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 16 THR OG1 : rot -85:sc= 1.22 USER MOD Set 1.2: A 17 GLN : amide:sc= 1.05 K(o=2.3,f=-1.3) USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.187 USER MOD Single : A 13 SER OG : rot 38:sc= 0.124 USER MOD Single : A 15 THR OG1 : rot 25:sc= 0.0384 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -2.39! (180deg=-2.65) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 47:sc= 0.374 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -31:sc= 1.24 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 210 THR OG1 : rot 33:sc= 0.208 USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.74) USER MOD Single : B 222 SER OG : rot -120:sc= -0.961 USER MOD Single : B 225 LYS NZ :NH3+ 176:sc= -1.91 (180deg=-2.08) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= -0.322 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 43:sc= 0.216 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -34:sc= 1.24 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 -9.142 -10.661 -6.554 1.00 12.50 N ATOM 138 CA THR A 10 -7.947 -10.681 -5.776 1.00 41.11 C ATOM 139 C THR A 10 -7.088 -9.485 -6.157 1.00 42.22 C ATOM 140 O THR A 10 -6.890 -9.209 -7.351 1.00 4.13 O ATOM 141 CB THR A 10 -7.157 -11.976 -6.064 1.00 45.20 C ATOM 142 OG1 THR A 10 -8.020 -13.122 -5.898 1.00 34.22 O ATOM 143 CG2 THR A 10 -5.966 -12.114 -5.122 1.00 1.12 C ATOM 0 HA THR A 10 -8.204 -10.640 -4.718 1.00 41.11 H new ATOM 0 HB THR A 10 -6.791 -11.925 -7.089 1.00 45.20 H new ATOM 0 HG1 THR A 10 -8.924 -12.897 -6.202 1.00 34.22 H new ATOM 0 HG21 THR A 10 -5.428 -13.035 -5.348 1.00 1.12 H new ATOM 0 HG22 THR A 10 -5.298 -11.262 -5.253 1.00 1.12 H new ATOM 0 HG23 THR A 10 -6.319 -12.143 -4.091 1.00 1.12 H new ATOM 151 N CYS A 11 -6.585 -8.777 -5.179 1.00 24.30 N ATOM 152 CA CYS A 11 -5.713 -7.684 -5.467 1.00 22.41 C ATOM 153 C CYS A 11 -4.410 -7.993 -4.789 1.00 61.54 C ATOM 154 O CYS A 11 -4.403 -8.560 -3.698 1.00 44.32 O ATOM 155 CB CYS A 11 -6.256 -6.356 -4.896 1.00 30.34 C ATOM 156 SG CYS A 11 -8.036 -5.992 -5.219 1.00 23.01 S ATOM 0 H CYS A 11 -6.766 -8.940 -4.188 1.00 24.30 H new ATOM 0 HA CYS A 11 -5.613 -7.566 -6.546 1.00 22.41 H new ATOM 0 HB2 CYS A 11 -6.098 -6.358 -3.818 1.00 30.34 H new ATOM 0 HB3 CYS A 11 -5.661 -5.539 -5.304 1.00 30.34 H new ATOM 161 N VAL A 12 -3.324 -7.645 -5.404 1.00 14.50 N ATOM 162 CA VAL A 12 -2.035 -7.891 -4.824 1.00 20.32 C ATOM 163 C VAL A 12 -1.176 -6.644 -4.900 1.00 2.14 C ATOM 164 O VAL A 12 -1.130 -5.960 -5.931 1.00 31.14 O ATOM 165 CB VAL A 12 -1.304 -9.156 -5.426 1.00 11.24 C ATOM 166 CG1 VAL A 12 -2.060 -10.441 -5.094 1.00 53.11 C ATOM 167 CG2 VAL A 12 -1.096 -9.053 -6.940 1.00 65.41 C ATOM 0 H VAL A 12 -3.301 -7.186 -6.315 1.00 14.50 H new ATOM 0 HA VAL A 12 -2.199 -8.134 -3.774 1.00 20.32 H new ATOM 0 HB VAL A 12 -0.320 -9.188 -4.959 1.00 11.24 H new ATOM 0 HG11 VAL A 12 -1.533 -11.294 -5.521 1.00 53.11 H new ATOM 0 HG12 VAL A 12 -2.122 -10.558 -4.012 1.00 53.11 H new ATOM 0 HG13 VAL A 12 -3.066 -10.390 -5.511 1.00 53.11 H new ATOM 0 HG21 VAL A 12 -0.590 -9.949 -7.299 1.00 65.41 H new ATOM 0 HG22 VAL A 12 -2.063 -8.959 -7.435 1.00 65.41 H new ATOM 0 HG23 VAL A 12 -0.487 -8.177 -7.165 1.00 65.41 H new ATOM 177 N SER A 13 -0.542 -6.316 -3.813 1.00 4.22 N ATOM 178 CA SER A 13 0.253 -5.132 -3.744 1.00 21.14 C ATOM 179 C SER A 13 1.666 -5.434 -3.335 1.00 63.13 C ATOM 180 O SER A 13 1.895 -6.068 -2.304 1.00 52.12 O ATOM 181 CB SER A 13 -0.375 -4.143 -2.760 1.00 51.42 C ATOM 182 OG SER A 13 -0.632 -4.754 -1.497 1.00 24.11 O ATOM 0 H SER A 13 -0.563 -6.863 -2.952 1.00 4.22 H new ATOM 0 HA SER A 13 0.283 -4.691 -4.740 1.00 21.14 H new ATOM 0 HB2 SER A 13 0.291 -3.291 -2.624 1.00 51.42 H new ATOM 0 HB3 SER A 13 -1.306 -3.757 -3.175 1.00 51.42 H new ATOM 0 HG SER A 13 0.095 -5.374 -1.279 1.00 24.11 H new ATOM 188 N LEU A 14 2.605 -5.010 -4.129 1.00 41.24 N ATOM 189 CA LEU A 14 3.987 -5.148 -3.748 1.00 74.22 C ATOM 190 C LEU A 14 4.640 -3.827 -3.540 1.00 41.50 C ATOM 191 O LEU A 14 4.521 -2.908 -4.366 1.00 3.03 O ATOM 192 CB LEU A 14 4.816 -6.017 -4.683 1.00 63.31 C ATOM 193 CG LEU A 14 4.532 -7.517 -4.646 1.00 0.51 C ATOM 194 CD1 LEU A 14 5.509 -8.251 -5.536 1.00 24.43 C ATOM 195 CD2 LEU A 14 4.619 -8.052 -3.218 1.00 44.02 C ATOM 0 H LEU A 14 2.446 -4.570 -5.035 1.00 41.24 H new ATOM 0 HA LEU A 14 3.956 -5.679 -2.797 1.00 74.22 H new ATOM 0 HB2 LEU A 14 4.662 -5.665 -5.703 1.00 63.31 H new ATOM 0 HB3 LEU A 14 5.869 -5.863 -4.449 1.00 63.31 H new ATOM 0 HG LEU A 14 3.519 -7.684 -5.013 1.00 0.51 H new ATOM 0 HD11 LEU A 14 5.299 -9.320 -5.503 1.00 24.43 H new ATOM 0 HD12 LEU A 14 5.408 -7.893 -6.560 1.00 24.43 H new ATOM 0 HD13 LEU A 14 6.526 -8.070 -5.187 1.00 24.43 H new ATOM 0 HD21 LEU A 14 4.413 -9.122 -3.217 1.00 44.02 H new ATOM 0 HD22 LEU A 14 5.620 -7.875 -2.823 1.00 44.02 H new ATOM 0 HD23 LEU A 14 3.887 -7.541 -2.593 1.00 44.02 H new ATOM 207 N THR A 15 5.294 -3.716 -2.435 1.00 63.34 N ATOM 208 CA THR A 15 6.020 -2.552 -2.105 1.00 54.14 C ATOM 209 C THR A 15 7.476 -2.725 -2.495 1.00 44.50 C ATOM 210 O THR A 15 8.131 -3.699 -2.105 1.00 13.52 O ATOM 211 CB THR A 15 5.859 -2.165 -0.612 1.00 12.42 C ATOM 212 OG1 THR A 15 6.207 -3.268 0.245 1.00 74.31 O ATOM 213 CG2 THR A 15 4.428 -1.731 -0.330 1.00 13.34 C ATOM 0 H THR A 15 5.336 -4.449 -1.727 1.00 63.34 H new ATOM 0 HA THR A 15 5.608 -1.719 -2.675 1.00 54.14 H new ATOM 0 HB THR A 15 6.535 -1.335 -0.405 1.00 12.42 H new ATOM 0 HG1 THR A 15 6.826 -3.865 -0.225 1.00 74.31 H new ATOM 0 HG21 THR A 15 4.330 -1.462 0.722 1.00 13.34 H new ATOM 0 HG22 THR A 15 4.180 -0.869 -0.949 1.00 13.34 H new ATOM 0 HG23 THR A 15 3.747 -2.551 -0.560 1.00 13.34 H new ATOM 221 N THR A 16 7.956 -1.810 -3.269 1.00 42.34 N ATOM 222 CA THR A 16 9.266 -1.866 -3.793 1.00 65.21 C ATOM 223 C THR A 16 9.804 -0.427 -3.859 1.00 21.15 C ATOM 224 O THR A 16 9.069 0.490 -4.240 1.00 60.41 O ATOM 225 CB THR A 16 9.234 -2.560 -5.205 1.00 33.24 C ATOM 226 OG1 THR A 16 10.558 -2.760 -5.718 1.00 70.45 O ATOM 227 CG2 THR A 16 8.397 -1.762 -6.224 1.00 25.32 C ATOM 0 H THR A 16 7.430 -0.985 -3.558 1.00 42.34 H new ATOM 0 HA THR A 16 9.929 -2.458 -3.162 1.00 65.21 H new ATOM 0 HB THR A 16 8.759 -3.531 -5.061 1.00 33.24 H new ATOM 0 HG1 THR A 16 10.860 -1.945 -6.170 1.00 70.45 H new ATOM 0 HG21 THR A 16 8.403 -2.278 -7.184 1.00 25.32 H new ATOM 0 HG22 THR A 16 7.371 -1.676 -5.865 1.00 25.32 H new ATOM 0 HG23 THR A 16 8.824 -0.766 -6.345 1.00 25.32 H new ATOM 235 N GLN A 17 11.072 -0.239 -3.449 1.00 3.33 N ATOM 236 CA GLN A 17 11.700 1.099 -3.360 1.00 43.51 C ATOM 237 C GLN A 17 10.924 2.035 -2.417 1.00 34.53 C ATOM 238 O GLN A 17 9.968 1.632 -1.745 1.00 62.14 O ATOM 239 CB GLN A 17 11.868 1.807 -4.748 1.00 1.02 C ATOM 240 CG GLN A 17 12.941 1.250 -5.691 1.00 41.42 C ATOM 241 CD GLN A 17 12.637 -0.100 -6.297 1.00 11.31 C ATOM 242 OE1 GLN A 17 11.495 -0.454 -6.528 1.00 52.40 O ATOM 243 NE2 GLN A 17 13.665 -0.857 -6.556 1.00 64.25 N ATOM 0 H GLN A 17 11.689 -1.002 -3.171 1.00 3.33 H new ATOM 0 HA GLN A 17 12.695 0.909 -2.957 1.00 43.51 H new ATOM 0 HB2 GLN A 17 10.910 1.768 -5.266 1.00 1.02 H new ATOM 0 HB3 GLN A 17 12.090 2.859 -4.567 1.00 1.02 H new ATOM 0 HG2 GLN A 17 13.096 1.965 -6.499 1.00 41.42 H new ATOM 0 HG3 GLN A 17 13.881 1.180 -5.143 1.00 41.42 H new ATOM 0 HE21 GLN A 17 14.607 -0.526 -6.349 1.00 64.25 H new ATOM 0 HE22 GLN A 17 13.528 -1.781 -6.966 1.00 64.25 H new ATOM 252 N ARG A 18 11.393 3.247 -2.323 1.00 24.44 N ATOM 253 CA ARG A 18 10.670 4.304 -1.670 1.00 10.55 C ATOM 254 C ARG A 18 10.774 5.502 -2.567 1.00 25.24 C ATOM 255 O ARG A 18 11.806 6.178 -2.608 1.00 71.11 O ATOM 256 CB ARG A 18 11.194 4.628 -0.258 1.00 45.33 C ATOM 257 CG ARG A 18 10.386 5.728 0.434 1.00 14.32 C ATOM 258 CD ARG A 18 10.908 6.053 1.825 1.00 5.32 C ATOM 259 NE ARG A 18 10.121 7.133 2.456 1.00 22.11 N ATOM 260 CZ ARG A 18 10.332 7.639 3.682 1.00 31.31 C ATOM 261 NH1 ARG A 18 11.306 7.178 4.438 1.00 5.43 N ATOM 262 NH2 ARG A 18 9.554 8.607 4.137 1.00 11.45 N ATOM 0 H ARG A 18 12.296 3.533 -2.701 1.00 24.44 H new ATOM 0 HA ARG A 18 9.636 3.994 -1.516 1.00 10.55 H new ATOM 0 HB2 ARG A 18 11.166 3.725 0.351 1.00 45.33 H new ATOM 0 HB3 ARG A 18 12.237 4.936 -0.324 1.00 45.33 H new ATOM 0 HG2 ARG A 18 10.409 6.630 -0.178 1.00 14.32 H new ATOM 0 HG3 ARG A 18 9.344 5.417 0.505 1.00 14.32 H new ATOM 0 HD2 ARG A 18 10.868 5.160 2.448 1.00 5.32 H new ATOM 0 HD3 ARG A 18 11.954 6.352 1.762 1.00 5.32 H new ATOM 0 HE ARG A 18 9.352 7.528 1.914 1.00 22.11 H new ATOM 0 HH11 ARG A 18 11.908 6.430 4.094 1.00 5.43 H new ATOM 0 HH12 ARG A 18 11.458 7.569 5.368 1.00 5.43 H new ATOM 0 HH21 ARG A 18 8.796 8.967 3.557 1.00 11.45 H new ATOM 0 HH22 ARG A 18 9.712 8.993 5.068 1.00 11.45 H new ATOM 276 N LEU A 19 9.758 5.716 -3.323 1.00 40.22 N ATOM 277 CA LEU A 19 9.743 6.744 -4.317 1.00 64.33 C ATOM 278 C LEU A 19 8.542 7.640 -4.122 1.00 2.32 C ATOM 279 O LEU A 19 7.424 7.228 -4.391 1.00 1.35 O ATOM 280 CB LEU A 19 9.766 6.146 -5.768 1.00 31.23 C ATOM 281 CG LEU A 19 8.587 5.213 -6.220 1.00 72.14 C ATOM 282 CD1 LEU A 19 8.702 4.910 -7.694 1.00 21.44 C ATOM 283 CD2 LEU A 19 8.558 3.894 -5.449 1.00 74.22 C ATOM 0 H LEU A 19 8.895 5.175 -3.272 1.00 40.22 H new ATOM 0 HA LEU A 19 10.648 7.340 -4.199 1.00 64.33 H new ATOM 0 HB2 LEU A 19 9.814 6.980 -6.468 1.00 31.23 H new ATOM 0 HB3 LEU A 19 10.693 5.583 -5.879 1.00 31.23 H new ATOM 0 HG LEU A 19 7.662 5.750 -6.009 1.00 72.14 H new ATOM 0 HD11 LEU A 19 7.880 4.262 -7.998 1.00 21.44 H new ATOM 0 HD12 LEU A 19 8.660 5.840 -8.261 1.00 21.44 H new ATOM 0 HD13 LEU A 19 9.650 4.409 -7.890 1.00 21.44 H new ATOM 0 HD21 LEU A 19 7.724 3.286 -5.800 1.00 74.22 H new ATOM 0 HD22 LEU A 19 9.493 3.357 -5.611 1.00 74.22 H new ATOM 0 HD23 LEU A 19 8.437 4.097 -4.385 1.00 74.22 H new ATOM 295 N PRO A 20 8.734 8.864 -3.615 1.00 55.43 N ATOM 296 