USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=25 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 92:sc= 1.04 USER MOD Set 1.2: B 210 THR OG1 : rot 172:sc= 0.952 USER MOD Set 2.1: A 10 THR OG1 : rot -22:sc= 0.561 USER MOD Set 2.2: B 216 THR OG1 : rot 128:sc= 0.42 USER MOD Single : A 13 SER OG : rot 36:sc= 0.0243 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.17) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 0.441 (180deg=0.0903!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 90:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 37:sc= 0.416 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -20:sc= 0.825 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 39:sc= 0.188 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.95) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -152:sc= 0.63 (180deg=0.181!) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot -128:sc= 1.22 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 50:sc= 0.264 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -54:sc= 1.52 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.321 -10.434 -6.093 1.00 52.12 N ATOM 138 CA THR A 10 -8.065 -10.503 -5.437 1.00 55.43 C ATOM 139 C THR A 10 -7.161 -9.369 -5.831 1.00 31.31 C ATOM 140 O THR A 10 -6.958 -9.100 -7.035 1.00 1.02 O ATOM 141 CB THR A 10 -7.381 -11.852 -5.728 1.00 4.14 C ATOM 142 OG1 THR A 10 -7.350 -12.090 -7.162 1.00 71.54 O ATOM 143 CG2 THR A 10 -8.127 -12.983 -5.035 1.00 32.23 C ATOM 0 HA THR A 10 -8.253 -10.418 -4.367 1.00 55.43 H new ATOM 0 HB THR A 10 -6.361 -11.817 -5.346 1.00 4.14 H new ATOM 0 HG1 THR A 10 -8.052 -11.562 -7.596 1.00 71.54 H new ATOM 0 HG21 THR A 10 -7.632 -13.930 -5.250 1.00 32.23 H new ATOM 0 HG22 THR A 10 -8.130 -12.811 -3.959 1.00 32.23 H new ATOM 0 HG23 THR A 10 -9.154 -13.019 -5.400 1.00 32.23 H new ATOM 151 N CYS A 11 -6.625 -8.706 -4.849 1.00 10.11 N ATOM 152 CA CYS A 11 -5.673 -7.686 -5.093 1.00 40.53 C ATOM 153 C CYS A 11 -4.415 -8.097 -4.378 1.00 73.11 C ATOM 154 O CYS A 11 -4.476 -8.692 -3.293 1.00 74.42 O ATOM 155 CB CYS A 11 -6.130 -6.319 -4.552 1.00 75.31 C ATOM 156 SG CYS A 11 -7.849 -5.780 -4.979 1.00 53.15 S ATOM 0 H CYS A 11 -6.840 -8.863 -3.864 1.00 10.11 H new ATOM 0 HA CYS A 11 -5.530 -7.573 -6.168 1.00 40.53 H new ATOM 0 HB2 CYS A 11 -6.040 -6.337 -3.466 1.00 75.31 H new ATOM 0 HB3 CYS A 11 -5.437 -5.561 -4.917 1.00 75.31 H new ATOM 161 N VAL A 12 -3.304 -7.805 -4.961 1.00 41.10 N ATOM 162 CA VAL A 12 -2.026 -8.156 -4.418 1.00 11.05 C ATOM 163 C VAL A 12 -1.111 -6.934 -4.427 1.00 11.51 C ATOM 164 O VAL A 12 -1.078 -6.180 -5.397 1.00 4.32 O ATOM 165 CB VAL A 12 -1.403 -9.393 -5.167 1.00 65.04 C ATOM 166 CG1 VAL A 12 -2.129 -10.677 -4.773 1.00 31.01 C ATOM 167 CG2 VAL A 12 -1.519 -9.222 -6.684 1.00 74.51 C ATOM 0 H VAL A 12 -3.251 -7.305 -5.848 1.00 41.10 H new ATOM 0 HA VAL A 12 -2.150 -8.469 -3.381 1.00 11.05 H new ATOM 0 HB VAL A 12 -0.353 -9.455 -4.882 1.00 65.04 H new ATOM 0 HG11 VAL A 12 -1.686 -11.522 -5.300 1.00 31.01 H new ATOM 0 HG12 VAL A 12 -2.038 -10.831 -3.698 1.00 31.01 H new ATOM 0 HG13 VAL A 12 -3.183 -10.596 -5.040 1.00 31.01 H new ATOM 0 HG21 VAL A 12 -1.083 -10.088 -7.182 1.00 74.51 H new ATOM 0 HG22 VAL A 12 -2.570 -9.135 -6.961 1.00 74.51 H new ATOM 0 HG23 VAL A 12 -0.988 -8.321 -6.990 1.00 74.51 H new ATOM 177 N SER A 13 -0.405 -6.717 -3.349 1.00 42.20 N ATOM 178 CA SER A 13 0.389 -5.523 -3.205 1.00 43.52 C ATOM 179 C SER A 13 1.796 -5.811 -2.715 1.00 61.44 C ATOM 180 O SER A 13 1.989 -6.543 -1.742 1.00 15.03 O ATOM 181 CB SER A 13 -0.311 -4.578 -2.236 1.00 11.15 C ATOM 182 OG SER A 13 -0.637 -5.252 -1.022 1.00 43.41 O ATOM 0 H SER A 13 -0.363 -7.354 -2.554 1.00 42.20 H new ATOM 0 HA SER A 13 0.484 -5.066 -4.190 1.00 43.52 H new ATOM 0 HB2 SER A 13 0.333 -3.725 -2.023 1.00 11.15 H new ATOM 0 HB3 SER A 13 -1.218 -4.185 -2.695 1.00 11.15 H new ATOM 0 HG SER A 13 0.074 -5.889 -0.801 1.00 43.41 H new ATOM 188 N LEU A 14 2.763 -5.241 -3.380 1.00 44.13 N ATOM 189 CA LEU A 14 4.150 -5.355 -2.951 1.00 23.54 C ATOM 190 C LEU A 14 4.796 -4.015 -2.788 1.00 62.31 C ATOM 191 O LEU A 14 4.512 -3.081 -3.535 1.00 73.24 O ATOM 192 CB LEU A 14 4.993 -6.245 -3.852 1.00 31.55 C ATOM 193 CG LEU A 14 4.690 -7.732 -3.803 1.00 55.14 C ATOM 194 CD1 LEU A 14 5.582 -8.477 -4.766 1.00 22.01 C ATOM 195 CD2 LEU A 14 4.864 -8.282 -2.401 1.00 61.34 C ATOM 0 H LEU A 14 2.626 -4.688 -4.226 1.00 44.13 H new ATOM 0 HA LEU A 14 4.108 -5.842 -1.977 1.00 23.54 H new ATOM 0 HB2 LEU A 14 4.871 -5.905 -4.880 1.00 31.55 H new ATOM 0 HB3 LEU A 14 6.041 -6.101 -3.591 1.00 31.55 H new ATOM 0 HG LEU A 14 3.650 -7.873 -4.095 1.00 55.14 H new ATOM 0 HD11 LEU A 14 5.355 -9.542 -4.722 1.00 22.01 H new ATOM 0 HD12 LEU A 14 5.410 -8.111 -5.778 1.00 22.01 H new ATOM 0 HD13 LEU A 14 6.625 -8.316 -4.494 1.00 22.01 H new ATOM 0 HD21 LEU A 14 4.640 -9.349 -2.398 1.00 61.34 H new ATOM 0 HD22 LEU A 14 5.892 -8.126 -2.074 1.00 61.34 H new ATOM 0 HD23 LEU A 14 4.185 -7.767 -1.721 1.00 61.34 H new ATOM 207 N THR A 15 5.646 -3.921 -1.814 1.00 44.42 N ATOM 208 CA THR A 15 6.348 -2.710 -1.525 1.00 5.31 C ATOM 209 C THR A 15 7.741 -2.766 -2.127 1.00 74.32 C ATOM 210 O THR A 15 8.393 -3.825 -2.136 1.00 31.04 O ATOM 211 CB THR A 15 6.411 -2.418 -0.004 1.00 73.12 C ATOM 212 OG1 THR A 15 6.987 -3.531 0.700 1.00 4.01 O ATOM 213 CG2 THR A 15 5.021 -2.122 0.547 1.00 24.53 C ATOM 0 H THR A 15 5.875 -4.694 -1.189 1.00 44.42 H new ATOM 0 HA THR A 15 5.796 -1.887 -1.978 1.00 5.31 H new ATOM 0 HB THR A 15 7.041 -1.541 0.144 1.00 73.12 H new ATOM 0 HG1 THR A 15 7.021 -3.330 1.658 1.00 4.01 H new ATOM 0 HG21 THR A 15 5.089 -1.920 1.616 1.00 24.53 H new ATOM 0 HG22 THR A 15 4.606 -1.252 0.039 1.00 24.53 H new ATOM 0 HG23 THR A 15 4.373 -2.982 0.381 1.00 24.53 H new ATOM 221 N THR A 16 8.183 -1.669 -2.637 1.00 20.33 N ATOM 222 CA THR A 16 9.446 -1.594 -3.305 1.00 32.31 C ATOM 223 C THR A 16 10.269 -0.455 -2.712 1.00 14.34 C ATOM 224 O THR A 16 9.735 0.371 -1.957 1.00 13.13 O ATOM 225 CB THR A 16 9.272 -1.457 -4.845 1.00 13.33 C ATOM 226 OG1 THR A 16 10.546 -1.414 -5.503 1.00 12.23 O ATOM 227 CG2 THR A 16 8.464 -0.218 -5.196 1.00 13.41 C ATOM 0 H THR A 16 7.675 -0.785 -2.604 1.00 20.33 H new ATOM 0 HA THR A 16 9.988 -2.526 -3.145 1.00 32.31 H new ATOM 0 HB THR A 16 8.728 -2.335 -5.193 1.00 13.33 H new ATOM 0 HG1 THR A 16 10.814 -2.322 -5.757 1.00 12.23 H new ATOM 0 HG21 THR A 16 8.358 -0.147 -6.279 1.00 13.41 H new ATOM 0 HG22 THR A 16 7.477 -0.286 -4.738 1.00 13.41 H new ATOM 0 HG23 THR A 16 8.977 0.669 -4.823 1.00 13.41 H new ATOM 235 N