1.00 41.11 C ATOM 1776 O GLY B 244 0.341 -12.214 -14.289 1.00 73.33 O ATOM 0 H GLY B 244 -0.375 -14.394 -14.406 1.00 61.34 H new ATOM 0 HA2 GLY B 244 -0.216 -13.784 -11.667 1.00 13.24 H new ATOM 0 HA3 GLY B 244 1.385 -14.227 -12.225 1.00 13.24 H new ATOM 1780 N LEU B 245 1.080 -11.587 -12.265 1.00 0.54 N ATOM 1781 CA LEU B 245 1.289 -10.223 -12.621 1.00 43.12 C ATOM 1782 C LEU B 245 2.650 -9.794 -12.213 1.00 72.05 C ATOM 1783 O LEU B 245 3.064 -9.951 -11.054 1.00 64.31 O ATOM 1784 CB LEU B 245 0.262 -9.344 -11.943 1.00 41.22 C ATOM 1785 CG LEU B 245 -1.166 -9.690 -12.274 1.00 71.05 C ATOM 1786 CD1 LEU B 245 -2.127 -8.946 -11.377 1.00 62.21 C ATOM 1787 CD2 LEU B 245 -1.460 -9.391 -13.731 1.00 23.33 C ATOM 0 H LEU B 245 1.333 -11.807 -11.302 1.00 0.54 H new ATOM 0 HA LEU B 245 1.188 -10.127 -13.702 1.00 43.12 H new ATOM 0 HB2 LEU B 245 0.399 -9.412 -10.864 1.00 41.22 H new ATOM 0 HB3 LEU B 245 0.447 -8.307 -12.224 1.00 41.22 H new ATOM 0 HG LEU B 245 -1.303 -10.758 -12.103 1.00 71.05 H new ATOM 0 HD11 LEU B 245 -3.151 -9.215 -11.638 1.00 62.21 H new ATOM 0 HD12 LEU B 245 -1.936 -9.213 -10.338 1.00 62.21 H new ATOM 0 HD13 LEU B 245 -1.989 -7.873 -11.507 1.00 62.21 H new ATOM 0 HD21 LEU B 245 -2.496 -9.647 -13.953 1.00 23.33 H new ATOM 0 HD22 LEU B 245 -1.299 -8.331 -13.925 1.00 23.33 H new ATOM 0 HD23 LEU B 245 -0.797 -9.980 -14.364 1.00 23.33 H new ATOM 1799 N LYS B 246 3.330 -9.284 -13.137 1.00 51.52 N ATOM 1800 CA LYS B 246 4.626 -8.752 -12.926 1.00 71.21 C ATOM 1801 C LYS B 246 4.611 -7.271 -13.182 1.00 71.21 C ATOM 1802 O LYS B 246 4.251 -6.822 -14.249 1.00 13.11 O ATOM 1803 CB LYS B 246 5.679 -9.458 -13.793 1.00 25.20 C ATOM 1804 CG LYS B 246 6.962 -8.662 -13.928 1.00 73.03 C ATOM 1805 CD LYS B 246 7.963 -9.329 -14.826 1.00 70.30 C ATOM 1806 CE LYS B 246 9.097 -8.369 -15.100 1.00 23.23 C ATOM 1807 NZ LYS B 246 10.200 -8.979 -15.860 1.00 32.00 N ATOM 0 H LYS B 246 3.005 -9.214 -14.101 1.00 51.52 H new ATOM 0 HA LYS B 246 4.907 -8.928 -11.888 1.00 71.21 H new ATOM 0 HB2 LYS B 246 5.906 -10.432 -13.359 1.00 25.20 H new ATOM 0 HB3 LYS B 246 5.264 -9.639 -14.784 1.00 25.20 H new ATOM 0 HG2 LYS B 246 6.731 -7.671 -14.320 1.00 73.03 H new ATOM 0 HG3 LYS B 246 7.403 -8.520 -12.941 1.00 73.03 H new ATOM 0 HD2 LYS B 246 8.343 -10.236 -14.357 1.00 70.30 H new ATOM 0 HD3 LYS B 246 7.489 -9.628 -15.761 1.00 70.30 H new ATOM 0 HE2 LYS B 246 8.713 -7.512 -15.653 1.00 23.23 H new ATOM 0 HE3 LYS B 246 9.482 -7.991 -14.153 1.00 23.23 H new ATOM 0 HZ1 LYS B 246 10.947 -8.272 -16.016 1.00 32.00 H new ATOM 0 HZ2 LYS B 246 10.589 -9.781 -15.324 1.00 32.00 H new ATOM 0 HZ3 LYS B 246 9.845 -9.316 -16.778 1.00 32.00 H new ATOM 1821 N VAL B 247 4.990 -6.534 -12.215 1.00 10.22 N ATOM 1822 CA VAL B 247 5.020 -5.102 -12.341 1.00 53.22 C ATOM 1823 C VAL B 247 6.407 -4.597 -11.980 1.00 30.23 C ATOM 1824 O VAL B 247 7.026 -5.055 -11.021 1.00 22.11 O ATOM 1825 CB VAL B 247 3.900 -4.427 -11.500 1.00 74.41 C ATOM 1826 CG1 VAL B 247 4.074 -4.665 -10.009 1.00 2.11 C ATOM 1827 CG2 VAL B 247 3.786 -2.955 -11.819 1.00 43.25 C ATOM 0 H VAL B 247 5.291 -6.888 -11.307 1.00 10.22 