CA PRO A 20 7.625 9.787 -3.422 1.00 3.42 C ATOM 297 C PRO A 20 6.925 10.038 -4.747 1.00 64.13 C ATOM 298 O PRO A 20 7.580 10.211 -5.789 1.00 70.40 O ATOM 299 CB PRO A 20 8.305 11.070 -2.937 1.00 33.41 C ATOM 300 CG PRO A 20 9.603 10.616 -2.368 1.00 31.21 C ATOM 301 CD PRO A 20 10.022 9.441 -3.198 1.00 52.33 C ATOM 0 HA PRO A 20 6.872 9.414 -2.727 1.00 3.42 H new ATOM 0 HB2 PRO A 20 8.456 11.773 -3.757 1.00 33.41 H new ATOM 0 HB3 PRO A 20 7.700 11.580 -2.187 1.00 33.41 H new ATOM 0 HG2 PRO A 20 10.348 11.410 -2.410 1.00 31.21 H new ATOM 0 HG3 PRO A 20 9.494 10.336 -1.320 1.00 31.21 H new ATOM 0 HD2 PRO A 20 10.626 9.744 -4.053 1.00 52.33 H new ATOM 0 HD3 PRO A 20 10.617 8.731 -2.624 1.00 52.33 H new ATOM 309 N VAL A 21 5.635 10.096 -4.723 1.00 32.15 N ATOM 310 CA VAL A 21 4.896 10.249 -5.936 1.00 53.25 C ATOM 311 C VAL A 21 3.945 11.436 -5.798 1.00 62.22 C ATOM 312 O VAL A 21 3.440 11.700 -4.697 1.00 34.42 O ATOM 313 CB VAL A 21 4.155 8.909 -6.299 1.00 60.14 C ATOM 314 CG1 VAL A 21 3.064 8.531 -5.307 1.00 73.42 C ATOM 315 CG2 VAL A 21 3.642 8.899 -7.714 1.00 72.45 C ATOM 0 H VAL A 21 5.068 10.040 -3.877 1.00 32.15 H new ATOM 0 HA VAL A 21 5.570 10.461 -6.766 1.00 53.25 H new ATOM 0 HB VAL A 21 4.917 8.134 -6.224 1.00 60.14 H new ATOM 0 HG11 VAL A 21 2.596 7.598 -5.619 1.00 73.42 H new ATOM 0 HG12 VAL A 21 3.501 8.404 -4.316 1.00 73.42 H new ATOM 0 HG13 VAL A 21 2.313 9.320 -5.274 1.00 73.42 H new ATOM 0 HG21 VAL A 21 3.139 7.952 -7.912 1.00 72.45 H new ATOM 0 HG22 VAL A 21 2.938 9.719 -7.851 1.00 72.45 H new ATOM 0 HG23 VAL A 21 4.477 9.018 -8.405 1.00 72.45 H new ATOM 325 N SER A 22 3.734 12.170 -6.891 1.00 34.44 N ATOM 326 CA SER A 22 2.897 13.370 -6.887 1.00 43.12 C ATOM 327 C SER A 22 1.489 13.055 -6.385 1.00 62.21 C ATOM 328 O SER A 22 0.898 13.822 -5.626 1.00 4.00 O ATOM 329 CB SER A 22 2.840 13.943 -8.295 1.00 72.32 C ATOM 330 OG SER A 22 4.155 14.148 -8.803 1.00 61.25 O ATOM 0 H SER A 22 4.137 11.950 -7.802 1.00 34.44 H new ATOM 0 HA SER A 22 3.334 14.104 -6.210 1.00 43.12 H new ATOM 0 HB2 SER A 22 2.293 13.264 -8.949 1.00 72.32 H new ATOM 0 HB3 SER A 22 2.295 14.887 -8.288 1.00 72.32 H new ATOM 0 HG SER A 22 4.102 14.515 -9.710 1.00 61.25 H new ATOM 336 N ARG A 23 0.979 11.920 -6.802 1.00 23.12 N ATOM 337 CA ARG A 23 -0.322 11.457 -6.410 1.00 71.14 C ATOM 338 C ARG A 23 -0.424 9.984 -6.671 1.00 74.32 C ATOM 339 O ARG A 23 0.392 9.420 -7.417 1.00 1.14 O ATOM 340 CB ARG A 23 -1.429 12.152 -7.204 1.00 64.53 C ATOM 341 CG ARG A 23 -1.280 12.016 -8.709 1.00 60.53 C ATOM 342 CD ARG A 23 -2.558 12.380 -9.414 1.00 4.30 C ATOM 343 NE ARG A 23 -3.625 11.414 -9.100 1.00 4.24 N ATOM 344 CZ ARG A 23 -4.715 11.195 -9.844 1.00 70.13 C ATOM 345 NH1 ARG A 23 -4.944 11.908 -10.943 1.00 4.32 N ATOM 346 NH2 ARG A 23 -5.572 10.252 -9.485 1.00 71.52 N ATOM 0 H ARG A 23 1.468 11.286 -7.433 1.00 23.12 H new ATOM 0 HA ARG A 23 -0.447 11.682 -5.351 1.00 71.14 H new ATOM 0 HB2 ARG A 23 -2.392 11.739 -6.905 1.00 64.53 H new ATOM 0 HB3 ARG A 23 -1.441 13.210 -6.943 1.00 64.53 H new ATOM 0 HG2 ARG A 23 -0.473 12.660 -9.057 1.00 60.53 H new ATOM 0 HG3 ARG A 23 -1.002 10.992 -8.959 1.00 60.53 H new ATOM 0 HD2 ARG A 23 -2.869 13.381 -9.117 1.00 4.30 H new ATOM 0 HD3 ARG A 23 -2.390 12.405 -10.491 1.00 4.30 H new ATOM 0 HE ARG A 23 -3.524 10.867 -8.245 1.00 4.24 H new ATOM 0 HH11 ARG A 23 -4.285 12.632 -11.228 1.00 4.32 H new ATOM 0 HH12 ARG A 23 -5.779 11.731 -11.501 1.00 4.32 H new ATOM 0 HH21 ARG A 23 -5.399 9.698 -8.646 1.00 71.52 H new ATOM 0 HH22 ARG A 23 -6.405 10.079 -10.047 1.00 71.52 H new ATOM 360 N ILE A 24 -1.405 9.368 -6.089 1.00 43.10 N ATOM 361 CA ILE A 24 -1.699 7.991 -6.357 1.00 13.22 C ATOM 362 C ILE A 24 -2.730 8.031 -7.474 1.00 11.32 C ATOM 363 O ILE A 24 -3.624 8.887 -7.465 1.00 42.25 O ATOM 364 CB ILE A 24 -2.323 7.292 -5.100 1.00 61.54 C ATOM 365 CG1 ILE A 24 -1.496 7.587 -3.823 1.00 25.54 C ATOM 366 CG2 ILE A 24 -2.398 5.780 -5.314 1.00 35.33 C ATOM 367 CD1 ILE A 24 -0.082 7.100 -3.853 1.00 14.31 C ATOM 0 H ILE A 24 -2.029 9.806 -5.411 1.00 43.10 H new ATOM 0 HA ILE A 24 -0.800 7.433 -6.619 1.00 13.22 H new ATOM 0 HB ILE A 24 -3.327 7.693 -4.966 1.00 61.54 H new ATOM 0 HG12 ILE A 24 -1.489 8.664 -3.655 1.00 25.54 H new ATOM 0 HG13 ILE A 24 -2.001 7.134 -2.970 1.00 25.54 H new ATOM 0 HG21 ILE A 24 -2.833 5.309 -4.433 1.00 35.33 H new ATOM 0 HG22 ILE A 24 -3.019 5.566 -6.184 1.00 35.33 H new ATOM 0 HG23 ILE A 24 -1.395 5.386 -5.478 1.00 35.33 H new ATOM 0 HD11 ILE A 24 0.411 7.355 -2.915 1.00 14.31 H new ATOM 0 HD12 ILE A 24 -0.073 6.018 -3.985 1.00 14.31 H new ATOM 0 HD13 ILE A 24 0.448 7.571 -4.681 1.00 14.31 H new ATOM 379 N LYS A 25 -2.588 7.191 -8.442 1.00 53.01 N ATOM 380 CA LYS A 25 -3.504 7.187 -9.548 1.00 64.21 C ATOM 381 C LYS A 25 -3.786 5.775 -9.915 1.00 65.23 C ATOM 382 O LYS A 25 -2.943 4.889 -9.663 1.00 51.35 O ATOM 383 CB LYS A 25 -2.990 7.971 -10.815 1.00 21.31 C ATOM 384 CG LYS A 25 -1.844 7.334 -11.643 1.00 43.54 C ATOM 385 CD LYS A 25 -0.426 7.771 -11.269 1.00 24.05 C ATOM 386 CE LYS A 25 -0.029 7.408 -9.873 1.00 54.32 C ATOM 387 NZ LYS A 25 1.395 7.683 -9.602 1.00 25.20 N ATOM 0 H LYS A 25 -1.846 6.493 -8.497 1.00 53.01 H new ATOM 0 HA LYS A 25 -4.403 7.710 -9.222 1.00 64.21 H new ATOM 0 HB2 LYS A 25 -3.839 8.125 -11.481 1.00 21.31 H new ATOM 0 HB3 LYS A 25 -2.659 8.957 -10.488 1.00 21.31 H new ATOM 0 HG2 LYS A 25 -1.908 6.251 -11.542 1.00 43.54 H new ATOM 0 HG3 LYS A 25 -2.009 7.566 -12.695 1.00 43.54 H new ATOM 0 HD2 LYS A 25 0.279 7.318 -11.966 1.00 24.05 H new ATOM 0 HD3 LYS A 25 -0.345 8.851 -11.390 1.00 24.05 H new ATOM 0 HE2 LYS A 25 -0.644 7.966 -9.167 1.00 54.32 H new ATOM 0 HE3 LYS A 25 -0.230 6.350 -9.705 1.00 54.32 H new ATOM 0 HZ1 LYS A 25 1.564 7.660 -8.576 1.00 25.20 H new ATOM 0 HZ2 LYS A 25 1.982 6.961 -10.066 1.00 25.20 H new ATOM 0 HZ3 LYS A 25 1.644 8.622 -9.973 1.00 25.20 H new ATOM 401 N THR A 26 -4.927 5.549 -10.480 1.00 64.11 N ATOM 402 CA THR A 26 -5.304 4.250 -10.895 1.00 24.20 C ATOM 403 C THR A 26 -5.464 4.140 -12.394 1.00 41.53 C ATOM 404 O THR A 26 -6.060 5.008 -13.049 1.00 31.51 O ATOM 405 CB THR A 26 -6.580 3.766 -10.189 1.00 25.22 C ATOM 406 OG1 THR A 26 -7.589 4.790 -10.236 1.00 1.20 O ATOM 407 CG2 THR A 26 -6.297 3.362 -8.753 1.00 43.42 C ATOM 0 H THR A 26 -5.624 6.270 -10.665 1.00 64.11 H new ATOM 0 HA THR A 26 -4.481 3.598 -10.601 1.00 24.20 H new ATOM 0 HB THR A 26 -6.946 2.884 -10.715 1.00 25.22 H new ATOM 0 HG1 THR A 26 -8.399 4.472 -9.785 1.00 1.20 H new ATOM 0 HG21 THR A 26 -7.220 3.024 -8.281 1.00 43.42 H new ATOM 0 HG22 THR A 26 -5.566 2.554 -8.740 1.00 43.42 H new ATOM 0 HG23 THR A 26 -5.902 4.218 -8.206 1.00 43.42 H new ATOM 415 N TYR A 27 -4.898 3.104 -12.929 1.00 51.04 N ATOM 416 CA TYR A 27 -5.057 2.756 -14.314 1.00 15.21 C ATOM 417 C TYR A 27 -5.894 1.523 -14.382 1.00 51.01 C ATOM 418 O TYR A 27 -5.670 0.589 -13.625 1.00 51.43 O ATOM 419 CB TYR A 27 -3.700 2.516 -14.988 1.00 13.03 C ATOM 420 CG TYR A 27 -2.877 3.768 -15.152 1.00 60.21 C ATOM 421 CD1 TYR A 27 -3.019 4.572 -16.275 1.00 42.12 C ATOM 422 CD2 TYR A 27 -1.968 4.157 -14.181 1.00 54.35 C ATOM 423 CE1 TYR A 27 -2.274 5.726 -16.426 1.00 73.52 C ATOM 424 CE2 TYR A 27 -1.223 5.306 -14.323 1.00 42.14 C ATOM 425 CZ TYR A 27 -1.375 6.086 -15.445 1.00 33.25 C ATOM 426 OH TYR A 27 -0.626 7.241 -15.583 1.00 64.43 O ATOM 0 H TYR A 27 -4.300 2.462 -12.409 1.00 51.04 H new ATOM 0 HA TYR A 27 -5.538 3.577 -14.845 1.00 15.21 H new ATOM 0 HB2 TYR A 27 -3.134 1.794 -14.399 1.00 13.03 H new ATOM 0 HB3 TYR A 27 -3.865 2.069 -15.968 1.00 13.03 H new ATOM 0 HD1 TYR A 27 -3.724 4.291 -17.044 1.00 42.12 H new ATOM 0 HD2 TYR A 27 -1.842 3.548 -13.298 1.00 54.35 H new ATOM 0 HE1 TYR A 27 -2.395 6.341 -17.306 1.00 73.52 H new ATOM 0 HE2 TYR A 27 -0.521 5.594 -13.555 1.00 42.14 H new ATOM 0 HH TYR A 27 -0.428 7.610 -14.697 1.00 64.43 H new ATOM 436 N THR A 28 -6.858 1.515 -15.235 1.00 31.31 N ATOM 437 CA THR A 28 -7.703 0.382 -15.341 1.00 40.32 C ATOM 438 C THR A 28 -7.448 -0.339 -16.666 1.00 62.31 C ATOM 439 O THR A 28 -7.386 0.279 -17.733 1.00 74.43 O ATOM 440 CB THR A 28 -9.192 0.766 -15.175 1.00 32.55 C ATOM 441 OG1 THR A 28 -9.325 1.553 -13.976 1.00 62.01 O ATOM 442 CG2 THR A 28 -10.048 -0.485 -15.002 1.00 60.54 C ATOM 0 H THR A 28 -7.080 2.282 -15.869 1.00 31.31 H new ATOM 0 HA THR A 28 -7.465 -0.303 -14.528 1.00 40.32 H new ATOM 0 HB THR A 28 -9.518 1.316 -16.058 1.00 32.55 H new ATOM 0 HG1 THR A 28 -10.263 1.808 -13.854 1.00 62.01 H new ATOM 0 HG21 THR A 28 -11.093 -0.198 -14.886 1.00 60.54 H new ATOM 0 HG22 THR A 28 -9.942 -1.123 -15.880 1.00 60.54 H new ATOM 0 HG23 THR A 28 -9.721 -1.030 -14.116 1.00 60.54 H new ATOM 450 N ILE A 29 -7.264 -1.622 -16.570 1.00 52.42 N ATOM 451 CA ILE A 29 -6.988 -2.477 -17.694 1.00 22.12 C ATOM 452 C ILE A 29 -8.244 -3.217 -18.065 1.00 73.41 C ATOM 453 O ILE A 29 -8.964 -3.691 -17.210 1.00 3.10 O ATOM 454 CB ILE A 29 -5.862 -3.483 -17.334 1.00 31.43 C ATOM 455 CG1 ILE A 29 -4.566 -2.725 -17.065 1.00 44.30 C ATOM 456 CG2 ILE A 29 -5.672 -4.513 -18.441 1.00 54.50 C ATOM 457 CD1 ILE A 29 -3.491 -3.521 -16.415 1.00 42.53 C ATOM 0 H ILE A 29 -7.302 -2.121 -15.681 1.00 52.42 H new ATOM 0 HA ILE A 29 -6.656 -1.875 -18.540 1.00 22.12 H new ATOM 0 HB ILE A 29 -6.149 -4.024 -16.432 1.00 31.43 H new ATOM 0 HG12 ILE A 29 -4.188 -2.337 -18.011 1.00 44.30 H new ATOM 0 HG13 ILE A 29 -4.791 -1.865 -16.435 1.00 44.30 H new ATOM 0 HG21 ILE A 29 -4.877 -5.205 -18.162 1.00 54.50 H new ATOM 0 HG22 ILE A 29 -6.600 -5.066 -18.586 1.00 54.50 H new ATOM 0 HG23 ILE A 29 -5.403 -4.006 -19.368 1.00 54.50 H new ATOM 0 HD11 ILE A 29 -2.612 -2.893 -16.267 1.00 42.53 H new ATOM 0 HD12 ILE A 29 -3.842 -3.887 -15.450 1.00 42.53 H new ATOM 0 HD13 ILE A 29 -3.229 -4.367 -17.051 1.00 42.53 H new ATOM 469 N THR A 30 -8.502 -3.259 -19.318 1.00 14.15 N ATOM 470 CA THR A 30 -9.672 -3.881 -19.879 1.00 2.31 C ATOM 471 C THR A 30 -9.293 -4.727 -21.098 1.00 40.43 C ATOM 472 O THR A 30 -9.204 -4.202 -22.218 1.00 0.42 O ATOM 473 CB THR A 30 -10.744 -2.823 -20.277 1.00 44.45 C ATOM 474 OG1 THR A 30 -10.157 -1.797 -21.121 1.00 4.40 O ATOM 475 CG2 THR A 30 -11.379 -2.179 -19.051 1.00 41.25 C ATOM 0 H THR A 30 -7.888 -2.848 -20.021 1.00 14.15 H new ATOM 0 HA THR A 30 -10.103 -4.527 -19.114 1.00 2.31 H new ATOM 0 HB THR A 30 -11.525 -3.343 -20.831 1.00 44.45 H new ATOM 0 HG1 THR A 30 -9.621 -2.219 -21.824 1.00 4.40 H new ATOM 0 HG21 THR A 30 -12.121 -1.447 -19.368 1.00 41.25 H new ATOM 0 HG22 THR A 30 -11.862 -2.946 -18.446 1.00 41.25 H new ATOM 0 HG23 THR A 30 -10.609 -1.683 -18.461 1.00 41.25 H new ATOM 483 N GLU A 31 -9.035 -6.003 -20.909 1.00 5.40 N ATOM 484 CA GLU A 31 -8.632 -6.812 -22.035 1.00 43.04 C ATOM 485 C GLU A 31 -9.179 -8.227 -21.990 1.00 33.22 C ATOM 486 O GLU A 31 -8.935 -8.960 -21.070 1.00 51.34 O ATOM 487 CB GLU A 31 -7.099 -6.701 -22.292 1.00 4.30 C ATOM 488 CG GLU A 31 -6.129 -7.138 -21.187 1.00 60.04 C ATOM 489 CD GLU A 31 -5.814 -8.621 -21.181 1.00 1.33 C ATOM 490 OE1 GLU A 31 -5.196 -9.115 -22.159 1.00 63.23 O ATOM 491 OE2 GLU A 31 -6.099 -9.293 -20.210 1.00 31.25 O ATOM 0 H GLU A 31 -9.095 -6.490 -20.015 1.00 5.40 H new ATOM 0 HA GLU A 31 -9.107 -6.397 -22.924 1.00 43.04 H new ATOM 0 HB2 GLU A 31 -6.871 -7.287 -23.182 1.00 4.30 H new ATOM 0 HB3 GLU A 31 -6.879 -5.660 -22.531 1.00 4.30 H new ATOM 0 HG2 GLU A 31 -5.198 -6.582 -21.297 1.00 60.04 H new ATOM 0 HG3 GLU A 31 -6.552 -6.865 -20.220 1.00 60.04 H new ATOM 498 N GLY A 32 -9.966 -8.575 -22.992 1.00 3.15 N ATOM 499 CA GLY A 32 -10.562 -9.894 -23.067 1.00 12.14 C ATOM 500 C GLY A 32 -11.569 -10.137 -21.963 1.00 42.24 C ATOM 501 O GLY A 32 -11.576 -11.212 -21.354 1.00 71.12 O ATOM 0 H GLY A 32 -10.207 -7.958 -23.768 1.00 3.15 H new ATOM 0 HA2 GLY A 32 -11.051 -10.014 -24.034 1.00 12.14 H new ATOM 0 HA3 GLY A 32 -9.777 -10.648 -23.011 1.00 12.14 H new ATOM 505 N SER A 33 -12.410 -9.113 -21.699 1.00 11.22 N ATOM 506 CA SER A 33 -13.441 -9.150 -20.643 1.00 32.23 C ATOM 507 C SER A 33 -12.799 -9.215 -19.237 1.00 4.21 C ATOM 508 O SER A 33 -13.440 -9.555 -18.252 1.00 33.40 O ATOM 509 CB SER A 33 -14.411 -10.317 -20.884 1.00 72.32 C ATOM 510 OG SER A 33 -15.019 -10.195 -22.176 1.00 75.32 O ATOM 0 H SER A 33 -12.391 -8.234 -22.216 1.00 11.22 H new ATOM 0 HA SER A 33 -14.015 -8.225 -20.687 1.00 32.23 H new ATOM 0 HB2 SER A 33 -13.877 -11.264 -20.813 1.00 72.32 H new ATOM 0 HB3 SER A 33 -15.180 -10.326 -20.111 1.00 72.32 H new ATOM 0 HG SER A 33 -15.634 -10.944 -22.320 1.00 75.32 H new ATOM 516 N LEU A 34 -11.557 -8.805 -19.175 1.00 55.15 N ATOM 517 CA LEU A 34 -10.764 -8.803 -17.965 1.00 71.41 C ATOM 518 C LEU A 34 -10.513 -7.367 -17.544 1.00 51.21 C ATOM 519 O LEU A 34 -10.140 -6.531 -18.366 1.00 22.32 O ATOM 520 CB LEU A 34 -9.443 -9.606 -18.254 1.00 13.33 C ATOM 521 CG LEU A 34 -8.240 -9.583 -17.267 1.00 13.53 C ATOM 522 CD1 LEU A 34 -7.496 -8.241 -17.292 1.00 5.51 C ATOM 523 CD2 LEU A 34 -8.672 -9.946 -15.860 1.00 31.41 C ATOM 0 H LEU A 34 -11.052 -8.452 -19.988 1.00 55.15 H new ATOM 0 HA LEU A 34 -11.276 -9.289 -17.134 1.00 71.41 H new ATOM 0 HB2 LEU A 34 -9.729 -10.650 -18.379 1.00 13.33 H new ATOM 0 HB3 LEU A 34 -9.068 -9.261 -19.217 1.00 13.33 H new ATOM 0 HG LEU A 34 -7.537 -10.343 -17.607 1.00 13.53 H new ATOM 0 HD11 LEU A 34 -6.665 -8.273 -16.587 1.00 5.51 H new ATOM 0 HD12 LEU A 34 -7.114 -8.055 -18.296 1.00 5.51 H new ATOM 0 HD13 LEU A 34 -8.180 -7.440 -17.011 1.00 5.51 H new ATOM 0 HD21 LEU A 34 -7.808 -9.920 -15.196 1.00 31.41 H new ATOM 0 HD22 LEU A 34 -9.418 -9.231 -15.513 1.00 31.41 H new ATOM 0 HD23 LEU A 34 -9.101 -10.948 -15.858 1.00 31.41 H new ATOM 535 N ARG A 35 -10.742 -7.082 -16.283 1.00 41.24 N ATOM 536 CA ARG A 35 -10.554 -5.741 -15.750 1.00 43.24 C ATOM 537 C ARG A 35 -9.486 -5.725 -14.711 1.00 54.24 C ATOM 538 O ARG A 35 -9.404 -6.619 -13.931 1.00 4.32 O ATOM 539 CB ARG A 35 -11.856 -5.195 -15.188 1.00 51.43 C ATOM 540 CG ARG A 35 -12.813 -4.718 -16.243 1.00 50.42 C ATOM 541 CD ARG A 35 -14.142 -4.334 -15.646 1.00 33.22 C ATOM 542 NE ARG A 35 -14.949 -3.558 -16.593 1.00 2.50 N ATOM 543 CZ ARG A 35 -15.916 -4.016 -17.388 1.00 65.22 C ATOM 544 NH1 ARG A 35 -16.164 -5.321 -17.480 1.00 65.13 N ATOM 545 NH2 ARG A 35 -16.623 -3.168 -18.110 1.00 21.50 N ATOM 0 H ARG A 35 -11.062 -7.765 -15.596 1.00 41.24 H new ATOM 0 HA ARG A 35 -10.239 -5.096 -16.570 1.00 43.24 H new ATOM 0 HB2 ARG A 35 -12.340 -5.971 -14.595 1.00 51.43 H new ATOM 0 HB3 ARG A 35 -11.632 -4.370 -14.512 1.00 51.43 H new ATOM 0 HG2 ARG A 35 -12.385 -3.861 -16.764 1.00 50.42 H new ATOM 0 HG3 ARG A 35 -12.959 -5.502 -16.986 1.00 50.42 H new ATOM 0 HD2 ARG A 35 -14.685 -5.233 -15.354 1.00 33.22 H new ATOM 0 HD3 ARG A 35 -13.981 -3.751 -14.740 1.00 33.22 H new ATOM 0 HE ARG A 35 -14.749 -2.559 -16.650 1.00 2.50 H new ATOM 0 HH11 ARG A 35 -15.611 -5.985 -16.938 1.00 65.13 H new ATOM 0 HH12 ARG A 35 -16.907 -5.657 -18.093 1.00 65.13 H new ATOM 0 HH21 ARG A 35 -16.428 -2.168 -18.058 1.00 21.50 H new ATOM 0 HH22 ARG A 35 -17.364 -3.512 -18.720 1.00 21.50 H new ATOM 559 N CYS A 36 -8.650 -4.737 -14.720 1.00 75.02 N ATOM 560 CA CYS A 36 -7.610 -4.673 -13.731 1.00 4.15 C ATOM 561 C CYS A 36 -7.437 -3.237 -13.258 1.00 12.23 C ATOM 562 O CYS A 36 -7.622 -2.326 -14.031 1.00 40.10 O ATOM 563 CB CYS A 36 -6.317 -5.188 -14.317 1.00 1.32 C ATOM 564 SG CYS A 36 -5.238 -5.988 -13.069 1.00 51.12 S ATOM 0 H CYS A 36 -8.661 -3.969 -15.391 1.00 75.02 H new ATOM 0 HA CYS A 36 -7.884 -5.294 -12.878 1.00 4.15 H new ATOM 0 HB2 CYS A 36 -6.542 -5.904 -15.108 1.00 1.32 H new ATOM 0 HB3 CYS A 36 -5.778 -4.361 -14.779 1.00 1.32 H new ATOM 569 N VAL A 37 -7.101 -3.038 -12.003 1.00 33.41 N ATOM 570 CA VAL A 37 -6.897 -1.699 -11.466 1.00 43.51 C ATOM 571 C VAL A 37 -5.482 -1.598 -10.904 1.00 60.35 C ATOM 572 O VAL A 37 -5.030 -2.499 -10.195 1.00 14.40 O ATOM 573 CB VAL A 37 -7.927 -1.355 -10.357 1.00 43.11 C ATOM 574 CG1 VAL A 37 -7.760 0.071 -9.870 1.00 52.05 C ATOM 575 CG2 VAL A 37 -9.351 -1.608 -10.822 1.00 44.54 C ATOM 0 H VAL A 37 -6.961 -3.788 -11.326 1.00 33.41 H new ATOM 0 HA VAL A 37 -7.037 -0.983 -12.276 1.00 43.51 H new ATOM 0 HB VAL A 37 -7.730 -2.020 -9.516 1.00 43.11 H new ATOM 0 HG11 VAL A 37 -8.497 0.279 -9.094 1.00 52.05 H new ATOM 0 HG12 VAL A 37 -6.757 0.201 -9.463 1.00 52.05 H new ATOM 0 HG13 VAL A 37 -7.906 0.759 -10.703 1.00 52.05 H new ATOM 0 HG21 VAL A 37 -10.046 -1.356 -10.021 1.00 44.54 H new ATOM 0 HG22 VAL A 37 -9.564 -0.990 -11.694 1.00 44.54 H new ATOM 0 HG23 VAL A 37 -9.466 -2.659 -11.085 1.00 44.54 H new ATOM 585 N ILE A 38 -4.800 -0.530 -11.241 1.00 44.13 N ATOM 586 CA ILE A 38 -3.410 -0.322 -10.860 1.00 72.53 C ATOM 587 C ILE A 38 -3.276 0.916 -9.979 1.00 34.22 C ATOM 588 O ILE A 38 -3.618 2.001 -10.406 1.00 44.14 O ATOM 589 CB ILE A 38 -2.586 -0.045 -12.129 1.00 5.15 C ATOM 590 CG1 ILE A 38 -2.802 -1.143 -13.163 1.00 33.11 C ATOM 591 CG2 ILE A 38 -1.097 0.083 -11.785 1.00 44.25 C ATOM 592 CD1 ILE A 38 -2.228 -0.809 -14.510 1.00 64.21 C ATOM 0 H ILE A 38 -5.192 0.232 -11.794 1.00 44.13 H new ATOM 0 HA ILE A 38 -3.064 -1.209 -10.328 1.00 72.53 H new ATOM 0 HB ILE A 38 -2.925 0.899 -12.557 1.00 5.15 H new ATOM 0 HG12 ILE A 38 -2.350 -2.067 -12.802 1.00 33.11 H new ATOM 0 HG13 ILE A 38 -3.871 -1.330 -13.267 1.00 33.11 H new ATOM 0 HG21 ILE A 38 -0.529 0.279 -12.694 1.00 44.25 H new ATOM 0 HG22 ILE A 38 -0.955 0.906 -11.084 1.00 44.25 H new ATOM 0 HG23 ILE A 38 -0.747 -0.844 -11.331 1.00 44.25 H new ATOM 0 HD11 ILE A 38 -2.416 -1.632 -15.200 1.00 64.21 H new ATOM 0 HD12 ILE A 38 -2.697 0.098 -14.891 1.00 64.21 H new ATOM 0 HD13 ILE A 38 -1.153 -0.650 -14.418 1.00 64.21 H new ATOM 604 N PHE A 39 -2.779 0.747 -8.782 1.00 61.45 N ATOM 605 CA PHE A 39 -2.506 1.869 -7.882 1.00 30.52 C ATOM 606 C PHE A 39 -1.016 2.103 -7.820 1.00 62.31 C ATOM 607 O PHE A 39 -0.281 1.230 -7.368 1.00 51.30 O ATOM 608 CB PHE A 39 -2.970 1.576 -6.449 1.00 13.52 C ATOM 609 CG PHE A 39 -4.445 1.441 -6.236 1.00 22.14 C ATOM 610 CD1 PHE A 39 -5.137 0.316 -6.656 1.00 25.23 C ATOM 611 CD2 PHE A 39 -5.135 2.444 -5.583 1.00 2.45 C ATOM 612 CE1 PHE A 39 -6.495 0.200 -6.427 1.00 45.42 C ATOM 613 CE2 PHE A 39 -6.486 2.341 -5.352 1.00 41.23 C ATOM 614 CZ PHE A 39 -7.173 1.217 -5.773 1.00 34.12 C ATOM 0 H PHE A 39 -2.547 -0.166 -8.391 1.00 61.45 H new ATOM 0 HA PHE A 39 -3.043 2.734 -8.270 1.00 30.52 H new ATOM 0 HB2 PHE A 39 -2.492 0.654 -6.118 1.00 13.52 H new ATOM 0 HB3 PHE A 39 -2.604 2.374 -5.803 1.00 13.52 H new ATOM 0 HD1 PHE A 39 -4.611 -0.477 -7.167 1.00 25.23 H new ATOM 0 HD2 PHE A 39 -4.604 3.323 -5.249 1.00 2.45 H new ATOM 0 HE1 PHE A 39 -7.026 -0.680 -6.757 1.00 45.42 H new ATOM 0 HE2 PHE A 39 -7.010 3.136 -4.843 1.00 41.23 H new ATOM 0 HZ PHE A 39 -8.234 1.132 -5.593 1.00 34.12 H new ATOM 624 N ILE A 40 -0.557 3.244 -8.270 1.00 52.24 N ATOM 625 CA ILE A 40 0.871 3.539 -8.153 1.00 52.04 C ATOM 626 C ILE A 40 1.052 4.375 -6.938 1.00 33.21 C ATOM 627 O ILE A 40 0.530 5.502 -6.874 1.00 44.32 O ATOM 628 CB ILE A 40 1.418 4.326 -9.359 1.00 74.20 C ATOM 629 CG1 ILE A 40 0.804 3.807 -10.649 1.00 50.41 C ATOM 630 CG2 ILE A 40 2.943 4.236 -9.402 1.00 53.52 C ATOM 631 CD1 ILE A 40 1.382 4.404 -11.912 1.00 70.25 C ATOM 0 H ILE A 40 -1.121 3.971 -8.710 1.00 52.24 H new ATOM 0 HA ILE A 40 1.412 2.594 -8.104 1.00 52.04 H new ATOM 0 HB ILE A 40 1.143 5.375 -9.251 1.00 74.20 H new ATOM 0 HG12 ILE A 40 0.930 2.725 -10.685 1.00 50.41 H new ATOM 0 HG13 ILE A 40 -0.268 4.003 -10.629 1.00 50.41 H new ATOM 0 HG21 ILE A 40 3.317 4.796 -10.259 1.00 53.52 H new ATOM 0 HG22 ILE A 40 3.358 4.655 -8.485 1.00 53.52 H new ATOM 0 HG23 ILE A 40 3.243 3.192 -9.492 1.00 53.52 H new ATOM 0 HD11 ILE A 40 0.882 3.974 -12.780 1.00 70.25 H new ATOM 0 HD12 ILE A 40 1.232 5.484 -11.906 