GLN A 17 11.558 -0.443 -3.006 1.00 62.22 N ATOM 236 CA GLN A 17 12.494 0.527 -2.456 1.00 31.33 C ATOM 237 C GLN A 17 12.206 1.969 -2.878 1.00 63.52 C ATOM 238 O GLN A 17 12.758 2.451 -3.861 1.00 45.35 O ATOM 239 CB GLN A 17 13.936 0.159 -2.802 1.00 14.41 C ATOM 240 CG GLN A 17 14.427 -1.133 -2.184 1.00 11.44 C ATOM 241 CD GLN A 17 14.457 -1.078 -0.674 1.00 15.51 C ATOM 242 OE1 GLN A 17 13.488 -1.437 0.000 1.00 71.23 O ATOM 243 NE2 GLN A 17 15.550 -0.610 -0.134 1.00 31.44 N ATOM 0 H GLN A 17 11.991 -1.114 -3.641 1.00 62.22 H new ATOM 0 HA GLN A 17 12.356 0.483 -1.376 1.00 31.33 H new ATOM 0 HB2 GLN A 17 14.027 0.085 -3.886 1.00 14.41 H new ATOM 0 HB3 GLN A 17 14.590 0.970 -2.482 1.00 14.41 H new ATOM 0 HG2 GLN A 17 13.782 -1.952 -2.502 1.00 11.44 H new ATOM 0 HG3 GLN A 17 15.428 -1.353 -2.556 1.00 11.44 H new ATOM 0 HE21 GLN A 17 16.329 -0.324 -0.726 1.00 31.44 H new ATOM 0 HE22 GLN A 17 15.624 -0.531 0.880 1.00 31.44 H new ATOM 252 N ARG A 18 11.293 2.604 -2.136 1.00 12.20 N ATOM 253 CA ARG A 18 10.932 4.031 -2.241 1.00 32.13 C ATOM 254 C ARG A 18 10.759 4.614 -3.670 1.00 3.31 C ATOM 255 O ARG A 18 11.726 4.911 -4.372 1.00 62.54 O ATOM 256 CB ARG A 18 11.756 4.932 -1.246 1.00 3.14 C ATOM 257 CG ARG A 18 13.299 4.784 -1.276 1.00 61.13 C ATOM 258 CD ARG A 18 13.940 5.369 -2.526 1.00 50.34 C ATOM 259 NE ARG A 18 13.791 6.827 -2.584 1.00 30.22 N ATOM 260 CZ ARG A 18 13.786 7.569 -3.695 1.00 15.53 C ATOM 261 NH1 ARG A 18 13.792 6.989 -4.891 1.00 34.33 N ATOM 262 NH2 ARG A 18 13.733 8.891 -3.603 1.00 74.23 N ATOM 0 H ARG A 18 10.759 2.121 -1.413 1.00 12.20 H new ATOM 0 HA ARG A 18 9.898 4.062 -1.899 1.00 32.13 H new ATOM 0 HB2 ARG A 18 11.512 5.974 -1.451 1.00 3.14 H new ATOM 0 HB3 ARG A 18 11.415 4.718 -0.233 1.00 3.14 H new ATOM 0 HG2 ARG A 18 13.720 5.274 -0.398 1.00 61.13 H new ATOM 0 HG3 ARG A 18 13.556 3.727 -1.206 1.00 61.13 H new ATOM 0 HD2 ARG A 18 14.999 5.111 -2.546 1.00 50.34 H new ATOM 0 HD3 ARG A 18 13.486 4.922 -3.410 1.00 50.34 H new ATOM 0 HE ARG A 18 13.681 7.318 -1.697 1.00 30.22 H new ATOM 0 HH11 ARG A 18 13.800 5.972 -4.964 1.00 34.33 H new ATOM 0 HH12 ARG A 18 13.788 7.561 -5.735 1.00 34.33 H new ATOM 0 HH21 ARG A 18 13.696 9.337 -2.687 1.00 74.23 H new ATOM 0 HH22 ARG A 18 13.729 9.461 -4.449 1.00 74.23 H new ATOM 276 N LEU A 19 9.524 4.764 -4.084 1.00 55.42 N ATOM 277 CA LEU A 19 9.218 5.360 -5.373 1.00 24.10 C ATOM 278 C LEU A 19 8.266 6.517 -5.171 1.00 23.11 C ATOM 279 O LEU A 19 7.074 6.308 -5.005 1.00 1.40 O ATOM 280 CB LEU A 19 8.599 4.341 -6.345 1.00 2.42 C ATOM 281 CG LEU A 19 9.447 3.118 -6.704 1.00 11.52 C ATOM 282 CD1 LEU A 19 8.707 2.240 -7.686 1.00 0.11 C ATOM 283 CD2 LEU A 19 10.785 3.534 -7.279 1.00 64.32 C ATOM 0 H LEU A 19 8.705 4.481 -3.546 1.00 55.42 H new ATOM 0 HA LEU A 19 10.151 5.709 -5.815 1.00 24.10 H new ATOM 0 HB2 LEU A 19 7.662 3.989 -5.914 1.00 2.42 H new ATOM 0 HB3 LEU A 19 8.349 4.863 -7.269 1.00 2.42 H new ATOM 0 HG LEU A 19 9.631 2.552 -5.791 1.00 11.52 H new ATOM 0 HD11 LEU A 19 9.320 1.374 -7.933 1.00 0.11 H new ATOM 0 HD12 LEU A 19 7.770 1.906 -7.241 1.00 0.11 H new ATOM 0 HD13 LEU A 19 8.496 2.806 -8.593 1.00 0.11 H new ATOM 0 HD21 LEU A 19 11.367 2.646 -7.525 1.00 64.32 H new ATOM 0 HD22 LEU A 19 10.626 4.125 -8.181 1.00 64.32 H new ATOM 0 HD23 LEU A 19 11.327 4.131 -6.545 1.00 64.32 H new ATOM 295 N PRO A 20 8.772 7.752 -5.135 1.00 50.10 N ATOM 296 CA PRO A 20 7.924 8.908 -4.898 1.00 25.20 C ATOM 297 C PRO A 20 7.006 9.201 -6.087 1.00 14.32 C ATOM 298 O PRO A 20 7.423 9.114 -7.256 1.00 62.35 O ATOM 299 CB PRO A 20 8.926 10.051 -4.689 1.00 53.21 C ATOM 300 CG PRO A 20 10.169 9.614 -5.389 1.00 10.25 C ATOM 301 CD PRO A 20 10.191 8.112 -5.318 1.00 44.22 C ATOM 0 HA PRO A 20 7.253 8.760 -4.052 1.00 25.20 H new ATOM 0 HB2 PRO A 20 8.549 10.986 -5.103 1.00 53.21 H new ATOM 0 HB3 PRO A 20 9.111 10.224 -3.629 1.00 53.21 H new ATOM 0 HG2 PRO A 20 10.171 9.954 -6.425 1.00 10.25 H new ATOM 0 HG3 PRO A 20 11.053 10.038 -4.912 1.00 10.25 H new ATOM 0 HD2 PRO A 20 10.602 7.674 -6.228 1.00 44.22 H new ATOM 0 HD3 PRO A 20 10.804 7.759 -4.489 1.00 44.22 H new ATOM 309 N VAL A 21 5.774 9.573 -5.785 1.00 55.52 N ATOM 310 CA VAL A 21 4.766 9.885 -6.784 1.00 70.30 C ATOM 311 C VAL A 21 3.923 11.042 -6.288 1.00 72.13 C ATOM 312 O VAL A 21 3.765 11.223 -5.074 1.00 23.11 O ATOM 313 CB VAL A 21 3.824 8.667 -7.121 1.00 72.44 C ATOM 314 CG1 VAL A 21 4.599 7.509 -7.740 1.00 42.05 C ATOM 315 CG2 VAL A 21 3.055 8.191 -5.887 1.00 14.44 C ATOM 0 H VAL A 21 5.441 9.668 -4.826 1.00 55.52 H new ATOM 0 HA VAL A 21 5.294 10.142 -7.703 1.00 70.30 H new ATOM 0 HB VAL A 21 3.102 9.023 -7.856 1.00 72.44 H new ATOM 0 HG11 VAL A 21 3.915 6.689 -7.958 1.00 42.05 H new ATOM 0 HG12 VAL A 21 5.073 7.841 -8.663 1.00 42.05 H new ATOM 0 HG13 VAL A 21 5.363 7.168 -7.042 1.00 42.05 H new ATOM 0 HG21 VAL A 21 2.416 7.350 -6.158 1.00 14.44 H new ATOM 0 HG22 VAL A 21 3.760 7.877 -5.117 1.00 14.44 H new ATOM 0 HG23 VAL A 21 2.440 9.006 -5.505 1.00 14.44 H new ATOM 325 N SER A 22 3.399 11.823 -7.197 1.00 41.30 N ATOM 326 CA SER A 22 2.581 12.955 -6.830 1.00 65.24 C ATOM 327 C SER A 22 1.181 12.495 -6.410 1.00 2.32 C ATOM 328 O SER A 22 0.584 13.042 -5.475 1.00 53.10 O ATOM 329 CB SER A 22 2.472 13.921 -8.011 1.00 24.14 C ATOM 330 OG SER A 22 3.759 14.311 -8.469 1.00 1.00 O ATOM 0 H SER A 22 3.524 11.697 -8.201 1.00 41.30 H new ATOM 0 HA SER A 22 3.050 13.462 -5.987 1.00 65.24 H new ATOM 0 HB2 SER A 22 1.921 13.447 -8.823 1.00 24.14 H new ATOM 0 HB3 SER A 22 1.905 14.803 -7.713 1.00 24.14 H new ATOM 0 HG SER A 22 3.664 14.927 -9.225 1.00 1.00 H new ATOM 336 N ARG A 23 0.675 11.483 -7.086 1.00 43.34 N ATOM 337 CA ARG A 23 -0.670 11.008 -6.852 1.00 51.23 C ATOM 338 C ARG A 23 -0.760 9.501 -7.040 1.00 35.11 C ATOM 339 O ARG A 23 -0.195 8.948 -7.986 1.00 34.53 O ATOM 340 CB ARG A 23 -1.632 11.721 -7.828 1.00 35.24 C ATOM 341 CG ARG A 23 -3.090 11.255 -7.791 1.00 21.31 C ATOM 342 CD ARG A 23 -3.754 11.506 -6.446 1.00 72.34 C ATOM 343 NE ARG A 23 -5.147 11.036 -6.440 1.00 62.41 N ATOM 344 CZ ARG A 23 -6.091 11.410 -5.562 1.00 12.04 C ATOM 345 NH1 ARG A 23 -5.807 12.294 -4.611 1.00 40.32 N ATOM 346 NH2 ARG A 23 -7.321 10.907 -5.655 1.00 42.31 N ATOM 0 H ARG A 23 1.182 10.971 -7.808 1.00 43.34 H new ATOM 0 HA ARG A 23 -0.949 11.233 -5.823 1.00 51.23 H new ATOM 0 HB2 ARG A 23 -1.607 12.790 -7.616 1.00 35.24 H new ATOM 0 HB3 ARG A 23 -1.254 11.588 -8.842 1.00 35.24 H new ATOM 0 HG2 ARG A 23 -3.651 11.770 -8.570 1.00 21.31 H new ATOM 0 HG3 ARG A 23 -3.132 10.190 -8.019 1.00 21.31 H new ATOM 0 HD2 ARG A 23 -3.194 