H new ATOM 0 HA VAL B 247 4.815 -4.828 -13.376 1.00 53.22 H new ATOM 0 HB VAL B 247 2.961 -4.902 -11.783 1.00 74.41 H new ATOM 0 HG11 VAL B 247 3.267 -4.174 -9.465 1.00 2.11 H new ATOM 0 HG12 VAL B 247 4.049 -5.736 -9.806 1.00 2.11 H new ATOM 0 HG13 VAL B 247 5.031 -4.257 -9.685 1.00 2.11 H new ATOM 0 HG21 VAL B 247 2.994 -2.512 -11.215 1.00 43.25 H new ATOM 0 HG22 VAL B 247 4.732 -2.460 -11.597 1.00 43.25 H new ATOM 0 HG23 VAL B 247 3.550 -2.829 -12.876 1.00 43.25 H new ATOM 1837 N CYS B 248 6.914 -3.712 -12.757 1.00 11.55 N ATOM 1838 CA CYS B 248 8.245 -3.270 -12.549 1.00 21.25 C ATOM 1839 C CYS B 248 8.340 -1.774 -12.683 1.00 41.50 C ATOM 1840 O CYS B 248 8.326 -1.247 -13.793 1.00 42.31 O ATOM 1841 CB CYS B 248 9.137 -3.948 -13.576 1.00 12.41 C ATOM 1842 SG CYS B 248 10.912 -3.724 -13.325 1.00 34.22 S ATOM 0 H CYS B 248 6.429 -3.279 -13.543 1.00 11.55 H new ATOM 0 HA CYS B 248 8.565 -3.531 -11.540 1.00 21.25 H new ATOM 0 HB2 CYS B 248 8.918 -5.016 -13.574 1.00 12.41 H new ATOM 0 HB3 CYS B 248 8.876 -3.571 -14.565 1.00 12.41 H new ATOM 1847 N CYS B 249 8.383 -1.089 -11.574 1.00 3.53 N ATOM 1848 CA CYS B 249 8.553 0.337 -11.606 1.00 70.34 C ATOM 1849 C CYS B 249 10.025 0.718 -11.465 1.00 54.24 C ATOM 1850 O CYS B 249 10.749 0.200 -10.610 1.00 1.35 O ATOM 1851 CB CYS B 249 7.692 1.074 -10.560 1.00 1.22 C ATOM 1852 SG CYS B 249 5.869 1.242 -10.883 1.00 24.04 S ATOM 0 H CYS B 249 8.303 -1.493 -10.641 1.00 3.53 H new ATOM 0 HA CYS B 249 8.199 0.664 -12.584 1.00 70.34 H new ATOM 0 HB2 CYS B 249 7.815 0.561 -9.606 1.00 1.22 H new ATOM 0 HB3 CYS B 249 8.102 2.076 -10.438 1.00 1.22 H new ATOM 1857 N ASP B 250 10.435 1.620 -12.304 1.00 10.40 N ATOM 1858 CA ASP B 250 11.774 2.143 -12.358 1.00 12.11 C ATOM 1859 C ASP B 250 11.654 3.652 -12.373 1.00 65.33 C ATOM 1860 O ASP B 250 11.110 4.207 -13.292 1.00 41.00 O ATOM 1861 CB ASP B 250 12.464 1.675 -13.636 1.00 24.24 C ATOM 1862 CG ASP B 250 13.889 2.147 -13.734 1.00 41.44 C ATOM 1863 OD1 ASP B 250 14.120 3.295 -14.191 1.00 12.53 O ATOM 1864 OD2 ASP B 250 14.798 1.372 -13.373 1.00 34.42 O ATOM 0 H ASP B 250 9.819 2.033 -13.004 1.00 10.40 H new ATOM 0 HA ASP B 250 12.361 1.800 -11.506 1.00 12.11 H new ATOM 0 HB2 ASP B 250 12.443 0.586 -13.677 1.00 24.24 H new ATOM 0 HB3 ASP B 250 11.906 2.038 -14.499 1.00 24.24 H new ATOM 1869 N PRO B 251 12.143 4.331 -11.362 1.00 11.43 N ATOM 1870 CA PRO B 251 11.947 5.783 -11.202 1.00 24.14 C ATOM 1871 C PRO B 251 12.717 6.655 -12.207 1.00 4.22 C ATOM 1872 O PRO B 251 12.569 7.878 -12.194 1.00 71.31 O ATOM 1873 CB PRO B 251 12.442 6.029 -9.790 1.00 33.23 C ATOM 1874 CG PRO B 251 13.470 4.991 -9.600 1.00 22.15 C ATOM 1875 CD PRO B 251 12.942 3.771 -10.283 1.00 72.20 C ATOM 0 HA PRO B 251 10.909 6.059 -11.385 1.00 24.14 H new ATOM 0 HB2 PRO B 251 12.858 7.031 -9.679 1.00 33.23 H new ATOM 0 HB3 PRO B 251 11.637 5.935 -9.061 1.00 33.23 H new ATOM 0 HG2 PRO B 251 14.423 5.300 -10.031 1.00 22.15 H new ATOM 0 HG3 PRO B 251 13.645 4.802 -8.541 1.00 22.15 H new ATOM 0 HD2 PRO B 251 13.745 3.138 -10.660 1.00 72.20 H new ATOM 0 HD3 PRO B 251 12.342 3.158 -9.611 1.00 72.20 H new