1.00 70.25 H new ATOM 0 HD13 ILE A 40 2.449 4.186 -11.962 1.00 70.25 H new ATOM 643 N THR A 41 1.781 3.869 -5.983 1.00 21.54 N ATOM 644 CA THR A 41 1.935 4.560 -4.762 1.00 11.34 C ATOM 645 C THR A 41 3.383 4.904 -4.534 1.00 42.41 C ATOM 646 O THR A 41 4.256 4.483 -5.286 1.00 25.34 O ATOM 647 CB THR A 41 1.402 3.751 -3.545 1.00 40.54 C ATOM 648 OG1 THR A 41 2.245 2.607 -3.294 1.00 32.41 O ATOM 649 CG2 THR A 41 -0.017 3.247 -3.789 1.00 13.33 C ATOM 0 H THR A 41 2.274 2.978 -6.040 1.00 21.54 H new ATOM 0 HA THR A 41 1.341 5.470 -4.842 1.00 11.34 H new ATOM 0 HB THR A 41 1.406 4.424 -2.688 1.00 40.54 H new ATOM 0 HG1 THR A 41 2.625 2.289 -4.139 1.00 32.41 H new ATOM 0 HG21 THR A 41 -0.358 2.686 -2.919 1.00 13.33 H new ATOM 0 HG22 THR A 41 -0.681 4.095 -3.957 1.00 13.33 H new ATOM 0 HG23 THR A 41 -0.027 2.599 -4.665 1.00 13.33 H new ATOM 657 N LYS A 42 3.621 5.640 -3.484 1.00 33.14 N ATOM 658 CA LYS A 42 4.968 6.080 -3.111 1.00 25.50 C ATOM 659 C LYS A 42 5.908 4.956 -2.612 1.00 23.31 C ATOM 660 O LYS A 42 7.071 5.210 -2.279 1.00 5.32 O ATOM 661 CB LYS A 42 4.929 7.289 -2.138 1.00 1.24 C ATOM 662 CG LYS A 42 3.951 7.185 -0.959 1.00 4.44 C ATOM 663 CD LYS A 42 4.222 6.003 -0.058 1.00 74.33 C ATOM 664 CE LYS A 42 3.223 5.950 1.077 1.00 65.51 C ATOM 665 NZ LYS A 42 3.405 4.759 1.917 1.00 3.11 N ATOM 0 H LYS A 42 2.891 5.962 -2.848 1.00 33.14 H new ATOM 0 HA LYS A 42 5.421 6.413 -4.045 1.00 25.50 H new ATOM 0 HB2 LYS A 42 5.932 7.438 -1.738 1.00 1.24 H new ATOM 0 HB3 LYS A 42 4.679 8.181 -2.712 1.00 1.24 H new ATOM 0 HG2 LYS A 42 4.004 8.101 -0.370 1.00 4.44 H new ATOM 0 HG3 LYS A 42 2.934 7.113 -1.345 1.00 4.44 H new ATOM 0 HD2 LYS A 42 4.171 5.080 -0.636 1.00 74.33 H new ATOM 0 HD3 LYS A 42 5.233 6.071 0.344 1.00 74.33 H new ATOM 0 HE2 LYS A 42 3.324 6.845 1.691 1.00 65.51 H new ATOM 0 HE3 LYS A 42 2.212 5.955 0.670 1.00 65.51 H new ATOM 0 HZ1 LYS A 42 2.700 4.763 2.682 1.00 3.11 H new ATOM 0 HZ2 LYS A 42 3.283 3.904 1.338 1.00 3.11 H new ATOM 0 HZ3 LYS A 42 4.361 4.766 2.327 1.00 3.11 H new ATOM 679 N ARG A 43 5.425 3.735 -2.551 1.00 65.35 N ATOM 680 CA ARG A 43 6.288 2.649 -2.152 1.00 41.34 C ATOM 681 C ARG A 43 6.016 1.405 -3.016 1.00 53.42 C ATOM 682 O ARG A 43 6.383 0.306 -2.670 1.00 1.55 O ATOM 683 CB ARG A 43 6.134 2.327 -0.647 1.00 62.34 C ATOM 684 CG ARG A 43 7.196 1.357 -0.141 1.00 61.33 C ATOM 685 CD ARG A 43 6.995 0.950 1.290 1.00 1.22 C ATOM 686 NE ARG A 43 8.011 -0.033 1.696 1.00 2.22 N ATOM 687 CZ ARG A 43 8.137 -0.573 2.909 1.00 52.33 C ATOM 688 NH1 ARG A 43 7.333 -0.205 3.907 1.00 34.21 N ATOM 689 NH2 ARG A 43 9.071 -1.487 3.123 1.00 61.12 N ATOM 0 H ARG A 43 4.463 3.474 -2.767 1.00 65.35 H new ATOM 0 HA ARG A 43 7.320 2.961 -2.312 1.00 41.34 H new ATOM 0 HB2 ARG A 43 6.191 3.253 -0.074 1.00 62.34 H new ATOM 0 HB3 ARG A 43 5.146 1.902 -0.470 1.00 62.34 H new ATOM 0 HG2 ARG A 43 7.193 0.466 -0.769 1.00 61.33 H new ATOM 0 HG3 ARG A 43 8.178 1.818 -0.246 1.00 61.33 H new ATOM 0 HD2 ARG A 43 7.052 1.827 1.935 1.00 1.22 H new ATOM 0 HD3 ARG A 43 5.999 0.525 1.417 1.00 1.22 H new ATOM 0 HE ARG A 43 8.680 -0.329 0.985 1.00 2.22 H new ATOM 0 HH11 ARG A 43 6.611 0.497 3.748 1.00 34.21 H new ATOM 0 HH12 ARG A 43 7.440 -0.626 4.830 1.00 34.21 H new ATOM 0 HH21 ARG A 43 9.688 -1.773 2.363 1.00 61.12 H new ATOM 0 HH22 ARG A 43 9.174 -1.905 4.048 1.00 61.12 H new ATOM 703 N GLY A 44 5.397 1.579 -4.145 1.00 42.31 N ATOM 704 CA GLY A 44 5.161 0.434 -4.990 1.00 53.11 C ATOM 705 C GLY A 44 3.815 0.465 -5.621 1.00 54.01 C ATOM 706 O GLY A 44 3.139 1.495 -5.592 1.00 70.53 O ATOM 0 H GLY A 44 5.053 2.471 -4.500 1.00 42.31 H new ATOM 0 HA2 GLY A 44 5.924 0.396 -5.768 1.00 53.11 H new ATOM 0 HA3 GLY A 44 5.262 -0.477 -4.400 1.00 53.11 H new ATOM 710 N LEU A 45 3.390 -0.649 -6.171 1.00 52.35 N ATOM 711 CA LEU A 45 2.117 -0.664 -6.874 1.00 24.10 C ATOM 712 C LEU A 45 1.171 -1.727 -6.346 1.00 34.02 C ATOM 713 O LEU A 45 1.603 -2.744 -5.779 1.00 14.14 O ATOM 714 CB LEU A 45 2.267 -0.817 -8.419 1.00 74.42 C ATOM 715 CG LEU A 45 2.980 0.315 -9.203 1.00 72.13 C ATOM 716 CD1 LEU A 45 4.482 0.344 -8.957 1.00 64.24 C ATOM 717 CD2 LEU A 45 2.665 0.229 -10.688 1.00 14.14 C ATOM 0 H LEU A 45 3.888 -1.539 -6.150 1.00 52.35 H new ATOM 0 HA LEU A 45 1.684 0.316 -6.676 1.00 24.10 H new ATOM 0 HB2 LEU A 45 2.806 -1.745 -8.611 1.00 74.42 H new ATOM 0 HB3 LEU A 45 1.269 -0.935 -8.840 1.00 74.42 H new ATOM 0 HG LEU A 45 2.587 1.258 -8.823 1.00 72.13 H new ATOM 0 HD11 LEU A 45 4.929 1.156 -9.531 1.00 64.24 H new ATOM 0 HD12 LEU A 45 4.674 0.501 -7.896 1.00 64.24 H new ATOM 0 HD13 LEU A 45 4.920 -0.604 -9.268 1.00 64.24 H new ATOM 0 HD21 LEU A 45 3.177 1.034 -11.216 1.00 14.14 H new ATOM 0 HD22 LEU A 45 3.002 -0.732 -11.076 1.00 14.14 H new ATOM 0 HD23 LEU A 45 1.589 0.323 -10.838 1.00 14.14 H new ATOM 729 N LYS A 46 -0.110 -1.469 -6.501 1.00 45.02 N ATOM 730 CA LYS A 46 -1.151 -2.428 -6.186 1.00 32.42 C ATOM 731 C LYS A 46 -1.834 -2.766 -7.479 1.00 61.23 C ATOM 732 O LYS A 46 -2.292 -1.870 -8.179 1.00 50.34 O ATOM 733 CB LYS A 46 -2.231 -1.840 -5.269 1.00 31.33 C ATOM 734 CG LYS A 46 -3.277 -2.878 -4.844 1.00 2.13 C ATOM 735 CD LYS A 46 -4.585 -2.259 -4.358 1.00 31.31 C ATOM 736 CE LYS A 46 -4.426 -1.240 -3.238 1.00 24.31 C ATOM 737 NZ LYS A 46 -3.782 -1.785 -2.022 1.00 72.34 N ATOM 0 H LYS A 46 -0.463 -0.579 -6.853 1.00 45.02 H new ATOM 0 HA LYS A 46 -0.692 -3.281 -5.686 1.00 32.42 H new ATOM 0 HB2 LYS A 46 -1.759 -1.422 -4.380 1.00 31.33 H new ATOM 0 HB3 LYS A 46 -2.729 -1.018 -5.782 1.00 31.33 H new ATOM 0 HG2 LYS A 46 -3.487 -3.537 -5.687 1.00 2.13 H new ATOM 0 HG3 LYS A 46 -2.861 -3.498 -4.050 1.00 2.13 H new ATOM 0 HD2 LYS A 46 -5.080 -1.778 -5.202 1.00 31.31 H new ATOM 0 HD3 LYS A 46 -5.244 -3.057 -4.015 1.00 31.31 H new ATOM 0 HE2 LYS A 46 -3.836 -0.400 -3.605 1.00 24.31 H new ATOM 0 HE3 LYS A 46 -5.408 -0.849 -2.973 1.00 24.31 H new ATOM 0 HZ1 LYS A 46 -3.707 -1.037 -1.304 1.00 72.34 H new ATOM 0 HZ2 LYS A 46 -4.354 -2.568 -1.647 1.00 72.34 H new ATOM 0 HZ3 LYS A 46 -2.831 -2.134 -2.259 1.00 72.34 H new ATOM 751 N VAL A 47 -1.910 -4.002 -7.800 1.00 42.24 N ATOM 752 CA VAL A 47 -2.608 -4.391 -8.997 1.00 55.14 C ATOM 753 C VAL A 47 -3.753 -5.339 -8.632 1.00 0.14 C ATOM 754 O VAL A 47 -3.595 -6.223 -7.780 1.00 5.01 O ATOM 755 CB VAL A 47 -1.645 -5.014 -10.040 1.00 34.31 C ATOM 756 CG1 VAL A 47 -1.054 -6.333 -9.560 1.00 41.04 C ATOM 757 CG2 VAL A 47 -2.317 -5.150 -11.384 1.00 4.24 C ATOM 0 H VAL A 47 -1.505 -4.769 -7.264 1.00 42.24 H new ATOM 0 HA VAL A 47 -3.031 -3.503 -9.467 1.00 55.14 H new ATOM 0 HB VAL A 47 -0.806 -4.329 -10.160 1.00 34.31 H new ATOM 0 HG11 VAL A 47 -0.386 -6.732 -10.324 1.00 41.04 H new ATOM 0 HG12 VAL A 47 -0.495 -6.167 -8.639 1.00 41.04 H new ATOM 0 HG13 VAL A 47 -1.858 -7.045 -9.373 1.00 41.04 H new ATOM 0 HG21 VAL A 47 -1.619 -5.590 -12.097 1.00 4.24 H new ATOM 0 HG22 VAL A 47 -3.192 -5.793 -11.290 1.00 4.24 H new ATOM 0 HG23 VAL A 47 -2.625 -4.166 -11.738 1.00 4.24 H new ATOM 767 N CYS A 48 -4.905 -5.128 -9.208 1.00 50.12 N ATOM 768 CA CYS A 48 -6.044 -5.947 -8.889 1.00 22.11 C ATOM 769 C CYS A 48 -6.823 -6.288 -10.144 1.00 43.14 C ATOM 770 O CYS A 48 -7.445 -5.417 -10.736 1.00 11.32 O ATOM 771 CB CYS A 48 -6.944 -5.193 -7.920 1.00 71.15 C ATOM 772 SG CYS A 48 -8.284 -6.190 -7.222 1.00 2.42 S ATOM 0 H CYS A 48 -5.080 -4.398 -9.899 1.00 50.12 H new ATOM 0 HA CYS A 48 -5.698 -6.874 -8.433 1.00 22.11 H new ATOM 0 HB2 CYS A 48 -6.335 -4.802 -7.105 1.00 71.15 H new ATOM 0 HB3 CYS A 48 -7.375 -4.335 -8.435 1.00 71.15 H new ATOM 777 N CYS A 49 -6.776 -7.535 -10.559 1.00 35.00 N ATOM 778 CA CYS A 49 -7.494 -7.957 -11.759 1.00 41.13 C ATOM 779 C CYS A 49 -8.788 -8.732 -11.427 1.00 32.51 C ATOM 780 O CYS A 49 -8.830 -9.538 -10.496 1.00 72.12 O ATOM 781 CB CYS A 49 -6.608 -8.800 -12.702 1.00 44.42 C ATOM 782 SG CYS A 49 -5.194 -7.960 -13.567 1.00 71.24 S ATOM 0 H CYS A 49 -6.254 -8.276 -10.092 1.00 35.00 H new ATOM 0 HA CYS A 49 -7.770 -7.037 -12.275 1.00 41.13 H new ATOM 0 HB2 CYS A 49 -6.199 -9.627 -12.122 1.00 44.42 H new ATOM 0 HB3 CYS A 49 -7.254 -9.234 -13.465 1.00 44.42 H new ATOM 787 N ASP A 50 -9.828 -8.460 -12.199 1.00 53.43 N ATOM 788 CA ASP A 50 -11.113 -9.124 -12.105 1.00 21.04 C ATOM 789 C ASP A 50 -11.488 -9.610 -13.520 1.00 74.14 C ATOM 790 O ASP A 50 -11.822 -8.802 -14.390 1.00 72.52 O ATOM 791 CB ASP A 50 -12.208 -8.152 -11.630 1.00 41.21 C ATOM 792 CG ASP A 50 -13.505 -8.856 -11.213 1.00 35.35 C ATOM 793 OD1 ASP A 50 -13.903 -9.871 -11.834 1.00 11.32 O ATOM 794 OD2 ASP A 50 -14.119 -8.421 -10.217 1.00 24.11 O ATOM 0 H ASP A 50 -9.798 -7.749 -12.930 1.00 53.43 H new ATOM 0 HA ASP A 50 -11.041 -9.945 -11.391 1.00 21.04 H new ATOM 0 HB2 ASP A 50 -11.830 -7.573 -10.787 1.00 41.21 H new ATOM 0 HB3 ASP A 50 -12.428 -7.444 -12.429 1.00 41.21 H new ATOM 799 N PRO A 51 -11.379 -10.914 -13.778 1.00 74.42 N ATOM 800 CA PRO A 51 -11.710 -11.521 -15.087 1.00 14.15 C ATOM 801 C PRO A 51 -13.218 -11.623 -15.335 1.00 42.13 C ATOM 802 O PRO A 51 -13.648 -11.942 -16.444 1.00 22.14 O ATOM 803 CB PRO A 51 -11.112 -12.925 -14.959 1.00 54.14 C ATOM 804 CG PRO A 51 -11.193 -13.211 -13.505 1.00 53.31 C ATOM 805 CD PRO A 51 -10.906 -11.903 -12.824 1.00 71.02 C ATOM 0 HA PRO A 51 -11.328 -10.929 -15.919 1.00 14.15 H new ATOM 0 HB2 PRO A 51 -11.674 -13.654 -15.542 1.00 54.14 H new ATOM 0 HB3 PRO A 51 -10.083 -12.956 -15.316 1.00 54.14 H new ATOM 0 HG2 PRO A 51 -12.179 -13.587 -13.233 1.00 53.31 H new ATOM 0 HG3 PRO A 51 -10.470 -13.973 -13.214 1.00 53.31 H new ATOM 0 HD2 PRO A 51 -11.429 -11.823 -11.871 1.00 71.02 H new ATOM 0 HD3 PRO A 51 -9.843 -11.784 -12.616 1.00 71.02 H new ATOM 1207 N THR B 210 15.628 -4.844 -11.104 1.00 64.43 N ATOM 1208 CA THR B 210 14.781 -5.282 -10.051 1.00 3.22 C ATOM 1209 C THR B 210 13.329 -5.084 -10.441 1.00 10.54 C ATOM 1210 O THR B 210 12.893 -3.961 -10.728 1.00 14.41 O ATOM 