10.998 -5.661 1.00 72.34 H new ATOM 0 HD3 ARG A 23 -3.727 12.572 -6.218 1.00 72.34 H new ATOM 0 HE ARG A 23 -5.419 10.370 -7.163 1.00 62.41 H new ATOM 0 HH11 ARG A 23 -4.869 12.690 -4.547 1.00 40.32 H new ATOM 0 HH12 ARG A 23 -6.527 12.576 -3.945 1.00 40.32 H new ATOM 0 HH21 ARG A 23 -7.544 10.239 -6.393 1.00 42.31 H new ATOM 0 HH22 ARG A 23 -8.039 11.190 -4.989 1.00 42.31 H new ATOM 360 N ILE A 24 -1.453 8.853 -6.120 1.00 10.42 N ATOM 361 CA ILE A 24 -1.750 7.430 -6.228 1.00 34.21 C ATOM 362 C ILE A 24 -2.756 7.302 -7.351 1.00 73.50 C ATOM 363 O ILE A 24 -3.812 7.956 -7.326 1.00 15.34 O ATOM 364 CB ILE A 24 -2.413 6.892 -4.919 1.00 45.20 C ATOM 365 CG1 ILE A 24 -1.600 7.282 -3.657 1.00 55.31 C ATOM 366 CG2 ILE A 24 -2.601 5.379 -4.989 1.00 34.34 C ATOM 367 CD1 ILE A 24 -0.184 6.774 -3.621 1.00 62.44 C ATOM 0 H ILE A 24 -1.826 9.294 -5.279 1.00 10.42 H new ATOM 0 HA ILE A 24 -0.835 6.864 -6.403 1.00 34.21 H new ATOM 0 HB ILE A 24 -3.393 7.362 -4.836 1.00 45.20 H new ATOM 0 HG12 ILE A 24 -1.580 8.369 -3.579 1.00 55.31 H new ATOM 0 HG13 ILE A 24 -2.125 6.909 -2.777 1.00 55.31 H new ATOM 0 HG21 ILE A 24 -3.064 5.027 -4.067 1.00 34.34 H new ATOM 0 HG22 ILE A 24 -3.242 5.131 -5.835 1.00 34.34 H new ATOM 0 HG23 ILE A 24 -1.631 4.897 -5.115 1.00 34.34 H new ATOM 0 HD11 ILE A 24 0.297 7.101 -2.699 1.00 62.44 H new ATOM 0 HD12 ILE A 24 -0.187 5.685 -3.662 1.00 62.44 H new ATOM 0 HD13 ILE A 24 0.366 7.168 -4.476 1.00 62.44 H new ATOM 379 N LYS A 25 -2.451 6.513 -8.321 1.00 55.43 N ATOM 380 CA LYS A 25 -3.307 6.410 -9.460 1.00 60.23 C ATOM 381 C LYS A 25 -3.595 4.979 -9.784 1.00 33.22 C ATOM 382 O LYS A 25 -2.807 4.091 -9.440 1.00 53.50 O ATOM 383 CB LYS A 25 -2.673 7.124 -10.639 1.00 12.11 C ATOM 384 CG LYS A 25 -1.335 6.565 -11.085 1.00 62.04 C ATOM 385 CD LYS A 25 -0.740 7.446 -12.147 1.00 54.23 C ATOM 386 CE LYS A 25 -0.327 8.785 -11.551 1.00 44.35 C ATOM 387 NZ LYS A 25 -0.107 9.827 -12.563 1.00 72.43 N ATOM 0 H LYS A 25 -1.616 5.928 -8.353 1.00 55.43 H new ATOM 0 HA LYS A 25 -4.260 6.889 -9.233 1.00 60.23 H new ATOM 0 HB2 LYS A 25 -3.364 7.087 -11.481 1.00 12.11 H new ATOM 0 HB3 LYS A 25 -2.542 8.175 -10.380 1.00 12.11 H new ATOM 0 HG2 LYS A 25 -0.657 6.498 -10.234 1.00 62.04 H new ATOM 0 HG3 LYS A 25 -1.464 5.553 -11.470 1.00 62.04 H new ATOM 0 HD2 LYS A 25 0.126 6.956 -12.593 1.00 54.23 H new ATOM 0 HD3 LYS A 25 -1.464 7.604 -12.946 1.00 54.23 H new ATOM 0 HE2 LYS A 25 -1.098 9.119 -10.857 1.00 44.35 H new ATOM 0 HE3 LYS A 25 0.587 8.651 -10.972 1.00 44.35 H new ATOM 0 HZ1 LYS A 25 0.600 10.506 -12.215 1.00 72.43 H new ATOM 0 HZ2 LYS A 25 0.236 9.390 -13.442 1.00 72.43 H new ATOM 0 HZ3 LYS A 25 -1.001 10.324 -12.750 1.00 72.43 H new ATOM 401 N THR A 26 -4.709 4.755 -10.431 1.00 20.45 N ATOM 402 CA THR A 26 -5.121 3.441 -10.784 1.00 63.22 C ATOM 403 C THR A 26 -5.279 3.290 -12.280 1.00 4.11 C ATOM 404 O THR A 26 -5.879 4.128 -12.947 1.00 11.53 O ATOM 405 CB THR A 26 -6.429 3.044 -10.076 1.00 41.34 C ATOM 406 OG1 THR A 26 -7.440 4.053 -10.284 1.00 61.22 O ATOM 407 CG2 THR A 26 -6.201 2.824 -8.596 1.00 22.21 C ATOM 0 H THR A 26 -5.353 5.490 -10.725 1.00 20.45 H new ATOM 0 HA THR A 26 -4.332 2.768 -10.450 1.00 63.22 H new ATOM 0 HB THR A 26 -6.776 2.105 -10.508 1.00 41.34 H new ATOM 0 HG1 THR A 26 -8.266 3.786 -9.830 1.00 61.22 H new ATOM 0 HG21 THR A 26 -7.141 2.545 -8.121 1.00 22.21 H new ATOM 0 HG22 THR A 26 -5.472 2.026 -8.455 1.00 22.21 H new ATOM 0 HG23 THR A 26 -5.825 3.743 -8.145 1.00 22.21 H new ATOM 415 N TYR A 27 -4.722 2.251 -12.798 1.00 53.01 N ATOM 416 CA TYR A 27 -4.863 1.917 -14.190 1.00 22.10 C ATOM 417 C TYR A 27 -5.720 0.716 -14.319 1.00 50.44 C ATOM 418 O TYR A 27 -5.499 -0.261 -13.637 1.00 33.51 O ATOM 419 CB TYR A 27 -3.499 1.675 -14.828 1.00 14.41 C ATOM 420 CG TYR A 27 -2.718 2.919 -14.989 1.00 10.04 C ATOM 421 CD1 TYR A 27 -2.890 3.710 -16.105 1.00 63.01 C ATOM 422 CD2 TYR A 27 -1.832 3.323 -14.023 1.00 21.11 C ATOM 423 CE1 TYR A 27 -2.191 4.873 -16.264 1.00 22.44 C ATOM 424 CE2 TYR A 27 -1.128 4.494 -14.166 1.00 72.43 C ATOM 425 CZ TYR A 27 -1.313 5.268 -15.295 1.00 52.05 C ATOM 426 OH TYR A 27 -0.624 6.449 -15.447 1.00 14.12 O ATOM 0 H TYR A 27 -4.147 1.596 -12.269 1.00 53.01 H new ATOM 0 HA TYR A 27 -5.331 2.751 -14.713 1.00 22.10 H new ATOM 0 HB2 TYR A 27 -2.934 0.973 -14.214 1.00 14.41 H new ATOM 0 HB3 TYR A 27 -3.636 1.208 -15.803 1.00 14.41 H new ATOM 0 HD1 TYR A 27 -3.591 3.404 -16.868 1.00 63.01 H new ATOM 0 HD2 TYR A 27 -1.687 2.715 -13.142 1.00 21.11 H new ATOM 0 HE1 TYR A 27 -2.332 5.476 -17.149 1.00 22.44 H new ATOM 0 HE2 TYR A 27 -0.434 4.808 -13.400 1.00 72.43 H new ATOM 0 HH TYR A 27 -1.141 7.182 -15.052 1.00 14.12 H new ATOM 436 N THR A 28 -6.715 0.784 -15.151 1.00 21.41 N ATOM 437 CA THR A 28 -7.572 -0.333 -15.330 1.00 74.23 C ATOM 438 C THR A 28 -7.342 -0.959 -16.703 1.00 12.32 C ATOM 439 O THR A 28 -7.457 -0.298 -17.741 1.00 52.35 O ATOM 440 CB THR A 28 -9.051 0.056 -15.145 1.00 62.33 C ATOM 441 OG1 THR A 28 -9.178 0.763 -13.894 1.00 13.21 O ATOM 442 CG2 THR A 28 -9.917 -1.198 -15.072 1.00 35.52 C ATOM 0 H THR A 28 -6.948 1.603 -15.713 1.00 21.41 H new ATOM 0 HA THR A 28 -7.331 -1.071 -14.564 1.00 74.23 H new ATOM 0 HB THR A 28 -9.372 0.673 -15.984 1.00 62.33 H new ATOM 0 HG1 THR A 28 -10.113 1.022 -13.758 1.00 13.21 H new ATOM 0 HG21 THR A 28 -10.961 -0.912 -14.941 1.00 35.52 H new ATOM 0 HG22 THR A 28 -9.810 -1.768 -15.995 1.00 35.52 H new ATOM 0 HG23 THR A 28 -9.600 -1.810 -14.228 1.00 35.52 H new ATOM 450 N ILE A 29 -6.985 -2.202 -16.687 1.00 2.23 N ATOM 451 CA ILE A 29 -6.741 -2.961 -17.872 1.00 71.12 C ATOM 452 C ILE A 29 -7.927 -3.878 -18.115 1.00 52.55 C ATOM 453 O ILE A 29 -8.421 -4.515 -17.186 1.00 21.11 O ATOM 454 CB ILE A 29 -5.458 -3.824 -17.732 1.00 61.21 C ATOM 455 CG1 ILE A 29 -4.213 -2.951 -17.532 1.00 42.03 C ATOM 456 CG2 ILE A 29 -5.302 -4.686 -18.935 1.00 63.14 C ATOM 457 CD1 ILE A 29 -2.930 -3.711 -17.280 1.00 62.13 C ATOM 0 H ILE A 29 -6.851 -2.733 -15.826 1.00 2.23 H new ATOM 0 HA ILE A 29 -6.603 -2.272 -18.705 1.00 71.12 H new ATOM 0 HB ILE A 29 -5.562 -4.452 -16.848 1.00 61.21 H new ATOM 0 HG12 ILE A 29 -4.080 -2.327 -18.416 1.00 42.03 H new ATOM 0 HG13 ILE A 29 -4.390 -2.280 -16.692 1.00 42.03 H new ATOM 0 HG21 ILE A 29 -4.401 -5.291 -18.835 1.00 63.14 H new ATOM 0 HG22 ILE A 29 -6.169 -5.340 -19.029 1.00 63.14 H new ATOM 0 HG23 ILE A 29 -5.222 -4.060 -19.823 1.00 63.14 H new ATOM 0 HD11 ILE A 29 -2.109 -3.006 -17.152 1.00 62.13 H new ATOM 0 HD12 ILE A 29 -3.035 -4.314 -16.378 1.00 62.13 H new ATOM 0 HD13 ILE A 29 -2.720 -4.362 -18.129 1.00 62.13 H new ATOM 469 N THR A 30 -8.379 -3.933 -19.334 1.00 4.05 N ATOM 470 CA THR A 30 -9.478 -4.776 -19.700 1.00 13.03 C ATOM 471 C THR A 30 -9.104 -5.653 -20.896 1.00 10.44 C ATOM 472 O THR A 30 -9.178 -5.223 -22.053 1.00 31.54 O ATOM 473 CB THR A 30 -10.789 -3.966 -19.992 1.00 43.11 C ATOM 474 OG1 THR A 30 -10.574 -2.996 -21.036 1.00 43.05 O ATOM 475 CG2 THR A 30 -11.283 -3.251 -18.743 1.00 1.42 C ATOM 0 H THR A 30 -7.993 -3.391 -20.106 1.00 4.05 H new ATOM 0 HA THR A 30 -9.689 -5.415 -18.843 1.00 13.03 H new ATOM 0 HB THR A 30 -11.544 -4.682 -20.315 1.00 43.11 H new ATOM 0 HG1 THR A 30 -9.964 -3.368 -21.707 1.00 43.05 H new ATOM 0 HG21 THR A 30 -12.193 -2.698 -18.976 1.00 1.42 H new ATOM 0 HG22 THR A 30 -11.493 -3.983 -17.964 1.00 1.42 H new ATOM 0 HG23 THR A 30 -10.517 -2.559 -18.393 1.00 1.42 H new ATOM 483 N GLU A 31 -8.649 -6.862 -20.625 1.00 1.20 N ATOM 484 CA GLU A 31 -8.242 -7.745 -21.704 1.00 20.01 C ATOM 485 C GLU A 31 -9.071 -9.003 -21.691 1.00 41.24 C ATOM 486 O GLU A 31 -8.838 -9.872 -20.878 1.00 41.24 O ATOM 487 CB GLU A 31 -6.760 -8.151 -21.595 1.00 31.34 C ATOM 488 CG GLU A 31 -5.779 -7.015 -21.406 1.00 30.12 C ATOM 489 CD GLU A 31 -5.943 -5.901 -22.418 1.00 44.31 C ATOM 490 OE1 GLU A 31 -6.038 -6.185 -23.612 1.00 53.34 O ATOM 491 OE2 GLU A 31 -5.919 -4.723 -22.032 1.00 52.20 O ATOM 0 H GLU A 31 -8.553 -7.250 -19.687 1.00 1.20 H new ATOM 0 HA GLU A 31 -8.390 -7.192 -22.631 1.00 20.01 H new ATOM 0 HB2 GLU A 31 -6.653 -8.842 -20.759 1.00 31.34 H new ATOM 0 HB3 GLU A 31 -6.485 -8.697 -22.497 1.00 31.34 H new ATOM 0 HG2 GLU A 31 -5.899 -6.605 -20.403 1.00 30.12 H new ATOM 0 HG3 GLU A 31 -4.764 -7.407 -21.471 1.00 30.12 H new ATOM 498 N GLY A 32 -10.047 -9.082 -22.559 1.00 15.21 N ATOM 499 CA GLY A 32 -10.845 -10.290 -22.678 1.00 12.43 C ATOM 500 C GLY A 32 -11.751 -10.535 -21.486 1.00 3.23 C ATOM 501 O GLY A 32 -11.574 -11.515 -20.757 1.00 10.41 O ATOM 0 H GLY A 32 -10.313 -8.330 -23.195 1.00 15.21 H new ATOM 0 HA2 GLY A 32 -11.453 -10.227 -23.580 1.00 12.43 H new ATOM 0 HA3 GLY A 32 -10.180 -11.145 -22.801 1.00 12.43 H new ATOM 505 N SER A 33 -12.712 -9.624 -21.273 1.00 23.31 N ATOM 506 CA SER A 33 -13.696 -9.725 -20.180 1.00 14.00 C ATOM 507 C SER A 33 -13.007 -9.697 -18.791 1.00 43.54 C ATOM 508 O SER A 33 -13.593 -10.070 -17.783 1.00 21.44 O ATOM 509 CB SER A 33 -14.524 -11.011 -20.345 1.00 74.31 C ATOM 510 OG SER A 33 -15.138 -11.066 -21.634 1.00 65.02 O ATOM 0 H SER A 33 -12.831 -8.794 -21.854 1.00 23.31 H new ATOM 0 HA SER A 33 -14.358 -8.861 -20.234 1.00 14.00 H new ATOM 0 HB2 SER A 33 -13.882 -11.881 -20.207 1.00 74.31 H new ATOM 0 HB3 SER A 33 -15.291 -11.055 -19.571 1.00 74.31 H new ATOM 0 HG SER A 33 -15.657 -11.893 -21.714 1.00 65.02 H new ATOM 516 N LEU A 34 -11.817 -9.187 -18.765 1.00 63.22 N ATOM 517 CA LEU A 34 -10.983 -9.166 -17.584 1.00 45.15 C ATOM 518 C LEU A 34 -10.747 -7.720 -17.137 1.00 62.11 C ATOM 519 O LEU A 34 -10.565 -6.852 -17.982 1.00 0.23 O ATOM 520 CB LEU A 34 -9.667 -9.914 -17.977 1.00 42.43 C ATOM 521 CG LEU A 34 -8.447 -9.934 -17.043 1.00 14.24 C ATOM 522 CD1 LEU A 34 -7.755 -8.584 -16.992 1.00 74.31 C ATOM 523 CD2 LEU A 34 -8.826 -10.416 -15.654 1.00 3.23 C ATOM 0 H LEU A 34 -11.378 -8.760 -19.581 1.00 63.22 H new ATOM 0 HA LEU A 34 -11.444 -9.662 -16.730 1.00 45.15 H new ATOM 0 HB2 LEU A 34 -9.937 -10.953 -18.168 1.00 42.43 H new ATOM 0 HB3 LEU A 34 -9.334 -9.492 -18.925 1.00 42.43 H new ATOM 0 HG LEU A 34 -7.732 -10.645 -17.457 1.00 14.24 H new ATOM 0 HD11 LEU A 34 -6.898 -8.640 -16.321 1.00 74.31 H new ATOM 0 HD12 LEU A 34 -7.416 -8.311 -17.991 1.00 74.31 H new ATOM 0 HD13 LEU A 34 -8.453 -7.831 -16.627 1.00 74.31 H new ATOM 0 HD21 LEU A 34 -7.942 -10.419 -15.016 1.00 3.23 H new ATOM 0 HD22 LEU A 34 -9.577 -9.750 -15.230 1.00 3.23 H new ATOM 0 HD23 LEU A 34 -9.231 -11.426 -15.717 1.00 3.23 H new ATOM 535 N ARG A 35 -10.768 -7.453 -15.813 1.00 15.12 N ATOM 536 CA ARG A 35 -10.477 -6.113 -15.325 1.00 61.14 C ATOM 537 C ARG A 35 -9.357 -6.132 -14.300 1.00 52.14 C ATOM 538 O ARG A 35 -9.526 -6.615 -13.209 1.00 62.21 O ATOM 539 CB ARG A 35 -11.709 -5.457 -14.695 1.00 74.12 C ATOM 540 CG ARG A 35 -12.861 -5.207 -15.640 1.00 31.54 C ATOM 541 CD ARG A 35 -13.992 -4.507 -14.920 1.00 33.44 C ATOM 542 NE ARG A 35 -15.098 -4.177 -15.821 1.00 74.53 N ATOM 543 CZ ARG A 35 -16.041 -3.266 -15.572 1.00 25.11 C ATOM 544 NH1 ARG A 35 -16.029 -2.579 -14.426 1.00 31.41 N ATOM 545 NH2 ARG A 35 -16.998 -3.048 -16.466 1.00 52.32 N ATOM 0 H ARG A 35 -10.980 -8.139 -15.088 1.00 15.12 H new ATOM 0 HA ARG A 35 -10.169 -5.530 -16.193 1.00 61.14 H new ATOM 0 HB2 ARG A 35 -12.060 -6.089 -13.880 1.00 74.12 H new ATOM 0 HB3 ARG A 35 -11.409 -4.506 -14.255 1.00 74.12 H new ATOM 0 HG2 ARG A 35 -12.525 -4.599 -16.480 1.00 31.54 H new ATOM 0 HG3 ARG A 35 -13.214 -6.153 -16.052 1.00 31.54 H new ATOM 0 HD2 ARG A 35 -14.358 -5.144 -14.115 1.00 33.44 H new ATOM 0 HD3 ARG A 35 -13.617 -3.594 -14.458 1.00 33.44 H new ATOM 0 HE ARG A 35 -15.152 -4.682 -16.706 1.00 74.53 H new ATOM 0 HH11 ARG A 35 -15.297 -2.750 -13.737 1.00 31.41 H new ATOM 0 HH12 ARG A 35 -16.752 -1.884 -14.241 1.00 31.41 H new ATOM 0 HH21 ARG A 35 -17.010 -3.576 -17.339 1.00 52.32 H new ATOM 0 HH22 ARG A 35 -17.721 -2.353 -16.280 1.00 52.32 H new ATOM 559 N CYS A 36 -8.249 -5.578 -14.654 1.00 33.32 N ATOM 560 CA CYS A 36 -7.103 -5.467 -13.764 1.00 44.43 C ATOM 561 C CYS A 36 -6.899 -3.991 -13.397 1.00 51.14 C ATOM 562 O CYS A 36 -7.150 -3.127 -14.209 1.00 61.22 O ATOM 563 CB CYS A 36 -5.838 -6.029 -14.441 1.00 11.51 C ATOM 564 SG CYS A 36 -5.649 -7.861 -14.583 1.00 52.44 S ATOM 0 H CYS A 36 -8.093 -5.178 -15.579 1.00 33.32 H new ATOM 0 HA CYS A 36 -7.288 -6.047 -12.860 1.00 44.43 H new ATOM 0 HB2 CYS A 36 -5.788 -5.612 -15.447 1.00 11.51 H new ATOM 0 HB3 CYS A 36 -4.974 -5.649 -13.896 1.00 11.51 H new ATOM 569 N VAL A 37 -6.471 -3.707 -12.179 1.00 43.45 N ATOM 570 CA VAL A 37 -6.300 -2.335 -11.715 1.00 0.12 C ATOM 571 C VAL A 37 -4.948 -2.212 -11.027 1.00 70.22 C ATOM 572 O VAL A 37 -4.608 -3.035 -10.185 1.00 20.20 O ATOM 573 CB VAL A 37 -7.417 -1.913 -10.704 1.00 71.34 C ATOM 574 CG1 VAL A 37 -7.309 -0.444 -10.342 1.00 41.44 C ATOM 575 CG2 VAL A 37 -8.804 -2.242 -11.226 1.00 21.10 C ATOM 0 H VAL A 37 -6.232 -4.415 -11.484 1.00 43.45 H new ATOM 0 HA VAL A 37 -6.364 -1.678 -12.583 1.00 0.12 H new ATOM 0 HB VAL A 37 -7.262 -2.496 -9.796 1.00 71.34 H new ATOM 0 HG11 VAL A 37 -8.100 -0.184 -9.638 1.00 41.44 H new ATOM 0 HG12 VAL A 37 -6.338 -0.252 -9.885 1.00 41.44 H new ATOM 0 HG13 VAL A 37 -7.411 0.161 -11.243 