1211 CB THR B 210 15.109 -4.511 -8.762 1.00 42.41 C ATOM 1212 OG1 THR B 210 16.519 -4.642 -8.510 1.00 42.31 O ATOM 1213 CG2 THR B 210 14.335 -5.078 -7.575 1.00 5.31 C ATOM 0 HA THR B 210 14.948 -6.344 -9.870 1.00 3.22 H new ATOM 0 HB THR B 210 14.827 -3.465 -8.886 1.00 42.41 H new ATOM 0 HG1 THR B 210 17.001 -4.684 -9.362 1.00 42.31 H new ATOM 0 HG21 THR B 210 14.585 -4.515 -6.676 1.00 5.31 H new ATOM 0 HG22 THR B 210 13.265 -4.999 -7.767 1.00 5.31 H new ATOM 0 HG23 THR B 210 14.602 -6.125 -7.433 1.00 5.31 H new ATOM 1221 N CYS B 211 12.611 -6.169 -10.489 1.00 55.14 N ATOM 1222 CA CYS B 211 11.217 -6.164 -10.817 1.00 71.01 C ATOM 1223 C CYS B 211 10.533 -7.082 -9.841 1.00 54.21 C ATOM 1224 O CYS B 211 11.126 -8.079 -9.424 1.00 64.24 O ATOM 1225 CB CYS B 211 11.004 -6.701 -12.237 1.00 75.34 C ATOM 1226 SG CYS B 211 12.001 -5.877 -13.545 1.00 14.43 S ATOM 0 H CYS B 211 12.986 -7.098 -10.298 1.00 55.14 H new ATOM 0 HA CYS B 211 10.818 -5.151 -10.766 1.00 71.01 H new ATOM 0 HB2 CYS B 211 11.235 -7.766 -12.244 1.00 75.34 H new ATOM 0 HB3 CYS B 211 9.949 -6.602 -12.491 1.00 75.34 H new ATOM 1231 N VAL B 212 9.332 -6.773 -9.457 1.00 33.42 N ATOM 1232 CA VAL B 212 8.624 -7.612 -8.530 1.00 54.43 C ATOM 1233 C VAL B 212 7.435 -8.267 -9.223 1.00 64.15 C ATOM 1234 O VAL B 212 6.816 -7.673 -10.104 1.00 41.34 O ATOM 1235 CB VAL B 212 8.197 -6.852 -7.236 1.00 72.44 C ATOM 1236 CG1 VAL B 212 9.421 -6.365 -6.467 1.00 31.51 C ATOM 1237 CG2 VAL B 212 7.272 -5.682 -7.545 1.00 1.12 C ATOM 0 H VAL B 212 8.820 -5.948 -9.769 1.00 33.42 H new ATOM 0 HA VAL B 212 9.308 -8.394 -8.200 1.00 54.43 H new ATOM 0 HB VAL B 212 7.646 -7.558 -6.615 1.00 72.44 H new ATOM 0 HG11 VAL B 212 9.100 -5.838 -5.569 1.00 31.51 H new ATOM 0 HG12 VAL B 212 10.038 -7.219 -6.186 1.00 31.51 H new ATOM 0 HG13 VAL B 212 10.001 -5.690 -7.096 1.00 31.51 H new ATOM 0 HG21 VAL B 212 6.998 -5.180 -6.617 1.00 1.12 H new ATOM 0 HG22 VAL B 212 7.783 -4.978 -8.202 1.00 1.12 H new ATOM 0 HG23 VAL B 212 6.372 -6.050 -8.038 1.00 1.12 H new ATOM 1247 N SER B 213 7.136 -9.480 -8.874 1.00 54.33 N ATOM 1248 CA SER B 213 6.060 -10.176 -9.523 1.00 4.12 C ATOM 1249 C SER B 213 5.264 -11.012 -8.547 1.00 53.03 C ATOM 1250 O SER B 213 5.815 -11.529 -7.567 1.00 24.15 O ATOM 1251 CB SER B 213 6.607 -11.057 -10.654 1.00 54.10 C ATOM 1252 OG SER B 213 7.630 -11.930 -10.199 1.00 15.53 O ATOM 0 H SER B 213 7.617 -10.010 -8.147 1.00 54.33 H new ATOM 0 HA SER B 213 5.387 -9.428 -9.942 1.00 4.12 H new ATOM 0 HB2 SER B 213 5.794 -11.643 -11.083 1.00 54.10 H new ATOM 0 HB3 SER B 213 6.998 -10.424 -11.450 1.00 54.10 H new ATOM 0 HG SER B 213 7.951 -12.475 -10.947 1.00 15.53 H new ATOM 1258 N LEU B 214 3.978 -11.122 -8.790 1.00 72.55 N ATOM 1259 CA LEU B 214 3.123 -11.985 -7.995 1.00 62.51 C ATOM 1260 C LEU B 214 2.294 -12.881 -8.856 1.00 20.13 C ATOM 1261 O LEU B 214 1.681 -12.449 -9.838 1.00 53.24 O ATOM 1262 CB LEU B 214 2.242 -11.234 -6.992 1.00 55.32 C ATOM 1263 CG LEU B 214 2.956 -10.604 -5.803 1.00 54.15 C ATOM 1264 CD1 LEU B 214 1.966 -9.901 -4.904 1.00 64.41 C ATOM 1265 CD2 LEU B 214 3.736 -11.650 -5.014 1.00 63.33 C ATOM 0 H LEU B 214 3.495 -10.622 -9.536 1.00 72.55 H new ATOM 0 HA LEU B 214 3.805 -12.596 -7.404 1.00 62.51 H new ATOM 0 HB2 LEU B 214 1.709 -10.448 -7.527 1.00 55.32 H new ATOM 0 HB3 LEU B 214 1.491 -11.926 -6.612 1.00 55.32 H new ATOM 0 HG LEU B 214 3.665 -9.870 -6.187 1.00 54.15 H new ATOM 0 HD11 LEU B 214 2.493 -9.457 -4.060 1.00 64.41 H new ATOM 0 HD12 LEU B 214 1.456 -9.119 -5.466 1.00 64.41 H new ATOM 0 HD13 LEU B 214 1.234 -10.620 -4.537 1.00 64.41 H new ATOM 0 HD21 LEU B 214 4.236 -11.172 -4.171 1.00 63.33 H new ATOM 0 HD22 LEU B 214 3.051 -12.413 -4.645 1.00 63.33 H new ATOM 0 HD23 LEU B 214 4.480 -12.114 -5.661 1.00 63.33 H new ATOM 1277 N THR B 215 2.263 -14.116 -8.483 1.00 72.02 N ATOM 1278 CA THR B 215 1.540 -15.106 -9.209 1.00 70.45 C ATOM 1279 C THR B 215 0.252 -15.427 -8.491 1.00 61.40 C ATOM 1280 O THR B 215 0.244 -15.661 -7.268 1.00 72.12 O ATOM 1281 CB THR B 215 2.389 -16.378 -9.481 1.00 2.33 C ATOM 1282 OG1 THR B 215 2.946 -16.894 -8.258 1.00 73.20 O ATOM 1283 CG2 THR B 215 3.510 -16.073 -10.467 1.00 74.51 C ATOM 0 H THR B 215 2.744 -14.471 -7.656 1.00 72.02 H new ATOM 0 HA THR B 215 1.297 -14.698 -10.190 1.00 70.45 H new ATOM 0 HB THR B 215 1.731 -17.132 -9.912 1.00 2.33 H new ATOM 0 HG1 THR B 215 3.475 -17.696 -8.452 1.00 73.20 H new ATOM 0 HG21 THR B 215 4.094 -16.976 -10.645 1.00 74.51 H new ATOM 0 HG22 THR B 215 3.083 -15.726 -11.408 1.00 74.51 H new ATOM 0 HG23 THR B 215 4.157 -15.298 -10.055 1.00 74.51 H new ATOM 1291 N THR B 216 -0.824 -15.412 -9.210 1.00 3.52 N ATOM 1292 CA THR B 216 -2.103 -15.595 -8.628 1.00 33.33 C ATOM 1293 C THR B 216 -3.018 -16.313 -9.606 1.00 33.24 C ATOM 1294 O THR B 216 -2.969 -16.043 -10.818 1.00 50.00 O ATOM 1295 CB THR B 216 -2.707 -14.211 -8.194 1.00 52.33 C ATOM 1296 OG1 THR B 216 -3.972 -14.380 -7.548 1.00 3.22 O ATOM 1297 CG2 THR B 216 -2.877 -13.265 -9.388 1.00 33.03 C ATOM 0 H THR B 216 -0.835 -15.272 -10.220 1.00 3.52 H new ATOM 0 HA THR B 216 -2.007 -16.212 -7.735 1.00 33.33 H new ATOM 0 HB THR B 216 -1.999 -13.768 -7.494 1.00 52.33 H new ATOM 0 HG1 THR B 216 -4.325 -13.504 -7.286 1.00 3.22 H new ATOM 0 HG21 THR B 216 -3.297 -12.319 -9.046 1.00 33.03 H new ATOM 0 HG22 THR B 216 -1.907 -13.085 -9.850 1.00 33.03 H new ATOM 0 HG23 THR B 216 -3.548 -13.717 -10.118 1.00 33.03 H new ATOM 1305 N GLN B 217 -3.807 -17.258 -9.078 1.00 11.30 N ATOM 1306 CA GLN B 217 -4.798 -18.004 -9.846 1.00 61.13 C ATOM 1307 C GLN B 217 -4.093 -18.783 -11.008 1.00 4.52 C ATOM 1308 O GLN B 217 -2.886 -19.040 -10.947 1.00 53.33 O ATOM 1309 CB GLN B 217 -5.891 -16.991 -10.334 1.00 20.44 C ATOM 1310 CG GLN B 217 -7.205 -17.584 -10.865 1.00 22.20 C ATOM 1311 CD GLN B 217 -7.863 -18.532 -9.880 1.00 22.21 C ATOM 1312 OE1 GLN B 217 -7.709 -18.396 -8.656 1.00 21.41 O ATOM 1313 NE2 GLN B 217 -8.606 -19.471 -10.396 1.00 55.24 N ATOM 0 H GLN B 217 -3.770 -17.525 -8.094 1.00 11.30 H new ATOM 0 HA GLN B 217 -5.295 -18.762 -9.241 1.00 61.13 H new ATOM 0 HB2 GLN B 217 -6.131 -16.326 -9.504 1.00 20.44 H new ATOM 0 HB3 GLN B 217 -5.455 -16.375 -11.121 1.00 20.44 H new ATOM 0 HG2 GLN B 217 -7.896 -16.774 -11.099 1.00 22.20 H new ATOM 0 HG3 GLN B 217 -7.009 -18.114 -11.797 1.00 22.20 H new ATOM 0 HE21 GLN B 217 -8.704 -19.545 -11.409 1.00 55.24 H new ATOM 0 HE22 GLN B 217 -9.089 -20.131 -9.787 1.00 55.24 H new ATOM 1322 N ARG B 218 -4.842 -19.191 -11.991 1.00 43.15 N ATOM 1323 CA ARG B 218 -4.332 -19.933 -13.137 1.00 43.14 C ATOM 1324 C ARG B 218 -5.176 -19.545 -14.344 1.00 43.23 C ATOM 1325 O ARG B 218 -5.310 -20.310 -15.306 1.00 33.53 O ATOM 1326 CB ARG B 218 -4.528 -21.431 -12.862 1.00 22.31 C ATOM 1327 CG ARG B 218 -5.995 -21.795 -12.643 1.00 22.04 C ATOM 1328 CD ARG B 218 -6.207 -23.267 -12.420 1.00 63.53 C ATOM 1329 NE ARG B 218 -7.633 -23.562 -12.286 1.00 51.31 N ATOM 1330 CZ ARG B 218 -8.179 -24.761 -12.383 1.00 42.33 C ATOM 1331 NH1 ARG B 218 -7.419 -25.828 -12.511 1.00 33.42 N ATOM 1332 NH2 ARG B 218 -9.493 -24.890 -12.331 1.00 43.14 N ATOM 0 H ARG B 218 -5.847 -19.020 -12.031 1.00 43.15 H new ATOM 0 HA ARG B 218 -3.278 -19.717 -13.314 1.00 43.14 H new ATOM 0 HB2 ARG B 218 -4.135 -22.006 -13.700 1.00 22.31 H new ATOM 0 HB3 ARG B 218 -3.951 -21.715 -11.982 1.00 22.31 H new ATOM 0 HG2 ARG B 218 -6.376 -21.244 -11.783 1.00 22.04 H new ATOM 0 HG3 ARG B 218 -6.576 -21.477 -13.509 1.00 22.04 H new ATOM 0 HD2 ARG B 218 -5.789 -23.831 -13.254 1.00 63.53 H new ATOM 0 HD3 ARG B 218 -5.677 -23.585 -11.522 1.00 63.53 H new ATOM 0 HE ARG B 218 -8.258 -22.777 -12.102 1.00 51.31 H new ATOM 0 HH11 ARG B 218 -6.404 -25.731 -12.536 1.00 33.42 H new ATOM 0 HH12 ARG B 218 -7.845 -26.752 -12.586 1.00 33.42 H new ATOM 0 HH21 ARG B 218 -10.082 -24.065 -12.216 1.00 43.14 H new ATOM 0 HH22 ARG B 218 -9.918 -25.814 -12.406 1.00 43.14 H new ATOM 1346 N LEU B 219 -5.672 -18.335 -14.321 1.00 2.12 N ATOM 1347 CA LEU B 219 -6.648 -17.903 -15.295 1.00 73.23 C ATOM 1348 C LEU B 219 -6.030 -17.595 -16.657 1.00 14.21 C ATOM 1349 O LEU B 219 -4.981 -16.971 -16.743 1.00 32.12 O ATOM 1350 CB LEU B 219 -7.508 -16.723 -14.728 1.00 14.04 C ATOM 1351 CG LEU B 219 -6.780 -15.457 -14.168 1.00 64.32 C ATOM 1352 CD1 LEU B 219 -6.114 -14.619 -15.252 1.00 34.13 C ATOM 1353 CD2 LEU B 219 -7.740 -14.607 -13.362 1.00 72.42 C ATOM 0 H LEU B 219 -5.416 -17.625 -13.635 1.00 2.12 H new ATOM 0 HA LEU B 219 -7.324 -18.738 -15.478 1.00 73.23 H new ATOM 0 HB2 LEU B 219 -8.179 -16.393 -15.522 1.00 14.04 H new ATOM 0 HB3 LEU B 219 -8.132 -17.124 -13.929 1.00 14.04 H new ATOM 0 HG LEU B 219 -5.982 -15.821 -13.520 1.00 64.32 H new ATOM 0 HD11 LEU B 219 -5.627 -13.756 -14.797 1.00 34.13 H new ATOM 0 HD12 LEU B 219 -5.371 -15.222 -15.773 1.00 34.13 H new ATOM 0 HD13 LEU B 219 -6.867 -14.278 -15.962 1.00 34.13 H new ATOM 0 HD21 LEU B 219 -7.217 -13.730 -12.980 1.00 72.42 H new ATOM 0 HD22 LEU B 219 -8.566 -14.288 -13.998 1.00 72.42 H new ATOM 0 HD23 LEU B 219 -8.129 -15.190 -12.527 1.00 72.42 H new ATOM 1365 N PRO B 220 -6.646 -18.095 -17.741 1.00 11.25 N ATOM 1366 CA PRO B 220 -6.179 -17.823 -19.087 1.00 55.42 C ATOM 1367 C PRO B 220 -6.327 -16.350 -19.418 1.00 44.52 C ATOM 1368 O PRO B 220 -7.312 -15.693 -19.015 1.00 41.21 O ATOM 1369 CB PRO B 220 -7.097 -18.660 -19.989 1.00 1.43 C ATOM 1370 CG PRO B 220 -7.757 -19.637 -19.081 1.00 23.03 C ATOM 1371 CD PRO B 220 -7.825 -18.977 -17.740 1.00 45.15 C ATOM 0 HA PRO B 220 -5.125 -18.070 -19.214 1.00 55.42 H new ATOM 0 HB2 PRO B 220 -7.832 -18.032 -20.492 1.00 1.43 H new ATOM 0 HB3 PRO B 220 -6.527 -19.169 -20.766 1.00 1.43 H new ATOM 0 HG2 PRO B 220 -8.754 -19.892 -19.441 1.00 23.03 H new ATOM 0 HG3 PRO B 220 -7.190 -20.566 -19.030 1.00 23.03 H new ATOM 0 HD2 PRO B 220 -8.750 -18.414 -17.615 1.00 45.15 H new ATOM 0 HD3 PRO B 220 -7.783 -19.705 -16.930 1.00 45.15 H new ATOM 1379 N VAL B 221 -5.383 -15.829 -20.124 1.00 50.34 N ATOM 1380 CA VAL B 221 -5.408 -14.458 -20.487 1.00 23.24 C ATOM 1381 C VAL B 221 -5.499 -14.376 -22.014 1.00 12.31 C ATOM 1382 O VAL B 221 -5.201 -15.357 -22.703 1.00 74.00 O ATOM 1383 CB VAL B 221 -4.149 -13.723 -19.926 1.00 64.41 C ATOM 1384 CG1 VAL B 221 -2.863 -14.167 -20.599 1.00 11.43 C ATOM 1385 CG2 VAL B 221 -4.311 -12.221 -19.939 1.00 50.30 C ATOM 0 H VAL B 221 -4.572 -16.344 -20.465 1.00 50.34 H new ATOM 0 HA VAL B 221 -6.274 -13.957 -20.054 1.00 23.24 H new ATOM 0 HB VAL B 221 -4.064 -14.021 -18.881 1.00 64.41 H new ATOM 0 HG11 VAL B 221 -2.021 -13.624 -20.170 1.00 11.43 H new ATOM 0 HG12 VAL B 221 -2.722 -15.237 -20.444 1.00 11.43 H new ATOM 0 HG13 VAL B 221 -2.921 -13.960 -21.668 1.00 11.43 H new ATOM 0 HG21 VAL B 221 -3.410 -11.754 -19.540 1.00 50.30 H new ATOM 0 HG22 VAL B 221 -4.473 -11.881 -20.962 1.00 50.30 H new ATOM 0 HG23 VAL B 221 -5.167 -11.942 -19.324 1.00 50.30 H new ATOM 1395 N SER B 222 -5.933 -13.256 -22.544 1.00 33.33 N ATOM 1396 CA SER B 222 -6.092 -13.126 -23.981 1.00 50.43 C ATOM 1397 C SER B 222 -4.737 -12.981 -24.701 1.00 45.32 C ATOM 1398 O SER B 222 -4.627 -13.250 -25.893 1.00 73.32 O ATOM 1399 CB SER B 222 -7.045 -11.982 -24.296 1.00 2.11 C ATOM 1400 OG SER B 222 -8.305 -12.208 -23.659 1.00 45.31 O ATOM 0 H SER B 222 -6.182 -12.424 -22.009 1.00 33.33 H new ATOM 0 HA SER B 222 -6.533 -14.046 -24.365 1.00 50.43 H new ATOM 0 HB2 SER B 222 -6.619 -11.038 -23.955 1.00 2.11 H new ATOM 0 HB3 SER B 222 -7.183 -11.898 -25.374 1.00 2.11 H new ATOM 0 HG SER B 222 -9.011 -12.255 -24.337 1.00 45.31 H new ATOM 1406 N ARG B 223 -3.721 -12.565 -23.949 1.00 22.04 N ATOM 1407 CA ARG B 223 -2.334 -12.460 -24.413 1.00 4.41 C ATOM 1408 C ARG B 223 -1.502 -11.912 -23.289 1.00 13.05 C ATOM 1409 O ARG B 223 -2.047 -11.494 -22.260 1.00 33.23 O ATOM 1410 CB ARG B 223 -2.160 -11.526 -25.626 1.00 10.23 C ATOM 1411 CG ARG B 223 -2.583 -10.097 -25.380 1.00 2.53 C ATOM 1412 CD ARG B 223 -2.152 -9.199 -26.515 1.00 5.33 C ATOM 1413 NE ARG B 223 -0.681 -9.070 -26.595 1.00 32.42 N ATOM 1414 CZ ARG B 223 -0.025 -8.356 -27.527 1.00 32.51 C ATOM 1415 NH1 ARG B 223 -0.696 -7.725 -28.488 1.00 1.41 N ATOM 1416 NH2 ARG B 223 1.301 -8.280 -27.493 1.00 53.11 N ATOM 0 H ARG B 223 -3.839 -12.284 -22.976 1.00 22.04 H new ATOM 0 HA ARG B 223 -2.024 -13.459 -24.721 1.00 4.41 H new ATOM 0 HB2 ARG B 223 -1.113 -11.535 -25.929 1.00 10.23 H new ATOM 0 HB3 ARG B 223 -2.737 -11.924 -26.461 1.00 10.23 H new ATOM 0 HG2 ARG B 223 -3.666 -10.050 -25.266 1.00 2.53 H new ATOM 0 HG3 ARG B 223 -2.148 -9.742 -24.446 1.00 2.53 H new ATOM 0 HD2 ARG B 223 -2.532 -9.597 -27.456 1.00 5.33 H new ATOM 0 HD3 ARG B 223 -2.595 -8.212 -26.384 1.00 5.33 H new ATOM 0 HE ARG B 223 -0.124 -9.557 -25.893 1.00 32.42 H new ATOM 0 HH11 ARG B 223 -1.714 -7.781 -28.521 1.00 1.41 H new ATOM 0 HH12 ARG B 223 -0.192 -7.185 -29.192 1.00 1.41 H new ATOM 0 HH21 ARG B 223 1.821 -8.763 -26.760 1.00 53.11 H new ATOM 0 HH22 ARG B 223 1.799 -7.739 -28.200 1.00 53.11 H new ATOM 1430 N ILE B 224 -0.218 -11.893 -23.467 1.00 71.43 N ATOM 1431 CA ILE B 224 0.665 -11.272 -22.520 1.00 71.22 C ATOM 1432 C ILE B 224 0.936 -9.890 -23.090 1.00 22.22 C ATOM 1433 O ILE B 224 1.187 -9.750 -24.293 1.00 33.30 O ATOM 1434 CB ILE B 224 2.016 -12.051 -22.396 1.00 3.11 C ATOM 1435 CG1 ILE B 224 1.779 -13.574 -22.193 1.00 23.13 C ATOM 1436 CG2 ILE B 224 2.839 -11.502 -21.230 1.00 30.33 C ATOM 1437 CD1 ILE B 224 1.008 -13.944 -20.955 1.00 43.00 C ATOM 0 H ILE B 224 0.251 -12.307 -24.272 1.00 71.43 H new ATOM 0 HA ILE B 224 0.220 -11.250 -21.525 1.00 71.22 H new ATOM 0 HB ILE B 224 2.563 -11.910 -23.328 1.00 3.11 H new ATOM 0 HG12 ILE B 224 1.247 -13.961 -23.062 1.00 23.13 H new ATOM 0 HG13 ILE B 224 2.747 -14.075 -22.162 1.00 23.13 H new ATOM 0 HG21 ILE B 224 3.776 -12.053 -21.155 1.00 30.33 H new ATOM 0 HG22 ILE B 224 3.051 -10.446 -21.400 1.00 30.33 H new ATOM 0 HG23 ILE B 224 2.277 -11.615 -20.303 1.00 30.33 H new ATOM 0 HD11 ILE B 224 0.897 -15.027 -20.906 1.00 43.00 H new ATOM 0 HD12 ILE B 224 1.545 -13.594 -20.074 1.00 43.00 H new ATOM 0 HD13 ILE B 224 0.023 -13.479 -20.987 1.00 43.00 H new ATOM 1449 N LYS B 225 0.808 -8.887 -22.280 1.00 61.44 N ATOM 1450 CA LYS B 225 1.022 -7.539 -22.729 1.00 73.11 C ATOM 1451 C LYS B 225 1.637 -6.771 -21.609 1.00 61.44 C ATOM 1452 O LYS B 225 1.553 -7.207 -20.436 1.00 25.30 O ATOM 1453 CB LYS B 225 -0.288 -6.795 -23.204 1.00 25.42 C ATOM 1454 CG LYS B 225 -1.282 -6.309 -22.112 1.00 10.40 C ATOM 1455 CD LYS B 225 -2.406 -7.282 -21.749 1.00 13.12 C ATOM 1456 CE LYS B 225 -1.912 -8.574 -21.195 1.00 62.34 C ATOM 1457 NZ LYS B 225 -3.000 -9.423 -20.696 1.00 10.41 N ATOM 0 H LYS B 225 0.554 -8.973 -21.296 1.00 61.44 H new ATOM 0 HA LYS B 225 1.670 -7.594 -23.604 1.00 73.11 H new ATOM 0 HB2 LYS B 225 0.014 -5.928 -23.792 1.00 25.42 H new ATOM 0 HB3 LYS B 225 -0.828 -7.463 -23.875 1.00 25.42 H new ATOM 0 HG2 LYS B 225 -0.716 -6.084 -21.208 1.00 10.40 H new ATOM 0 HG3 LYS B 225 -1.731 -5.374 -22.447 1.00 10.40 H new ATOM 0 HD2 LYS B 225 -3.064 -6.810 -21.020 1.00 13.12 H new ATOM 0 HD3 LYS B 225 -3.006 -7.481 -22.637 1.00 13.12 H new ATOM 0 HE2 LYS B 225 -1.362 -9.111 -21.968 1.00 62.34 H new ATOM 0 HE3 LYS B 225 -1.211 -8.374 -20.385 1.00 62.34 H new ATOM 0 HZ1 LYS B 225 -2.612 -10.336 -20.384 1.00 10.41 H new ATOM 0 HZ2 LYS B 225 -3.467 -8.953 -19.895 1.00 10.41 H new ATOM 0 HZ3 LYS B 225 -3.692 -9.582 -21.456 1.00 10.41 H new ATOM 1471 N THR B 226 2.225 -5.663 -21.931 1.00 54.32 N ATOM 1472 CA THR B 226 2.796 -4.817 -20.957 1.00 2.14 C ATOM 1473 C THR B 226 2.167 -3.460 -20.990 1.00 11.41 C ATOM 1474 O THR B 226 1.695 -3.003 -22.027 1.00 73.43 O ATOM 1475 CB THR B 226 4.325 -4.668 -21.101 1.00 3.14 C ATOM 1476 OG1 THR B 226 4.678 -4.334 -22.450 1.00 44.45 O ATOM 1477 CG2 THR B 226 5.061 -5.908 -20.652 1.00 11.53 C ATOM 0 H THR B 226 2.318 -5.325 -22.889 1.00 54.32 H new ATOM 0 HA THR B 226 2.599 -5.297 -19.999 1.00 2.14 H new ATOM 0 HB THR B 226 4.632 -3.853 -20.446 1.00 3.14 H new ATOM 0 HG1 THR B 226 5.651 -4.242 -22.520 1.00 44.45 H new ATOM 0 HG21 THR B 226 6.134 -5.757 -20.771 1.00 11.53 H new ATOM 0 HG22 THR B 226 4.836 -6.105 -19.604 1.00 11.53 H new ATOM 0 HG23 THR B 226 4.744 -6.758 -21.257 1.00 11.53 H new ATOM 1485 N TYR B 227 2.113 -2.855 -19.858 1.00 65.12 N ATOM 1486 CA TYR B 227 1.699 -1.498 -19.738 1.00 32.24 C ATOM 1487 C TYR B 227 2.822 -0.730 -19.162 1.00 72.02 C ATOM 1488 O TYR B 227 3.344 -1.098 -18.115 1.00 54.13 O ATOM 1489 CB TYR B 227 0.449 -1.362 -18.869 1.00 13.20 C ATOM 1490 CG TYR B 227 -0.774 -1.946 -19.506 1.00 15.22 C ATOM 1491 CD1 TYR B 227 -1.089 -3.273 -19.345 1.00 70.34 C ATOM 1492 CD2 TYR B 227 -1.603 -1.162 -20.293 1.00 42.00 C ATOM 1493 CE1 TYR B 227 -2.192 -3.811 -19.942 1.00 74.12 C ATOM 1494 CE2 TYR B 227 -2.719 -1.695 -20.895 1.00 43.21 C ATOM 1495 CZ TYR B 227 -3.007 -3.024 -20.719 1.00 2.41 C ATOM 1496 OH TYR B 227 -4.116 -3.575 -21.325 1.00 72.25 O ATOM 0 H TYR B 227 2.359 -3.295 -18.971 1.00 65.12 H new ATOM 0 HA TYR B 227 1.437 -1.110 -20.722 1.00 32.24 H new ATOM 0 HB2 TYR B 227 0.623 -1.854 -17.912 1.00 13.20 H new ATOM 0 HB3 TYR B 227 0.273 -0.307 -18.658 1.00 13.20 H new ATOM 0 HD1 TYR B 227 -0.454 -3.900 -18.737 1.00 70.34 H new ATOM 0 HD2 TYR B 227 -1.369 -0.117 -20.436 1.00 42.00 H new ATOM 0 HE1 TYR B 227 -2.424 -4.857 -19.803 1.00 74.12 H new ATOM 0 HE2 TYR B 227 -3.362 -1.073 -21.500 1.00 43.21 H new ATOM 0 HH TYR B 227 -4.586 -2.884 -21.837 1.00 72.25 H new ATOM 1506 N THR B 228 3.239 0.285 -19.840 1.00 23.42 N ATOM 1507 CA THR B 228 4.284 1.097 -19.343 1.00 25.11 C ATOM 1508 C THR B 228 3.710 2.427 -18.930 1.00 1.33 C ATOM 1509 O THR B 228 3.095 3.137 -19.729 1.00 63.42 O ATOM 1510 CB THR B 228 5.409 1.276 -20.381 1.00 31.53 C ATOM 1511 OG1 THR B 228 5.851 -0.029 -20.786 1.00 74.14 O ATOM 1512 CG2 THR B 228 6.597 2.032 -19.776 1.00 51.40 C ATOM 0 H THR B 228 2.866 0.569 -20.746 1.00 23.42 H new ATOM 0 HA THR B 228 4.733 0.608 -18.479 1.00 25.11 H new ATOM 0 HB THR B 228 5.029 1.848 -21.227 1.00 31.53 H new ATOM 0 HG1 THR B 228 6.567 0.059 -21.449 1.00 74.14 H new ATOM 0 HG21 THR B 228 7.377 2.145 -20.528 1.00 51.40 H new ATOM 0 HG22 THR B 228 6.270 3.016 -19.442 1.00 51.40 H new ATOM 0 HG23 THR B 228 6.990 1.473 -18.927 1.00 51.40 H new ATOM 1520 N ILE B 229 3.878 2.731 -17.693 1.00 15.22 N ATOM 1521 CA ILE B 229 3.392 3.938 -17.132 1.00 73.03 C ATOM 1522 C ILE B 229 4.557 4.875 -16.964 1.00 11.21 C ATOM 1523 O ILE B 229 5.622 4.471 -16.492 1.00 12.23 O ATOM 1524 CB ILE B 229 2.740 3.682 -15.756 1.00 53.55 C ATOM 1525 CG1 ILE B 229 1.630 2.622 -15.881 1.00 75.52 C ATOM 1526 CG2 ILE B 229 2.179 4.988 -15.223 1.00 53.02 C ATOM 1527 CD1 ILE B 229 1.053 2.120 -14.585 1.00 0.14 C ATOM 0 H ILE B 229 4.369 2.133 -17.028 1.00 15.22 H new ATOM 0 HA ILE B 229 2.637 4.367 -17.791 1.00 73.03 H new ATOM 0 HB ILE B 229 3.489 3.304 -15.060 1.00 53.55 H new ATOM 0 HG12 ILE B 229 0.820 3.040 -16.479 1.00 75.52 H new ATOM 0 HG13 ILE B 229 2.028 1.771 -16.433 1.00 75.52 H new ATOM 0 HG21 ILE B 229 1.717 4.816 -14.251 1.00 53.02 H new ATOM 0 HG22 ILE B 229 2.985 5.714 -15.118 1.00 53.02 H new ATOM 0 HG23 ILE B 229 1.432 5.373 -15.917 1.00 53.02 H new ATOM 0 HD11 ILE B 229 0.281 1.379 -14.793 1.00 0.14 H new ATOM 0 HD12 ILE B 229 1.843 1.664 -13.988 1.00 0.14 H new ATOM 0 HD13 ILE B 229 0.617 2.953 -14.034 1.00 0.14 H new ATOM 1539 N THR B 230 4.364 6.085 -17.366 1.00 23.01 N ATOM 1540 CA THR B 230 5.362 7.100 -17.270 1.00 71.14 C ATOM 1541 C THR B 230 4.756 8.355 -16.677 1.00 61.01 C ATOM 1542 O THR B 230 4.056 9.113 -17.369 1.00 62.52 O ATOM 1543 CB THR B 230 6.034 7.398 -18.644 1.00 0.42 C ATOM 1544 OG1 THR B 230 5.037 7.630 -19.654 1.00 11.05 O ATOM 1545 CG2 THR B 230 6.941 6.255 -19.080 1.00 24.22 C ATOM 0 H THR B 230 3.489 6.405 -17.780 1.00 23.01 H new ATOM 0 HA THR B 230 6.151 6.736 -16.612 1.00 71.14 H new ATOM 0 HB THR B 230 6.642 8.295 -18.521 1.00 0.42 H new ATOM 0 HG1 THR B 230 4.331 8.205 -19.291 1.00 11.05 H new ATOM 0 HG21 THR B 230 7.393 6.496 -20.042 1.00 24.22 H new ATOM 0 HG22 THR B 230 7.725 6.109 -18.337 1.00 24.22 H new ATOM 0 HG23 THR B 230 6.355 5.341 -19.174 1.00 24.22 H new ATOM 1553 N GLU B 231 4.956 8.555 -15.393 1.00 22.21 N ATOM 1554 CA GLU B 231 4.391 9.698 -14.749 1.00 70.24 C ATOM 1555 C GLU B 231 5.264 10.296 -13.658 1.00 52.51 C ATOM 1556 O GLU B 231 5.493 9.702 -12.615 1.00 51.35 O ATOM 1557 CB GLU B 231 2.905 9.474 -14.368 1.00 31.32 C ATOM 1558 CG GLU B 231 2.528 8.257 -13.512 1.00 10.43 C ATOM 1559 CD GLU B 231 2.852 8.386 -12.051 1.00 5.15 C ATOM 1560 OE1 GLU B 231 2.466 9.408 -11.435 1.00 53.11 O ATOM 1561 OE2 GLU B 231 3.409 7.462 -11.472 1.00 23.13 O ATOM 0 H GLU B 231 5.502 7.942 -14.787 1.00 22.21 H new ATOM 0 HA GLU B 231 4.374 10.496 -15.491 1.00 70.24 H new ATOM 0 HB2 GLU B 231 2.563 10.365 -13.841 1.00 31.32 H new ATOM 0 HB3 GLU B 231 2.334 9.413 -15.295 1.00 31.32 H new ATOM 0 HG2 GLU B 231 1.459 8.074 -13.617 1.00 10.43 H new ATOM 0 HG3 GLU B 231 3.041 7.380 -13.907 1.00 10.43 H new ATOM 1568 N GLY B 232 5.781 11.473 -13.943 1.00 45.24 N ATOM 1569 CA GLY B 232 6.631 12.174 -13.018 1.00 32.02 C ATOM 1570 C GLY B 232 8.031 11.614 -12.999 1.00 61.25 C ATOM 1571 O GLY B 232 8.580 11.363 -11.923 1.00 21.40 O ATOM 0 H GLY B 232 5.621 11.965 -14.822 1.00 45.24 H new ATOM 0 HA2 GLY B 232 6.667 13.230 -13.287 1.00 32.02 H new ATOM 0 HA3 GLY B 232 6.204 12.115 -12.017 1.00 32.02 H new ATOM 1575 N SER B 233 8.612 11.411 -14.199 1.00 35.34 N ATOM 1576 CA SER B 233 9.958 10.837 -14.343 1.00 2.31 C ATOM 1577 C SER B 233 9.979 9.453 -13.693 1.00 70.15 C ATOM 1578 O SER B 233 10.818 9.148 -12.842 1.00 63.14 O ATOM 1579 CB SER B 233 11.005 11.765 -13.706 1.00 61.04 C ATOM 1580 OG SER B 233 10.975 13.057 -14.306 1.00 12.44 O ATOM 0 H SER B 233 8.163 11.639 -15.086 1.00 35.34 H new ATOM 0 HA SER B 233 10.207 10.737 -15.400 1.00 2.31 H new ATOM 0 HB2 SER B 233 10.816 11.853 -12.636 1.00 61.04 H new ATOM 0 HB3 SER B 233 11.998 11.330 -13.819 1.00 61.04 H new ATOM 0 HG SER B 233 11.648 13.630 -13.883 1.00 12.44 H new ATOM 1586 N LEU B 234 9.053 8.633 -14.117 1.00 3.11 N ATOM 1587 CA LEU B 234 8.820 7.346 -13.523 1.00 2.25 C ATOM 1588 C LEU B 234 8.416 6.351 -14.605 1.00 21.52 C ATOM 1589 O LEU B 234 7.660 6.703 -15.497 1.00 60.11 O ATOM 1590 CB LEU B 234 7.723 7.558 -12.420 1.00 74.04 C ATOM 1591 CG LEU B 234 7.095 6.360 -11.690 1.00 0.32 C ATOM 1592 CD1 LEU B 234 6.079 5.627 -12.564 1.00 31.25 C ATOM 1593 CD2 LEU B 234 8.166 5.414 -11.201 1.00 12.14 C ATOM 0 H LEU B 234 8.431 8.846 -14.897 1.00 3.11 H new ATOM 0 HA LEU B 234 9.710 6.926 -13.056 1.00 2.25 H new ATOM 0 HB2 LEU B 234 8.157 8.205 -11.658 1.00 74.04 H new ATOM 0 HB3 LEU B 234 6.907 8.114 -12.883 1.00 74.04 H new ATOM 0 HG LEU B 234 6.555 6.750 -10.827 1.00 0.32 H new ATOM 0 HD11 LEU B 234 5.660 4.788 -12.009 1.00 31.25 H new ATOM 0 HD12 LEU B 234 5.279 6.312 -12.845 1.00 31.25 H new ATOM 0 HD13 LEU B 234 6.572 5.257 -13.463 1.00 31.25 H new ATOM 0 HD21 LEU B 234 7.701 4.573 -10.687 1.00 12.14 H new ATOM 0 HD22 LEU B 234 8.743 5.047 -12.050 1.00 12.14 H new ATOM 0 HD23 LEU B 234 8.828 5.939 -10.512 1.00 12.14 H new ATOM 1605 N ARG B 235 8.960 5.127 -14.550 1.00 0.43 N ATOM 1606 CA ARG B 235 8.609 4.100 -15.526 1.00 42.01 C ATOM 1607 C ARG B 235 8.179 2.829 -14.869 1.00 63.34 C ATOM 1608 O ARG B 235 8.972 2.138 -14.282 1.00 10.04 O ATOM 1609 CB ARG B 235 9.771 3.784 -16.431 1.00 34.43 C ATOM 1610 CG ARG B 235 10.162 4.884 -17.356 1.00 25.32 C ATOM 1611 CD ARG B 235 11.392 4.508 -18.111 1.00 12.34 C ATOM 1612 NE ARG B 235 11.244 3.261 -18.896 1.00 23.44 N ATOM 1613 CZ ARG B 235 11.973 2.977 -19.986 1.00 62.23 C ATOM 1614 NH1 ARG B 235 12.730 3.917 -20.526 1.00 33.42 N ATOM 1615 NH2 ARG B 235 11.906 1.767 -20.550 1.00 22.03 N ATOM 0 H ARG B 235 9.637 4.831 -13.846 1.00 0.43 H new ATOM 0 HA ARG B 235 7.781 4.508 -16.106 1.00 42.01 H new ATOM 0 HB2 ARG B 235 10.632 3.523 -15.815 1.00 34.43 H new ATOM 0 HB3 ARG B 235 9.523 2.902 -17.022 1.00 34.43 H new ATOM 0 HG2 ARG B 235 9.348 5.091 -18.051 1.00 25.32 H new ATOM 0 HG3 ARG B 235 10.339 5.799 -16.791 1.00 25.32 H new ATOM 0 HD2 ARG B 235 11.659 5.323 -18.784 1.00 12.34 H new ATOM 0 HD3 ARG B 235 12.218 4.391 -17.409 1.00 12.34 H new ATOM 0 HE ARG B 235 10.549 2.580 -18.591 1.00 23.44 H new ATOM 0 HH11 ARG B 235 12.757 4.850 -20.114 1.00 33.42 H new ATOM 0 HH12 ARG B 235 13.287 3.709 -21.355 1.00 33.42 H new ATOM 0 HH21 ARG B 235 11.297 1.052 -20.152 1.00 22.03 H new ATOM 0 HH22 ARG B 235 12.463 1.559 -21.379 1.00 22.03 H new ATOM 1629 N CYS B 236 6.954 2.517 -15.013 1.00 54.53 N ATOM 1630 CA CYS B 236 6.390 1.284 -14.481 1.00 44.12 C ATOM 1631 C CYS B 236 5.970 0.384 -15.642 1.00 34.14 C ATOM 1632 O CYS B 236 5.327 0.836 -16.557 1.00 44.32 O ATOM 1633 CB CYS B 236 5.173 1.579 -13.580 1.00 51.43 C ATOM 1634 SG CYS B 236 5.467 2.349 -11.938 1.00 32.24 S ATOM 0 H CYS B 236 6.280 3.101 -15.507 1.00 54.53 H new ATOM 0 HA CYS B 236 7.146 0.783 -13.876 1.00 44.12 H new ATOM 0 HB2 CYS B 236 4.499 2.230 -14.136 1.00 51.43 H new ATOM 0 HB3 CYS B 236 4.646 0.639 -13.416 1.00 51.43 H new ATOM 1639 N VAL B 237 6.350 -0.871 -15.607 1.00 33.10 N ATOM 1640 CA VAL B 237 6.008 -1.823 -16.654 1.00 14.21 C ATOM 1641 C VAL B 237 5.313 -3.013 -16.023 1.00 33.35 C ATOM 1642 O VAL B 237 5.837 -3.619 -15.077 1.00 73.00 O ATOM 1643 CB VAL B 237 7.263 -2.338 -17.423 1.00 25.43 C ATOM 1644 CG1 VAL B 237 6.866 -3.203 -18.607 1.00 65.42 C ATOM 1645 CG2 VAL B 237 8.165 -1.198 -17.852 1.00 51.54 C ATOM 0 H VAL B 237 6.908 -1.269 -14.851 1.00 33.10 H new ATOM 0 HA VAL B 237 5.363 -1.311 -17.367 1.00 14.21 H new ATOM 0 HB VAL B 237 7.834 -2.960 -16.733 1.00 25.43 H new ATOM 0 HG11 VAL B 237 7.762 -3.547 -19.123 1.00 65.42 H new ATOM 0 HG12 VAL B 237 6.297 -4.064 -18.254 1.00 65.42 H new ATOM 0 HG13 VAL B 237 6.253 -2.620 -19.294 1.00 65.42 H new ATOM 0 HG21 VAL B 237 9.028 -1.598 -18.385 1.00 51.54 H new ATOM 0 HG22 VAL B 237 7.613 -0.525 -18.508 1.00 51.54 H new ATOM 0 HG23 VAL B 237 8.503 -0.651 -16.972 1.00 51.54 H new ATOM 1655 N ILE B 238 4.154 -3.332 -16.522 1.00 44.34 N ATOM 1656 CA ILE B 238 3.354 -4.410 -15.987 1.00 44.31 C ATOM 1657 C ILE B 238 3.156 -5.505 -17.022 1.00 54.41 C ATOM 1658 O ILE B 238 2.723 -5.230 -18.125 1.00 31.25 O ATOM 1659 CB ILE B 238 1.968 -3.882 -15.582 1.00 63.22 C ATOM 1660 CG1 ILE B 238 2.114 -2.754 -14.571 1.00 2.51 C ATOM 1661 CG2 ILE B 238 1.089 -5.003 -15.019 1.00 32.21 C ATOM 1662 CD1 ILE B 238 0.815 -2.118 -14.221 1.00 25.15 C ATOM 0 H ILE B 238 3.730 -2.853 -17.316 1.00 44.34 H new ATOM 0 HA ILE B 238 3.879 -4.815 -15.122 1.00 44.31 H new ATOM 0 HB ILE B 238 1.476 -3.494 -16.474 1.00 63.22 H new ATOM 0 HG12 ILE B 238 2.578 -3.143 -13.665 1.00 2.51 H new ATOM 0 HG13 ILE B 238 2.787 -1.997 -14.974 1.00 2.51 H new ATOM 0 HG21 ILE B 238 0.116 -4.598 -14.742 1.00 32.21 H new ATOM 0 HG22 ILE B 238 0.958 -5.777 -15.775 1.00 32.21 H new ATOM 0 HG23 ILE B 238 1.567 -5.433 -14.139 1.00 32.21 H new ATOM 0 HD11 ILE B 238 0.983 -1.321 -13.496 1.00 25.15 H new ATOM 0 HD12 ILE B 238 0.360 -1.701 -15.120 1.00 25.15 H new ATOM 0 HD13 ILE B 238 0.148 -2.865 -13.790 1.00 25.15 H new ATOM 1674 N PHE B 239 3.474 -6.717 -16.651 1.00 11.22 N ATOM 1675 CA PHE B 239 3.266 -7.887 -17.491 1.00 12.21 C ATOM 1676 C PHE B 239 2.074 -8.639 -16.977 1.00 41.42 C ATOM 1677 O PHE B 239 2.105 -9.138 -15.853 1.00 43.51 O ATOM 1678 CB PHE B 239 4.466 -8.842 -17.436 1.00 72.52 C ATOM 1679 CG PHE B 239 5.724 -8.356 -18.076 1.00 44.42 C ATOM 1680 CD1 PHE B 239 6.510 -7.372 -17.488 1.00 44.54 C ATOM 1681 CD2 PHE B 239 6.129 -8.908 -19.275 1.00 41.02 C ATOM 1682 CE1 PHE B 239 7.682 -6.953 -18.097 1.00 53.44 C ATOM 1683 CE2 PHE B 239 7.284 -8.502 -19.889 1.00 0.32 C ATOM 1684 CZ PHE B 239 8.070 -7.518 -19.304 1.00 13.10 C ATOM 0 H PHE B 239 3.891 -6.932 -15.745 1.00 11.22 H new ATOM 0 HA PHE B 239 3.126 -7.544 -18.516 1.00 12.21 H new ATOM 0 HB2 PHE B 239 4.678 -9.066 -16.391 1.00 72.52 H new ATOM 0 HB3 PHE B 239 4.180 -9.780 -17.912 1.00 72.52 H new ATOM 0 HD1 PHE B 239 6.205 -6.931 -16.550 1.00 44.54 H new ATOM 0 HD2 PHE B 239 5.524 -9.674 -19.737 1.00 41.02 H new ATOM 0 HE1 PHE B 239 8.291 -6.190 -17.635 1.00 53.44 H new ATOM 0 HE2 PHE B 239 7.583 -8.947 -20.827 1.00 0.32 H new ATOM 0 HZ PHE B 239 8.980 -7.193 -19.787 1.00 13.10 H new ATOM 1694 N ILE B 240 1.029 -8.720 -17.757 1.00 73.13 N ATOM 1695 CA ILE B 240 -0.129 -9.480 -17.317 1.00 70.24 C ATOM 1696 C ILE B 240 -0.026 -10.825 -17.959 1.00 43.13 C ATOM 1697 O ILE B 240 -0.057 -10.917 -19.199 1.00 54.43 O ATOM 1698 CB ILE B 240 -1.453 -8.844 -17.781 1.00 65.21 C ATOM 1699 CG1 ILE B 240 -1.364 -7.329 -17.698 1.00 41.20 C ATOM 1700 CG2 ILE B 240 -2.625 -9.376 -16.964 1.00 73.45 C ATOM 1701 CD1 ILE B 240 -2.656 -6.592 -17.980 1.00 55.41 C ATOM 0 H ILE B 240 0.947 -8.286 -18.676 1.00 73.13 H new ATOM 0 HA ILE B 240 -0.136 -9.517 -16.228 1.00 70.24 H new ATOM 0 HB ILE B 240 -1.627 -9.118 -18.821 1.00 65.21 H new ATOM 0 HG12 ILE B 240 -1.018 -7.055 -16.701 1.00 41.20 H new ATOM 0 HG13 ILE B 240 -0.607 -6.986 -18.403 1.00 41.20 H new ATOM 0 HG21 ILE B 240 -3.549 -8.913 -17.309 1.00 73.45 H new ATOM 0 HG22 ILE B 240 -2.693 -10.457 -17.086 1.00 73.45 H new ATOM 0 HG23 ILE B 240 -2.472 -9.139 -15.911 1.00 73.45 H new ATOM 0 HD11 ILE B 240 -2.488 -5.518 -17.896 1.00 55.41 H new ATOM 0 HD12 ILE B 240 -2.997 -6.828 -18.988 1.00 55.41 H new ATOM 0 HD13 ILE B 240 -3.414 -6.898 -17.259 1.00 55.41 H new ATOM 1713 N THR B 241 0.089 -11.857 -17.171 1.00 43.12 N ATOM 1714 CA THR B 241 0.252 -13.154 -17.725 1.00 33.22 C ATOM 1715 C THR