1.00 41.44 H new ATOM 0 HG21 VAL A 37 -9.551 -1.933 -10.494 1.00 21.10 H new ATOM 0 HG22 VAL A 37 -8.975 -1.714 -12.164 1.00 21.10 H new ATOM 0 HG23 VAL A 37 -8.884 -3.316 -11.395 1.00 21.10 H new ATOM 585 N ILE A 38 -4.185 -1.211 -11.390 1.00 4.51 N ATOM 586 CA ILE A 38 -2.861 -1.023 -10.821 1.00 62.13 C ATOM 587 C ILE A 38 -2.798 0.285 -10.058 1.00 54.45 C ATOM 588 O ILE A 38 -3.061 1.337 -10.622 1.00 23.42 O ATOM 589 CB ILE A 38 -1.739 -1.004 -11.912 1.00 2.53 C ATOM 590 CG1 ILE A 38 -1.854 -2.190 -12.847 1.00 71.32 C ATOM 591 CG2 ILE A 38 -0.356 -0.958 -11.297 1.00 65.11 C ATOM 592 CD1 ILE A 38 -2.705 -1.914 -14.060 1.00 34.22 C ATOM 0 H ILE A 38 -4.454 -0.508 -12.079 1.00 4.51 H new ATOM 0 HA ILE A 38 -2.688 -1.870 -10.157 1.00 62.13 H new ATOM 0 HB ILE A 38 -1.883 -0.092 -12.491 1.00 2.53 H new ATOM 0 HG12 ILE A 38 -0.856 -2.486 -13.172 1.00 71.32 H new ATOM 0 HG13 ILE A 38 -2.275 -3.034 -12.301 1.00 71.32 H new ATOM 0 HG21 ILE A 38 0.394 -0.946 -12.088 1.00 65.11 H new ATOM 0 HG22 ILE A 38 -0.257 -0.058 -10.690 1.00 65.11 H new ATOM 0 HG23 ILE A 38 -0.207 -1.837 -10.670 1.00 65.11 H new ATOM 0 HD11 ILE A 38 -2.745 -2.805 -14.687 1.00 34.22 H new ATOM 0 HD12 ILE A 38 -3.713 -1.647 -13.744 1.00 34.22 H new ATOM 0 HD13 ILE A 38 -2.273 -1.090 -14.628 1.00 34.22 H new ATOM 604 N PHE A 39 -2.465 0.199 -8.790 1.00 44.42 N ATOM 605 CA PHE A 39 -2.293 1.357 -7.924 1.00 22.14 C ATOM 606 C PHE A 39 -0.829 1.674 -7.821 1.00 15.23 C ATOM 607 O PHE A 39 -0.047 0.848 -7.314 1.00 73.21 O ATOM 608 CB PHE A 39 -2.768 1.075 -6.496 1.00 43.52 C ATOM 609 CG PHE A 39 -4.233 0.801 -6.305 1.00 72.25 C ATOM 610 CD1 PHE A 39 -4.845 -0.320 -6.851 1.00 1.11 C ATOM 611 CD2 PHE A 39 -4.996 1.675 -5.560 1.00 23.13 C ATOM 612 CE1 PHE A 39 -6.193 -0.554 -6.653 1.00 2.12 C ATOM 613 CE2 PHE A 39 -6.333 1.453 -5.357 1.00 3.42 C ATOM 614 CZ PHE A 39 -6.940 0.336 -5.904 1.00 4.42 C ATOM 0 H PHE A 39 -2.302 -0.690 -8.318 1.00 44.42 H new ATOM 0 HA PHE A 39 -2.873 2.173 -8.356 1.00 22.14 H new ATOM 0 HB2 PHE A 39 -2.211 0.218 -6.117 1.00 43.52 H new ATOM 0 HB3 PHE A 39 -2.500 1.930 -5.875 1.00 43.52 H new ATOM 0 HD1 PHE A 39 -4.262 -1.016 -7.436 1.00 1.11 H new ATOM 0 HD2 PHE A 39 -4.532 2.550 -5.129 1.00 23.13 H new ATOM 0 HE1 PHE A 39 -6.660 -1.428 -7.082 1.00 2.12 H new ATOM 0 HE2 PHE A 39 -6.913 2.150 -4.770 1.00 3.42 H new ATOM 0 HZ PHE A 39 -7.994 0.160 -5.746 1.00 4.42 H new ATOM 624 N ILE A 40 -0.442 2.824 -8.278 1.00 42.42 N ATOM 625 CA ILE A 40 0.936 3.232 -8.132 1.00 54.12 C ATOM 626 C ILE A 40 1.013 4.020 -6.853 1.00 53.11 C ATOM 627 O ILE A 40 0.340 5.051 -6.728 1.00 4.13 O ATOM 628 CB ILE A 40 1.417 4.148 -9.297 1.00 54.33 C ATOM 629 CG1 ILE A 40 0.943 3.587 -10.639 1.00 11.32 C ATOM 630 CG2 ILE A 40 2.942 4.282 -9.267 1.00 1.31 C ATOM 631 CD1 ILE A 40 1.557 4.235 -11.874 1.00 21.14 C ATOM 0 H ILE A 40 -1.046 3.496 -8.751 1.00 42.42 H new ATOM 0 HA ILE A 40 1.571 2.346 -8.134 1.00 54.12 H new ATOM 0 HB ILE A 40 0.985 5.141 -9.171 1.00 54.33 H new ATOM 0 HG12 ILE A 40 1.161 2.519 -10.664 1.00 11.32 H new ATOM 0 HG13 ILE A 40 -0.140 3.693 -10.695 1.00 11.32 H new ATOM 0 HG21 ILE A 40 3.267 4.924 -10.086 1.00 1.31 H new ATOM 0 HG22 ILE A 40 3.250 4.720 -8.318 1.00 1.31 H new ATOM 0 HG23 ILE A 40 3.396 3.297 -9.376 1.00 1.31 H new ATOM 0 HD11 ILE A 40 1.154 3.764 -12.771 1.00 21.14 H new ATOM 0 HD12 ILE A 40 1.318 5.298 -11.884 1.00 21.14 H new ATOM 0 HD13 ILE A 40 2.639 4.107 -11.852 1.00 21.14 H new ATOM 643 N THR A 41 1.779 3.556 -5.891 1.00 35.23 N ATOM 644 CA THR A 41 1.855 4.260 -4.662 1.00 73.22 C ATOM 645 C THR A 41 3.292 4.651 -4.370 1.00 13.22 C ATOM 646 O THR A 41 4.223 4.096 -4.942 1.00 14.02 O ATOM 647 CB THR A 41 1.277 3.459 -3.451 1.00 4.41 C ATOM 648 OG1 THR A 41 2.122 2.364 -3.122 1.00 33.23 O ATOM 649 CG2 THR A 41 -0.117 2.914 -3.738 1.00 12.52 C ATOM 0 H THR A 41 2.343 2.708 -5.947 1.00 35.23 H new ATOM 0 HA THR A 41 1.236 5.149 -4.781 1.00 73.22 H new ATOM 0 HB THR A 41 1.221 4.159 -2.618 1.00 4.41 H new ATOM 0 HG1 THR A 41 2.688 2.145 -3.891 1.00 33.23 H new ATOM 0 HG21 THR A 41 -0.479 2.365 -2.869 1.00 12.52 H new ATOM 0 HG22 THR A 41 -0.794 3.741 -3.952 1.00 12.52 H new ATOM 0 HG23 THR A 41 -0.077 2.246 -4.598 1.00 12.52 H new ATOM 657 N LYS A 42 3.450 5.574 -3.458 1.00 51.44 N ATOM 658 CA LYS A 42 4.768 6.097 -3.067 1.00 71.02 C ATOM 659 C LYS A 42 5.739 5.086 -2.389 1.00 61.23 C ATOM 660 O LYS A 42 6.923 5.388 -2.208 1.00 23.33 O ATOM 661 CB LYS A 42 4.649 7.438 -2.297 1.00 33.32 C ATOM 662 CG LYS A 42 3.491 7.526 -1.287 1.00 22.22 C ATOM 663 CD LYS A 42 3.539 6.460 -0.206 1.00 24.43 C ATOM 664 CE LYS A 42 2.334 6.577 0.718 1.00 64.32 C ATOM 665 NZ LYS A 42 2.344 5.566 1.796 1.00 2.21 N ATOM 0 H LYS A 42 2.673 5.998 -2.952 1.00 51.44 H new ATOM 0 HA LYS A 42 5.266 6.297 -4.016 1.00 71.02 H new ATOM 0 HB2 LYS A 42 5.584 7.615 -1.766 1.00 33.32 H new ATOM 0 HB3 LYS A 42 4.536 8.244 -3.022 1.00 33.32 H new ATOM 0 HG2 LYS A 42 3.506 8.509 -0.816 1.00 22.22 H new ATOM 0 HG3 LYS A 42 2.546 7.444 -1.824 1.00 22.22 H new ATOM 0 HD2 LYS A 42 3.558 5.471 -0.664 1.00 24.43 H new ATOM 0 HD3 LYS A 42 4.458 6.562 0.372 1.00 24.43 H new ATOM 0 HE2 LYS A 42 2.315 7.573 1.160 1.00 64.32 H new ATOM 0 HE3 LYS A 42 1.421 6.470 0.133 1.00 64.32 H new ATOM 0 HZ1 LYS A 42 1.503 5.690 2.396 1.00 2.21 H new ATOM 0 HZ2 LYS A 42 2.335 4.613 1.379 1.00 2.21 H new ATOM 0 HZ3 LYS A 42 3.201 5.683 2.373 1.00 2.21 H new ATOM 679 N ARG A 43 5.260 3.910 -2.012 1.00 73.12 N ATOM 680 CA ARG A 43 6.153 2.894 -1.426 1.00 1.25 C ATOM 681 C ARG A 43 5.905 1.506 -1.985 1.00 13.13 C ATOM 682 O ARG A 43 6.563 0.544 -1.582 1.00 21.31 O ATOM 683 CB ARG A 43 6.073 2.846 0.109 1.00 34.04 C ATOM 684 CG ARG A 43 6.636 4.058 0.832 1.00 42.03 C ATOM 685 CD ARG A 43 6.551 3.866 2.334 1.00 13.45 C ATOM 686 NE ARG A 43 7.127 4.983 3.086 1.00 44.01 N ATOM 687 CZ ARG A 43 6.924 5.206 4.390 1.00 63.15 C ATOM 688 NH1 ARG A 43 6.149 4.386 5.097 1.00 64.14 N ATOM 689 NH2 ARG A 43 7.511 6.240 4.985 1.00 60.12 N ATOM 0 H ARG A 43 4.283 3.629 -2.094 1.00 73.12 H new ATOM 0 HA ARG A 43 7.157 3.208 -1.710 1.00 1.25 H new ATOM 0 HB2 ARG A 43 5.029 2.726 0.397 1.00 34.04 H new ATOM 0 HB3 ARG A 43 6.604 1.959 0.455 1.00 34.04 H new ATOM 0 HG2 ARG A 43 7.674 4.215 0.537 1.00 42.03 H new ATOM 0 HG3 ARG A 43 6.083 4.952 0.542 1.00 42.03 H new ATOM 0 HD2 ARG A 43 5.507 3.742 2.621 1.00 13.45 H new ATOM 0 HD3 ARG A 43 7.068 2.946 2.607 1.00 13.45 H new ATOM 0 HE ARG A 43 7.725 5.637 2.581 1.00 44.01 H new ATOM 0 HH11 ARG A 43 5.708 3.585 4.645 1.00 64.14 H new ATOM 0 HH12 ARG A 43 5.996 4.559 6.091 1.00 64.14 H new ATOM 0 HH21 ARG A 43 8.115 6.862 4.448 1.00 60.12 H new ATOM 0 HH22 ARG A 43 7.357 6.411 5.979 1.00 60.12 H new ATOM 703 N GLY A 44 4.997 1.384 -2.913 1.00 71.31 N ATOM 704 CA GLY A 44 4.690 0.083 -3.413 1.00 2.21 C ATOM 705 C GLY A 44 3.758 0.111 -4.575 1.00 72.51 C ATOM 706 O GLY A 44 3.389 1.181 -5.067 1.00 73.43 O ATOM 0 H GLY A 44 4.470 2.153 -3.327 1.00 71.31 H new ATOM 0 HA2 GLY A 44 5.614 -0.414 -3.707 1.00 2.21 H new ATOM 0 HA3 GLY A 44 4.248 -0.512 -2.614 1.00 2.21 H new ATOM 710 N LEU A 45 3.361 -1.040 -4.999 1.00 15.24 N ATOM 711 CA LEU A 45 2.490 -1.198 -6.122 1.00 54.21 C ATOM 712 C LEU A 45 1.459 -2.221 -5.798 1.00 20.31 C ATOM 713 O LEU A 45 1.775 -3.309 -5.291 1.00 35.31 O ATOM 714 CB LEU A 45 3.303 -1.636 -7.333 1.00 13.22 C ATOM 715 CG LEU A 45 4.336 -0.631 -7.791 1.00 13.50 C ATOM 716 CD1 LEU A 45 5.282 -1.241 -8.800 1.00 23.31 C ATOM 717 CD2 LEU A 45 3.659 0.597 -8.375 1.00 75.32 C ATOM 0 H LEU A 45 3.638 -1.921 -4.566 1.00 15.24 H new ATOM 0 HA LEU A 45 1.998 -0.252 -6.349 1.00 54.21 H new ATOM 0 HB2 LEU A 45 3.806 -2.574 -7.097 1.00 13.22 H new ATOM 0 HB3 LEU A 45 2.621 -1.839 -8.159 1.00 13.22 H new ATOM 0 HG LEU A 45 4.920 -0.330 -6.921 1.00 13.50 H new ATOM 0 HD11 LEU A 45 6.013 -0.495 -9.111 1.00 23.31 H new ATOM 0 HD12 LEU A 45 5.798 -2.089 -8.349 1.00 23.31 H new ATOM 0 HD13 LEU A 45 4.718 -1.580 -9.669 1.00 23.31 H new ATOM 0 HD21 LEU A 45 4.417 1.310 -8.700 1.00 75.32 H new ATOM 0 HD22 LEU A 45 3.047 0.304 -9.228 1.00 75.32 H new ATOM 0 HD23 LEU A 45 3.027 1.059 -7.617 1.00 75.32 H new ATOM 729 N LYS A 46 0.249 -1.885 -6.048 1.00 51.02 N ATOM 730 CA LYS A 46 -0.837 -2.802 -5.815 1.00 61.14 C ATOM 731 C LYS A 46 -1.462 -3.134 -7.129 1.00 14.41 C ATOM 732 O LYS A 46 -1.941 -2.252 -7.831 1.00 10.24 O ATOM 733 CB LYS A 46 -1.933 -2.195 -4.932 1.00 21.14 C ATOM 734 CG LYS A 46 -3.040 -3.188 -4.555 1.00 15.23 C ATOM 735 CD LYS A 46 -4.316 -2.487 -4.097 1.00 44.51 C ATOM 736 CE LYS A 46 -4.108 -1.510 -2.946 1.00 1.31 C ATOM 737 NZ LYS A 46 -3.653 -2.164 -1.694 1.00 51.25 N ATOM 0 H LYS A 46 -0.031 -0.976 -6.418 1.00 51.02 H new ATOM 0 HA LYS A 46 -0.427 -3.677 -5.311 1.00 61.14 H new ATOM 0 HB2 LYS A 46 -1.479 -1.807 -4.020 1.00 21.14 H new ATOM 0 HB3 LYS A 46 -2.379 -1.347 -5.452 1.00 21.14 H new ATOM 0 HG2 LYS A 46 -3.264 -3.822 -5.413 1.00 15.23 H new ATOM 0 HG3 LYS A 46 -2.682 -3.843 -3.760 1.00 15.23 H new ATOM 0 HD2 LYS A 46 -4.747 -1.950 -4.942 1.00 44.51 H new ATOM 0 HD3 LYS A 46 -5.043 -3.240 -3.794 1.00 44.51 H new ATOM 0 HE2 LYS A 46 -3.374 -0.761 -3.243 1.00 1.31 H new ATOM 0 HE3 LYS A 46 -5.042 -0.983 -2.753 1.00 1.31 H new ATOM 0 HZ1 LYS A 46 -3.531 -1.446 -0.952 1.00 51.25 H new ATOM 0 HZ2 LYS A 46 -4.362 -2.860 -1.388 1.00 51.25 H new ATOM 0 HZ3 LYS A 46 -2.747 -2.645 -1.863 1.00 51.25 H new ATOM 751 N VAL A 47 -1.466 -4.356 -7.460 1.00 12.35 N ATOM 752 CA VAL A 47 -2.145 -4.779 -8.638 1.00 21.40 C ATOM 753 C VAL A 47 -3.328 -5.615 -8.226 1.00 35.43 C ATOM 754 O VAL A 47 -3.229 -6.497 -7.378 1.00 54.03 O ATOM 755 CB VAL A 47 -1.223 -5.531 -9.641 1.00 15.14 C ATOM 756 CG1 VAL A 47 -0.614 -6.766 -9.021 1.00 55.14 C ATOM 757 CG2 VAL A 47 -1.984 -5.883 -10.907 1.00 21.43 C ATOM 0 H VAL A 47 -1.006 -5.100 -6.936 1.00 12.35 H new ATOM 0 HA VAL A 47 -2.483 -3.896 -9.181 1.00 21.40 H new ATOM 0 HB VAL A 47 -0.405 -4.860 -9.903 1.00 15.14 H new ATOM 0 HG11 VAL A 47 0.023 -7.264 -9.752 1.00 55.14 H new ATOM 0 HG12 VAL A 47 -0.018 -6.482 -8.154 1.00 55.14 H new ATOM 0 HG13 VAL A 47 -1.407 -7.445 -8.709 1.00 55.14 H new ATOM 0 HG21 VAL A 47 -1.322 -6.408 -11.595 1.00 21.43 H new ATOM 0 HG22 VAL A 47 -2.830 -6.524 -10.657 1.00 21.43 H new ATOM 0 HG23 VAL A 47 -2.348 -4.970 -11.379 1.00 21.43 H new ATOM 767 N CYS A 48 -4.433 -5.308 -8.750 1.00 72.54 N ATOM 768 CA CYS A 48 -5.612 -6.013 -8.412 1.00 12.24 C ATOM 769 C CYS A 48 -6.238 -6.452 -9.667 1.00 11.21 C ATOM 770 O CYS A 48 -6.046 -5.807 -10.681 1.00 52.35 O ATOM 771 CB CYS A 48 -6.557 -5.109 -7.632 1.00 25.52 C ATOM 772 SG CYS A 48 -8.024 -5.963 -6.987 1.00 54.54 S ATOM 0 H CYS A 48 -4.561 -4.559 -9.430 1.00 72.54 H new ATOM 0 HA CYS A 48 -5.381 -6.873 -7.783 1.00 12.24 H new ATOM 0 HB2 CYS A 48 -6.013 -4.662 -6.800 1.00 25.52 H new ATOM 0 HB3 CYS A 48 -6.879 -4.292 -8.278 1.00 25.52 H new ATOM 777 N CYS A 49 -6.945 -7.539 -9.659 1.00 21.22 N ATOM 778 CA CYS A 49 -7.565 -7.933 -10.869 1.00 62.13 C ATOM 779 C CYS A 49 -8.801 -8.770 -10.616 1.00 1.25 C ATOM 780 O CYS A 49 -8.846 -9.589 -9.682 1.00 55.25 O ATOM 781 CB CYS A 49 -6.569 -8.625 -11.793 1.00 5.41 C ATOM 782 SG CYS A 49 -7.137 -8.714 -13.495 1.00 40.22 S ATOM 0 H CYS A 49 -7.100 -8.146 -8.854 1.00 21.22 H new ATOM 0 HA CYS A 49 -7.904 -7.034 -11.383 1.00 62.13 H new ATOM 0 HB2 CYS A 49 -5.619 -8.091 -11.760 1.00 5.41 H new ATOM 0 HB3 CYS A 49 -6.381 -9.634 -11.425 1.00 5.41 H new ATOM 787 N ASP A 50 -9.794 -8.530 -11.434 1.00 52.23 N ATOM 788 CA ASP A 50 -11.083 -9.155 -11.353 1.00 64.33 C ATOM 789 C ASP A 50 -11.504 -9.558 -12.759 1.00 1.15 C ATOM 790 O ASP A 50 -11.722 -8.703 -13.602 1.00 22.33 O ATOM 791 CB ASP A 50 -12.093 -8.129 -10.836 1.00 74.52 C ATOM 792 CG ASP A 50 -13.460 -8.713 -10.505 1.00 63.14 C ATOM 793 OD1 ASP A 50 -13.673 -9.146 -9.358 1.00 74.21 O ATOM 794 OD2 ASP A 50 -14.334 -8.722 -11.356 1.00 74.43 O ATOM 0 H ASP A 50 -9.720 -7.866 -12.205 1.00 52.23 H new ATOM 0 HA ASP A 50 -11.043 -10.021 -10.692 1.00 64.33 H new ATOM 0 HB2 ASP A 50 -11.687 -7.654 -9.943 1.00 74.52 H new ATOM 0 HB3 ASP A 50 -12.216 -7.347 -11.585 1.00 74.52 H new ATOM 799 N PRO A 51 -11.596 -10.846 -13.053 1.00 10.31 N ATOM 800 CA PRO A 51 -12.065 -11.343 -14.368 1.00 43.00 C ATOM 801 C PRO A 51 -13.596 -11.183 -14.540 1.00 32.31 C ATOM 802 O PRO A 51 -14.224 -11.912 -15.305 1.00 74.22 O ATOM 803 CB PRO A 51 -11.686 -12.824 -14.319 1.00 1.35 C ATOM 804 CG PRO A 51 -11.730 -13.153 -12.876 1.00 40.54 C ATOM 805 CD PRO A 51 -11.230 -11.936 -12.160 1.00 4.41 C ATOM 0 HA PRO A 51 -11.627 -10.796 -15.203 1.00 43.00 H new ATOM 0 HB2 PRO A 51 -12.385 -13.435 -14.890 1.00 1.35 H new ATOM 0 HB3 PRO A 51 -10.695 -12.997 -14.739 1.00 1.35 H new ATOM 0 HG2 PRO A 51 -12.744 -13.401 -12.563 1.00 40.54 H new ATOM 0 HG3 PRO A 51 -11.107 -14.020 -12.654 1.00 40.54 H new ATOM 0 HD2 PRO A 51 -11.695 -11.826 -11.180 1.00 4.41 H new ATOM 0 HD3 PRO A 51 -10.153 -11.979 -11.998 1.00 4.41 H new ATOM 1207 N THR B 210 13.579 -2.908 -8.386 1.00 64.54 N ATOM 1208 CA THR B 210 13.000 -4.193 -8.465 1.00 31.45 C ATOM 1209 C THR B 210 11.744 -4.173 -9.295 1.00 4.32 C ATOM 1210 O THR B 210 11.068 -3.145 -9.395 1.00 4.14 O ATOM 1211 CB THR B 210 12.651 -4.677 -7.052 1.00 0.44 C ATOM 1212 OG1 THR B 210 11.824 -3.679 -6.413 1.00 20.15 O ATOM 1213 CG2 THR B 210 13.915 -4.900 -6.230 1.00 51.14 C ATOM 0 HA THR B 210 13.719 -4.864 -8.935 1.00 31.45 H new ATOM 0 HB THR B 210 12.117 -5.625 -7.118 1.00 0.44 H new ATOM 0 HG1 THR B 210 11.487 -4.029 -5.562 1.00 20.15 H new ATOM 0 HG21 THR B 210 13.644 -5.243 -5.232 1.00 51.14 H new ATOM 0 HG22 THR B 210 14.537 -5.652 -6.716 1.00 51.14 H new ATOM 0 HG23 THR B 210 14.469 -3.965 -6.154 1.00 51.14 H new ATOM 1221 N CYS B 211 11.437 -5.278 -9.872 1.00 25.12 N ATOM 1222 CA CYS B 211 10.202 -5.439 -10.546 1.00 34.42 C ATOM 1223 C CYS B 211 9.534 -6.513 -9.782 1.00 40.13 C ATOM 1224 O CYS B 211 10.209 -7.437 -9.311 1.00 45.44 O ATOM 1225 CB CYS B 211 10.409 -5.952 -11.977 1.00 4.41 C ATOM 1226 SG CYS B 211 11.590 -5.001 -13.001 1.00 63.32 S ATOM 0 H CYS B 211 12.040 -6.101 -9.890 1.00 25.12 H new ATOM 0 HA CYS B 211 9.652 -4.500 -10.606 1.00 34.42 H new ATOM 0 HB2 CYS B 211 10.752 -6.986 -11.926 1.00 4.41 H new ATOM 0 HB3 CYS B 211 9.444 -5.961 -12.483 1.00 4.41 H new ATOM 1231 N VAL B 212 8.265 -6.435 -9.620 1.00 0.43 N ATOM 1232 CA VAL B 212 7.618 -7.416 -8.840 1.00 34.20 C ATOM 1233 C VAL B 212 6.573 -8.133 -9.629 1.00 32.41 C ATOM 1234 O VAL B 212 5.909 -7.550 -10.494 1.00 41.22 O ATOM 1235 CB VAL B 212 7.067 -6.877 -7.483 1.00 64.42 C ATOM 1236 CG1 VAL B 212 8.191 -6.325 -6.613 1.00 54.31 C ATOM 1237 CG2 VAL B 212 5.973 -5.837 -7.660 1.00 52.14 C ATOM 0 H VAL B 212 7.662 -5.712 -10.012 1.00 0.43 H new ATOM 0 HA VAL B 212 8.385 -8.140 -8.566 1.00 34.20 H new ATOM 0 HB VAL B 212 6.616 -7.731 -6.977 1.00 64.42 H new ATOM 0 HG11 VAL B 212 7.777 -5.957 -5.674 1.00 54.31 H new ATOM 0 HG12 VAL B 212 8.913 -7.115 -6.406 1.00 54.31 H new ATOM 0 HG13 VAL B 212 8.688 -5.508 -7.136 1.00 54.31 H new ATOM 0 HG21 VAL B 212 5.630 -5.500 -6.682 1.00 52.14 H new ATOM 0 HG22 VAL B 212 6.365 -4.988 -8.219 1.00 52.14 H new ATOM 0 HG23 VAL B 212 5.138 -6.276 -8.206 1.00 52.14 H new ATOM 1247 N SER B 213 6.440 -9.376 -9.351 1.00 2.32 N ATOM 1248 CA SER B 213 5.531 -10.210 -10.035 1.00 44.43 C ATOM 1249 C SER B 213 4.573 -10.817 -9.054 1.00 41.03 C ATOM 1250 O SER B 213 4.960 -11.574 -8.156 1.00 30.53 O ATOM 1251 CB SER B 213 6.306 -11.283 -10.806 1.00 61.32 C ATOM 1252 OG SER B 213 7.227 -11.967 -9.960 1.00 60.53 O ATOM 0 H SER B 213 6.974 -9.851 -8.624 1.00 2.32 H new ATOM 0 HA SER B 213 4.953 -9.629 -10.754 1.00 44.43 H new ATOM 0 HB2 SER B 213 5.607 -11.998 -11.239 1.00 61.32 H new ATOM 0 HB3 SER B 213 6.844 -10.821 -11.634 1.00 61.32 H new ATOM 0 HG SER B 213 6.817 -12.114 -9.082 1.00 60.53 H new ATOM 1258 N LEU B 214 3.345 -10.482 -9.200 1.00 73.24 N ATOM 1259 CA LEU B 214 2.342 -10.958 -8.340 1.00 14.23 C ATOM 1260 C LEU B 214 1.415 -11.835 -9.082 1.00 72.03 C ATOM 1261 O LEU B 214 0.788 -11.433 -10.072 1.00 41.44 O ATOM 1262 CB LEU B 214 1.644 -9.805 -7.675 1.00 11.45 C ATOM 1263 CG LEU B 214 2.457 -9.115 -6.596 1.00 51.02 C ATOM 1264 CD1 LEU B 214 1.807 -7.806 -6.193 1.00 1.11 C ATOM 1265 CD2 LEU B 214 2.557 -10.053 -5.390 1.00 11.23 C ATOM 0 H LEU B 214 3.009 -9.859 -9.934 1.00 73.24 H new ATOM 0 HA LEU B 214 2.787 -11.561 -7.548 1.00 14.23 H new ATOM 0 HB2 LEU B 214 1.376 -9.071 -8.435 1.00 11.45 H new ATOM 0 HB3 LEU B 214 0.713 -10.164 -7.237 1.00 11.45 H new ATOM 0 HG LEU B 214 3.454 -8.889 -6.975 1.00 51.02 H new ATOM 0 HD11 LEU B 214 2.405 -7.326 -5.418 1.00 1.11 H new ATOM 0 HD12 LEU B 214 1.743 -7.149 -7.061 1.00 1.11 H new ATOM 0 HD13 LEU B 214 0.805 -8.000 -5.810 1.00 1.11 H new ATOM 0 HD21 LEU B 214 3.139 -9.573 -4.603 1.00 11.23 H new ATOM 0 HD22 LEU B 214 1.557 -10.275 -5.018 1.00 11.23 H new ATOM 0 HD23 LEU B 214 3.047 -10.980 -5.689 1.00 11.23 H new ATOM 1277 N THR B 215 1.348 -13.034 -8.642 1.00 21.00 N ATOM 1278 CA THR B 215 0.586 -13.999 -9.303 1.00 4.04 C ATOM 1279 C THR B 215 -0.692 -14.315 -8.545 1.00 51.13 C ATOM 1280 O THR B 215 -0.670 -14.682 -7.362 1.00 55.41 O ATOM 1281 CB THR B 215 1.425 -15.264 -9.562 1.00 71.12 C ATOM 1282 OG1 THR B 215 2.618 -14.879 -10.288 1.00 14.42 O ATOM 1283 CG2 THR B 215 0.648 -16.256 -10.405 1.00 54.05 C ATOM 0 H THR B 215 1.827 -13.367 -7.806 1.00 21.00 H new ATOM 0 HA THR B 215 0.286 -13.593 -10.269 1.00 4.04 H new ATOM 0 HB THR B 215 1.676 -15.728 -8.608 1.00 71.12 H new ATOM 0 HG1 THR B 215 3.166 -15.673 -10.461 1.00 14.42 H new ATOM 0 HG21 THR B 215 1.258 -17.143 -10.577 1.00 54.05 H new ATOM 0 HG22 THR B 215 -0.266 -16.539 -9.883 1.00 54.05 H new ATOM 0 HG23 THR B 215 0.393 -15.800 -11.361 1.00 54.05 H new ATOM 1291 N THR B 216 -1.775 -14.159 -9.237 1.00 13.12 N ATOM 1292 CA THR B 216 -3.075 -14.457 -8.753 1.00 1.01 C ATOM 1293 C THR B 216 -3.440 -15.810 -9.350 1.00 40.54 C ATOM 1294 O THR B 216 -2.736 -16.287 -10.240 1.00 41.14 O ATOM 1295 CB THR B 216 -4.092 -13.335 -9.147 1.00 1.15 C ATOM 1296 OG1 THR B 216 -5.428 -13.666 -8.724 1.00 24.13 O ATOM 1297 CG2 THR B 216 -4.058 -13.037 -10.652 1.00 23.20 C ATOM 0 H THR B 216 -1.772 -13.806 -10.194 1.00 13.12 H new ATOM 0 HA THR B 216 -3.104 -14.500 -7.664 1.00 1.01 H new ATOM 0 HB THR B 216 -3.784 -12.430 -8.624 1.00 1.15 H new ATOM 0 HG1 THR B 216 -5.804 -12.919 -8.213 1.00 24.13 H new ATOM 0 HG21 THR B 216 -4.778 -12.253 -10.884 1.00 23.20 H new ATOM 0 HG22 THR B 216 -3.058 -12.707 -10.935 1.00 23.20 H new ATOM 0 HG23 THR B 216 -4.313 -13.940 -11.207 1.00 23.20 H new ATOM 1305 N GLN B 217 -4.451 -16.460 -8.848 1.00 52.14 N ATOM 1306 CA GLN B 217 -4.728 -17.803 -9.305 1.00 43.14 C ATOM 1307 C GLN B 217 -5.302 -17.922 -10.703 1.00 35.40 C ATOM 1308 O GLN B 217 -6.510 -17.828 -10.920 1.00 52.53 O ATOM 1309 CB GLN B 217 -5.437 -18.660 -8.276 1.00 31.11 C ATOM 1310 CG GLN B 217 -4.575 -18.899 -7.049 1.00 55.50 C ATOM 1311 CD GLN B 217 -3.215 -19.499 -7.406 1.00 31.35 C ATOM 1312 OE1 GLN B 217 -2.238 -18.774 -7.643 1.00 12.11 O ATOM 1313 NE2 GLN B 217 -3.146 -20.793 -7.469 1.00 3.33 N ATOM 0 H GLN B 217 -5.088 -16.098 -8.138 1.00 52.14 H new ATOM 0 HA GLN B 217 -3.734 -18.236 -9.416 1.00 43.14 H new ATOM 0 HB2 GLN B 217 -6.367 -18.175 -7.978 1.00 31.11 H new ATOM 0 HB3 GLN B 217 -5.706 -19.617 -8.723 1.00 31.11 H new ATOM 0 HG2 GLN B 217 -4.427 -17.956 -6.522 1.00 55.50 H new ATOM 0 HG3 GLN B 217 -5.097 -19.568 -6.365 1.00 55.50 H new ATOM 0 HE21 GLN B 217 -3.971 -21.358 -7.267 1.00 3.33 H new ATOM 0 HE22 GLN B 217 -2.267 -21.245 -7.720 1.00 3.33 H new ATOM 1322 N ARG B 218 -4.363 -18.076 -11.634 1.00 23.42 N ATOM 1323 