B 241 -0.867 -14.065 -17.264 1.00 32.31 C ATOM 1716 O THR B 241 -1.674 -13.696 -16.421 1.00 30.44 O ATOM 1717 CB THR B 241 1.618 -13.791 -17.351 1.00 21.35 C ATOM 1718 OG1 THR B 241 1.655 -14.109 -15.951 1.00 72.41 O ATOM 1719 CG2 THR B 241 2.784 -12.854 -17.663 1.00 4.13 C ATOM 0 H THR B 241 0.072 -11.818 -16.152 1.00 43.12 H new ATOM 0 HA THR B 241 0.222 -13.040 -18.809 1.00 33.22 H new ATOM 0 HB THR B 241 1.720 -14.696 -17.949 1.00 21.35 H new ATOM 0 HG1 THR B 241 1.141 -13.441 -15.450 1.00 72.41 H new ATOM 0 HG21 THR B 241 3.722 -13.336 -17.387 1.00 4.13 H new ATOM 0 HG22 THR B 241 2.793 -12.626 -18.729 1.00 4.13 H new ATOM 0 HG23 THR B 241 2.670 -11.930 -17.096 1.00 4.13 H new ATOM 1727 N LYS B 242 -0.878 -15.256 -17.804 1.00 3.10 N ATOM 1728 CA LYS B 242 -1.902 -16.279 -17.496 1.00 10.21 C ATOM 1729 C LYS B 242 -1.698 -16.924 -16.098 1.00 44.11 C ATOM 1730 O LYS B 242 -2.435 -17.830 -15.707 1.00 11.20 O ATOM 1731 CB LYS B 242 -1.919 -17.392 -18.592 1.00 3.34 C ATOM 1732 CG LYS B 242 -0.696 -18.349 -18.642 1.00 42.31 C ATOM 1733 CD LYS B 242 0.630 -17.637 -18.903 1.00 3.41 C ATOM 1734 CE LYS B 242 1.795 -18.615 -18.906 1.00 2.10 C ATOM 1735 NZ LYS B 242 3.091 -17.932 -19.099 1.00 34.14 N ATOM 0 H LYS B 242 -0.180 -15.568 -18.479 1.00 3.10 H new ATOM 0 HA LYS B 242 -2.862 -15.763 -17.485 1.00 10.21 H new ATOM 0 HB2 LYS B 242 -2.816 -17.995 -18.449 1.00 3.34 H new ATOM 0 HB3 LYS B 242 -2.011 -16.909 -19.565 1.00 3.34 H new ATOM 0 HG2 LYS B 242 -0.629 -18.888 -17.697 1.00 42.31 H new ATOM 0 HG3 LYS B 242 -0.859 -19.092 -19.422 1.00 42.31 H new ATOM 0 HD2 LYS B 242 0.585 -17.120 -19.862 1.00 3.41 H new ATOM 0 HD3 LYS B 242 0.793 -16.877 -18.139 1.00 3.41 H new ATOM 0 HE2 LYS B 242 1.811 -19.163 -17.964 1.00 2.10 H new ATOM 0 HE3 LYS B 242 1.650 -19.349 -19.699 1.00 2.10 H new ATOM 0 HZ1 LYS B 242 3.858 -18.635 -19.095 1.00 34.14 H new ATOM 0 HZ2 LYS B 242 3.087 -17.430 -20.010 1.00 34.14 H new ATOM 0 HZ3 LYS B 242 3.242 -17.250 -18.329 1.00 34.14 H new ATOM 1749 N ARG B 243 -0.689 -16.480 -15.364 1.00 40.14 N ATOM 1750 CA ARG B 243 -0.410 -17.062 -14.045 1.00 14.11 C ATOM 1751 C ARG B 243 -0.189 -15.985 -12.999 1.00 51.12 C ATOM 1752 O ARG B 243 0.153 -16.281 -11.851 1.00 60.41 O ATOM 1753 CB ARG B 243 0.815 -17.986 -14.117 1.00 43.22 C ATOM 1754 CG ARG B 243 0.642 -19.132 -15.083 1.00 73.04 C ATOM 1755 CD ARG B 243 1.884 -19.991 -15.216 1.00 64.41 C ATOM 1756 NE ARG B 243 1.649 -21.077 -16.173 1.00 14.13 N ATOM 1757 CZ ARG B 243 2.575 -21.710 -16.915 1.00 53.53 C ATOM 1758 NH1 ARG B 243 3.859 -21.381 -16.839 1.00 22.30 N ATOM 1759 NH2 ARG B 243 2.188 -22.662 -17.744 1.00 55.42 N ATOM 0 H ARG B 243 -0.055 -15.732 -15.646 1.00 40.14 H new ATOM 0 HA ARG B 243 -1.282 -17.646 -13.749 1.00 14.11 H new ATOM 0 HB2 ARG B 243 1.686 -17.401 -14.411 1.00 43.22 H new ATOM 0 HB3 ARG B 243 1.019 -18.385 -13.123 1.00 43.22 H new ATOM 0 HG2 ARG B 243 -0.190 -19.755 -14.753 1.00 73.04 H new ATOM 0 HG3 ARG B 243 0.375 -18.736 -16.063 1.00 73.04 H new ATOM 0 HD2 ARG B 243 2.724 -19.380 -15.547 1.00 64.41 H new ATOM 0 HD3 ARG B 243 2.155 -20.405 -14.245 1.00 64.41 H new ATOM 0 HE ARG B 243 0.683 -21.384 -16.288 1.00 14.13 H new ATOM 0 HH11 ARG B 243 4.158 -20.636 -16.210 1.00 22.30 H new ATOM 0 HH12 ARG B 243 4.546 -21.873 -17.410 1.00 22.30 H new ATOM 0 HH21 ARG B 243 1.200 -22.907 -17.814 1.00 55.42 H new ATOM 0 HH22 ARG B 243 2.877 -23.153 -18.314 1.00 55.42 H new ATOM 1773 N GLY B 244 -0.397 -14.746 -13.379 1.00 31.10 N ATOM 1774 CA GLY B 244 -0.180 -13.656 -12.469 1.00 44.03 C ATOM 1775 C GLY B 244 0.347 -12.442 -13.175 1.00 1.35 C ATOM 1776 O GLY B 244 0.347 -12.389 -14.412 1.00 1.14 O ATOM 0 H GLY B 244 -0.715 -14.473 -14.309 1.00 31.10 H new ATOM 0 HA2 GLY B 244 -1.116 -13.408 -11.968 1.00 44.03 H new ATOM 0 HA3 GLY B 244 0.525 -13.962 -11.696 1.00 44.03 H new ATOM 1780 N LEU B 245 0.812 -11.474 -12.425 1.00 70.32 N ATOM 1781 CA LEU B 245 1.292 -10.245 -13.020 1.00 3.34 C ATOM 1782 C LEU B 245 2.657 -9.856 -12.491 1.00 11.42 C ATOM 1783 O LEU B 245 3.014 -10.161 -11.347 1.00 50.44 O ATOM 1784 CB LEU B 245 0.310 -9.057 -12.839 1.00 21.24 C ATOM 1785 CG LEU B 245 -1.097 -9.168 -13.471 1.00 60.32 C ATOM 1786 CD1 LEU B 245 -2.016 -10.117 -12.707 1.00 30.21 C ATOM 1787 CD2 LEU B 245 -1.722 -7.805 -13.610 1.00 72.43 C ATOM 0 H LEU B 245 0.870 -11.509 -11.407 1.00 70.32 H new ATOM 0 HA LEU B 245 1.369 -10.456 -14.087 1.00 3.34 H new ATOM 0 HB2 LEU B 245 0.182 -8.891 -11.769 1.00 21.24 H new ATOM 0 HB3 LEU B 245 0.788 -8.165 -13.245 1.00 21.24 H new ATOM 0 HG LEU B 245 -0.967 -9.599 -14.464 1.00 60.32 H new ATOM 0 HD11 LEU B 245 -2.989 -10.154 -13.197 1.00 30.21 H new ATOM 0 HD12 LEU B 245 -1.578 -11.115 -12.693 1.00 30.21 H new ATOM 0 HD13 LEU B 245 -2.138 -9.760 -11.684 1.00 30.21 H new ATOM 0 HD21 LEU B 245 -2.712 -7.902 -14.056 1.00 72.43 H new ATOM 0 HD22 LEU B 245 -1.811 -7.344 -12.626 1.00 72.43 H new ATOM 0 HD23 LEU B 245 -1.096 -7.181 -14.248 1.00 72.43 H new ATOM 1799 N LYS B 246 3.411 -9.195 -13.324 1.00 51.24 N ATOM 1800 CA LYS B 246 4.709 -8.688 -12.957 1.00 3.04 C ATOM 1801 C LYS B 246 4.656 -7.185 -13.014 1.00 20.55 C ATOM 1802 O LYS B 246 4.101 -6.624 -13.951 1.00 3.51 O ATOM 1803 CB LYS B 246 5.774 -9.123 -13.958 1.00 53.14 C ATOM 1804 CG LYS B 246 7.185 -8.683 -13.572 1.00 23.14 C ATOM 1805 CD LYS B 246 8.143 -8.735 -14.740 1.00 20.12 C ATOM 1806 CE LYS B 246 8.230 -10.107 -15.390 1.00 11.14 C ATOM 1807 NZ LYS B 246 8.805 -11.126 -14.487 1.00 4.21 N ATOM 0 H LYS B 246 3.142 -8.990 -14.286 1.00 51.24 H new ATOM 0 HA LYS B 246 4.957 -9.066 -11.965 1.00 3.04 H new ATOM 0 HB2 LYS B 246 5.753 -10.209 -14.051 1.00 53.14 H new ATOM 0 HB3 LYS B 246 5.529 -8.714 -14.938 1.00 53.14 H new ATOM 0 HG2 LYS B 246 7.151 -7.667 -13.178 1.00 23.14 H new ATOM 0 HG3 LYS B 246 7.556 -9.323 -12.772 1.00 23.14 H new ATOM 0 HD2 LYS B 246 7.832 -8.006 -15.488 1.00 20.12 H new ATOM 0 HD3 LYS B 246 9.135 -8.439 -14.400 1.00 20.12 H new ATOM 0 HE2 LYS B 246 7.234 -10.422 -15.701 1.00 11.14 H new ATOM 0 HE3 LYS B 246 8.839 -10.040 -16.292 1.00 11.14 H new ATOM 0 HZ1 LYS B 246 8.843 -12.043 -14.977 1.00 4.21 H new ATOM 0 HZ2 LYS B 246 9.766 -10.842 -14.210 1.00 4.21 H new ATOM 0 HZ3 LYS B 246 8.211 -11.212 -13.637 1.00 4.21 H new ATOM 1821 N VAL B 247 5.224 -6.553 -12.053 1.00 63.31 N ATOM 1822 CA VAL B 247 5.323 -5.124 -12.052 1.00 52.53 C ATOM 1823 C VAL B 247 6.771 -4.696 -11.818 1.00 54.50 C ATOM 1824 O VAL B 247 7.385 -4.978 -10.786 1.00 53.21 O ATOM 1825 CB VAL B 247 4.336 -4.447 -11.052 1.00 51.20 C ATOM 1826 CG1 VAL B 247 4.524 -4.956 -9.636 1.00 24.10 C ATOM 1827 CG2 VAL B 247 4.481 -2.937 -11.106 1.00 54.52 C ATOM 0 H VAL B 247 5.638 -7.006 -11.238 1.00 63.31 H new ATOM 0 HA VAL B 247 5.018 -4.772 -13.037 1.00 52.53 H new ATOM 0 HB VAL B 247 3.324 -4.714 -11.357 1.00 51.20 H new ATOM 0 HG11 VAL B 247 3.816 -4.458 -8.973 1.00 24.10 H new ATOM 0 HG12 VAL B 247 4.350 -6.032 -9.610 1.00 24.10 H new ATOM 0 HG13 VAL B 247 5.541 -4.745 -9.305 1.00 24.10 H new ATOM 0 HG21 VAL B 247 3.786 -2.479 -10.403 1.00 54.52 H new ATOM 0 HG22 VAL B 247 5.501 -2.660 -10.840 1.00 54.52 H new ATOM 0 HG23 VAL B 247 4.261 -2.586 -12.114 1.00 54.52 H new ATOM 1837 N CYS B 248 7.322 -4.060 -12.782 1.00 42.32 N ATOM 1838 CA CYS B 248 8.665 -3.612 -12.699 1.00 20.03 C ATOM 1839 C CYS B 248 8.642 -2.132 -12.860 1.00 52.32 C ATOM 1840 O CYS B 248 8.179 -1.645 -13.870 1.00 21.34 O ATOM 1841 CB CYS B 248 9.479 -4.235 -13.823 1.00 32.41 C ATOM 1842 SG CYS B 248 11.270 -3.988 -13.655 1.00 71.34 S ATOM 0 H CYS B 248 6.853 -3.832 -13.659 1.00 42.32 H new ATOM 0 HA CYS B 248 9.114 -3.894 -11.747 1.00 20.03 H new ATOM 0 HB2 CYS B 248 9.271 -5.304 -13.860 1.00 32.41 H new ATOM 0 HB3 CYS B 248 9.151 -3.813 -14.773 1.00 32.41 H new ATOM 1847 N CYS B 249 9.089 -1.403 -11.888 1.00 24.03 N ATOM 1848 CA CYS B 249 9.016 0.012 -12.016 1.00 52.32 C ATOM 1849 C CYS B 249 10.327 0.657 -11.622 1.00 61.35 C ATOM 1850 O CYS B 249 11.041 0.167 -10.733 1.00 11.12 O ATOM 1851 CB CYS B 249 7.824 0.580 -11.232 1.00 12.15 C ATOM 1852 SG CYS B 249 7.466 2.299 -11.616 1.00 34.44 S ATOM 0 H CYS B 249 9.497 -1.753 -11.021 1.00 24.03 H new ATOM 0 HA CYS B 249 8.844 0.254 -13.065 1.00 52.32 H new ATOM 0 HB2 CYS B 249 6.941 -0.023 -11.443 1.00 12.15 H new ATOM 0 HB3 CYS B 249 8.025 0.489 -10.165 1.00 12.15 H new ATOM 1857 N ASP B 250 10.655 1.716 -12.310 1.00 70.41 N ATOM 1858 CA ASP B 250 11.871 2.428 -12.104 1.00 73.44 C ATOM 1859 C ASP B 250 11.608 3.921 -12.181 1.00 2.41 C ATOM 1860 O ASP B 250 11.216 4.427 -13.225 1.00 73.52 O ATOM 1861 CB ASP B 250 12.881 2.049 -13.181 1.00 53.51 C ATOM 1862 CG ASP B 250 14.251 2.615 -12.910 1.00 71.43 C ATOM 1863 OD1 ASP B 250 14.901 2.168 -11.952 1.00 60.50 O ATOM 1864 OD2 ASP B 250 14.701 3.514 -13.635 1.00 11.30 O ATOM 0 H ASP B 250 10.067 2.111 -13.044 1.00 70.41 H new ATOM 0 HA ASP B 250 12.268 2.172 -11.122 1.00 73.44 H new ATOM 0 HB2 ASP B 250 12.946 0.963 -13.248 1.00 53.51 H new ATOM 0 HB3 ASP B 250 12.528 2.407 -14.148 1.00 53.51 H new ATOM 1869 N PRO B 251 11.804 4.647 -11.085 1.00 42.04 N ATOM 1870 CA PRO B 251 11.648 6.119 -11.038 1.00 72.42 C ATOM 1871 C PRO B 251 12.854 6.828 -11.678 1.00 13.12 C ATOM 1872 O PRO B 251 13.280 7.893 -11.221 1.00 12.51 O ATOM 1873 CB PRO B 251 11.615 6.394 -9.533 1.00 43.40 C ATOM 1874 CG PRO B 251 12.442 5.315 -8.949 1.00 25.02 C ATOM 1875 CD PRO B 251 12.190 4.097 -9.789 1.00 63.43 C ATOM 0 HA PRO B 251 10.772 6.476 -11.579 1.00 72.42 H new ATOM 0 HB2 PRO B 251 12.021 7.378 -9.299 1.00 43.40 H new ATOM 0 HB3 PRO B 251 10.596 6.369 -9.146 1.00 43.40 H new ATOM 0 HG2 PRO B 251 13.498 5.584 -8.960 1.00 25.02 H new ATOM 0 HG3 PRO B 251 12.170 5.135 -7.909 1.00 25.02 H new ATOM 0 HD2 PRO B 251 13.080 3.473 -9.867 1.00 63.43 H new ATOM 0 HD3 PRO B 251 11.401 3.475 -9.366 1.00 63.43 H new