CA ARG B 218 -4.563 -18.343 -13.054 1.00 20.35 C ATOM 1324 C ARG B 218 -5.700 -17.592 -13.741 1.00 33.42 C ATOM 1325 O ARG B 218 -6.817 -18.112 -13.906 1.00 64.14 O ATOM 1326 CB ARG B 218 -4.545 -19.844 -13.398 1.00 3.15 C ATOM 1327 CG ARG B 218 -5.608 -20.681 -12.710 1.00 72.25 C ATOM 1328 CD ARG B 218 -5.521 -22.128 -13.136 1.00 12.23 C ATOM 1329 NE ARG B 218 -4.259 -22.752 -12.717 1.00 20.00 N ATOM 1330 CZ ARG B 218 -3.846 -23.962 -13.082 1.00 0.35 C ATOM 1331 NH1 ARG B 218 -4.559 -24.678 -13.938 1.00 50.23 N ATOM 1332 NH2 ARG B 218 -2.718 -24.452 -12.583 1.00 22.43 N ATOM 0 H ARG B 218 -3.373 -18.013 -11.398 1.00 23.42 H new ATOM 0 HA ARG B 218 -3.675 -17.897 -13.501 1.00 20.35 H new ATOM 0 HB2 ARG B 218 -4.661 -19.954 -14.476 1.00 3.15 H new ATOM 0 HB3 ARG B 218 -3.566 -20.247 -13.140 1.00 3.15 H new ATOM 0 HG2 ARG B 218 -5.489 -20.609 -11.629 1.00 72.25 H new ATOM 0 HG3 ARG B 218 -6.596 -20.287 -12.948 1.00 72.25 H new ATOM 0 HD2 ARG B 218 -6.358 -22.682 -12.710 1.00 12.23 H new ATOM 0 HD3 ARG B 218 -5.615 -22.193 -14.220 1.00 12.23 H new ATOM 0 HE ARG B 218 -3.652 -22.215 -12.098 1.00 20.00 H new ATOM 0 HH11 ARG B 218 -5.427 -24.301 -14.319 1.00 50.23 H new ATOM 0 HH12 ARG B 218 -4.240 -25.606 -14.216 1.00 50.23 H new ATOM 0 HH21 ARG B 218 -2.171 -23.901 -11.922 1.00 22.43 H new ATOM 0 HH22 ARG B 218 -2.398 -25.380 -12.861 1.00 22.43 H new ATOM 1346 N LEU B 219 -5.428 -16.372 -14.111 1.00 21.41 N ATOM 1347 CA LEU B 219 -6.352 -15.614 -14.902 1.00 11.23 C ATOM 1348 C LEU B 219 -5.856 -15.660 -16.333 1.00 42.32 C ATOM 1349 O LEU B 219 -4.850 -15.035 -16.667 1.00 62.21 O ATOM 1350 CB LEU B 219 -6.482 -14.166 -14.403 1.00 35.23 C ATOM 1351 CG LEU B 219 -6.990 -13.991 -12.961 1.00 30.43 C ATOM 1352 CD1 LEU B 219 -7.134 -12.518 -12.619 1.00 33.35 C ATOM 1353 CD2 LEU B 219 -8.312 -14.719 -12.754 1.00 44.22 C ATOM 0 H LEU B 219 -4.567 -15.880 -13.874 1.00 21.41 H new ATOM 0 HA LEU B 219 -7.350 -16.045 -14.826 1.00 11.23 H new ATOM 0 HB2 LEU B 219 -5.507 -13.686 -14.484 1.00 35.23 H new ATOM 0 HB3 LEU B 219 -7.157 -13.632 -15.072 1.00 35.23 H new ATOM 0 HG LEU B 219 -6.253 -14.432 -12.290 1.00 30.43 H new ATOM 0 HD11 LEU B 219 -7.494 -12.416 -11.595 1.00 33.35 H new ATOM 0 HD12 LEU B 219 -6.166 -12.026 -12.714 1.00 33.35 H new ATOM 0 HD13 LEU B 219 -7.845 -12.054 -13.302 1.00 33.35 H new ATOM 0 HD21 LEU B 219 -8.648 -14.579 -11.727 1.00 44.22 H new ATOM 0 HD22 LEU B 219 -9.060 -14.317 -13.438 1.00 44.22 H new ATOM 0 HD23 LEU B 219 -8.176 -15.783 -12.949 1.00 44.22 H new ATOM 1365 N PRO B 220 -6.526 -16.439 -17.191 1.00 65.22 N ATOM 1366 CA PRO B 220 -6.064 -16.666 -18.543 1.00 44.14 C ATOM 1367 C PRO B 220 -6.180 -15.442 -19.430 1.00 22.11 C ATOM 1368 O PRO B 220 -7.139 -14.674 -19.339 1.00 2.33 O ATOM 1369 CB PRO B 220 -6.960 -17.799 -19.055 1.00 21.24 C ATOM 1370 CG PRO B 220 -8.205 -17.698 -18.246 1.00 3.10 C ATOM 1371 CD PRO B 220 -7.798 -17.140 -16.910 1.00 63.22 C ATOM 0 HA PRO B 220 -5.002 -16.910 -18.560 1.00 44.14 H new ATOM 0 HB2 PRO B 220 -7.170 -17.687 -20.119 1.00 21.24 H new ATOM 0 HB3 PRO B 220 -6.482 -18.770 -18.925 1.00 21.24 H new ATOM 0 HG2 PRO B 220 -8.933 -17.049 -18.733 1.00 3.10 H new ATOM 0 HG3 PRO B 220 -8.675 -18.675 -18.132 1.00 3.10 H new ATOM 0 HD2 PRO B 220 -8.551 -16.458 -16.515 1.00 63.22 H new ATOM 0 HD3 PRO B 220 -7.664 -17.930 -16.171 1.00 63.22 H new ATOM 1379 N VAL B 221 -5.188 -15.266 -20.270 1.00 63.23 N ATOM 1380 CA VAL B 221 -5.143 -14.199 -21.239 1.00 33.24 C ATOM 1381 C VAL B 221 -4.658 -14.793 -22.541 1.00 31.31 C ATOM 1382 O VAL B 221 -4.133 -15.914 -22.549 1.00 31.41 O ATOM 1383 CB VAL B 221 -4.200 -13.014 -20.823 1.00 62.53 C ATOM 1384 CG1 VAL B 221 -4.639 -12.386 -19.507 1.00 13.43 C ATOM 1385 CG2 VAL B 221 -2.739 -13.450 -20.754 1.00 53.25 C ATOM 0 H VAL B 221 -4.371 -15.876 -20.299 1.00 63.23 H new ATOM 0 HA VAL B 221 -6.143 -13.774 -21.323 1.00 33.24 H new ATOM 0 HB VAL B 221 -4.283 -12.256 -21.602 1.00 62.53 H new ATOM 0 HG11 VAL B 221 -3.964 -11.570 -19.250 1.00 13.43 H new ATOM 0 HG12 VAL B 221 -5.653 -12.000 -19.609 1.00 13.43 H new ATOM 0 HG13 VAL B 221 -4.615 -13.138 -18.719 1.00 13.43 H new ATOM 0 HG21 VAL B 221 -2.119 -12.602 -20.463 1.00 53.25 H new ATOM 0 HG22 VAL B 221 -2.632 -14.247 -20.018 1.00 53.25 H new ATOM 0 HG23 VAL B 221 -2.421 -13.813 -21.731 1.00 53.25 H new ATOM 1395 N SER B 222 -4.859 -14.104 -23.622 1.00 72.20 N ATOM 1396 CA SER B 222 -4.402 -14.586 -24.900 1.00 4.35 C ATOM 1397 C SER B 222 -3.021 -14.006 -25.256 1.00 61.52 C ATOM 1398 O SER B 222 -2.209 -14.656 -25.924 1.00 5.01 O ATOM 1399 CB SER B 222 -5.425 -14.232 -25.976 1.00 31.30 C ATOM 1400 OG SER B 222 -6.705 -14.786 -25.662 1.00 21.51 O ATOM 0 H SER B 222 -5.337 -13.203 -23.650 1.00 72.20 H new ATOM 0 HA SER B 222 -4.298 -15.670 -24.844 1.00 4.35 H new ATOM 0 HB2 SER B 222 -5.505 -13.149 -26.066 1.00 31.30 H new ATOM 0 HB3 SER B 222 -5.088 -14.608 -26.942 1.00 31.30 H new ATOM 0 HG SER B 222 -7.346 -14.546 -26.363 1.00 21.51 H new ATOM 1406 N ARG B 223 -2.743 -12.811 -24.790 1.00 62.01 N ATOM 1407 CA ARG B 223 -1.514 -12.118 -25.143 1.00 1.31 C ATOM 1408 C ARG B 223 -0.809 -11.560 -23.911 1.00 75.21 C ATOM 1409 O ARG B 223 -1.396 -10.787 -23.153 1.00 42.31 O ATOM 1410 CB ARG B 223 -1.849 -10.974 -26.130 1.00 35.31 C ATOM 1411 CG ARG B 223 -0.685 -10.048 -26.525 1.00 3.12 C ATOM 1412 CD ARG B 223 0.434 -10.763 -27.265 1.00 41.20 C ATOM 1413 NE ARG B 223 1.486 -9.812 -27.669 1.00 41.33 N ATOM 1414 CZ ARG B 223 2.578 -10.114 -28.383 1.00 33.51 C ATOM 1415 NH1 ARG B 223 2.818 -11.367 -28.745 1.00 74.13 N ATOM 1416 NH2 ARG B 223 3.434 -9.148 -28.722 1.00 34.40 N ATOM 0 H ARG B 223 -3.353 -12.290 -24.160 1.00 62.01 H new ATOM 0 HA ARG B 223 -0.835 -12.831 -25.611 1.00 1.31 H new ATOM 0 HB2 ARG B 223 -2.258 -11.416 -27.039 1.00 35.31 H new ATOM 0 HB3 ARG B 223 -2.637 -10.363 -25.690 1.00 35.31 H new ATOM 0 HG2 ARG B 223 -1.068 -9.243 -27.152 1.00 3.12 H new ATOM 0 HG3 ARG B 223 -0.278 -9.585 -25.626 1.00 3.12 H new ATOM 0 HD2 ARG B 223 0.862 -11.536 -26.627 1.00 41.20 H new ATOM 0 HD3 ARG B 223 0.032 -11.263 -28.146 1.00 41.20 H new ATOM 0 HE ARG B 223 1.372 -8.841 -27.380 1.00 41.33 H new ATOM 0 HH11 ARG B 223 2.169 -12.108 -28.480 1.00 74.13 H new ATOM 0 HH12 ARG B 223 3.652 -11.590 -29.289 1.00 74.13 H new ATOM 0 HH21 ARG B 223 3.255 -8.185 -28.437 1.00 34.40 H new ATOM 0 HH22 ARG B 223 4.267 -9.373 -29.266 1.00 34.40 H new ATOM 1430 N ILE B 224 0.441 -11.971 -23.716 1.00 62.45 N ATOM 1431 CA ILE B 224 1.283 -11.408 -22.665 1.00 31.52 C ATOM 1432 C ILE B 224 1.688 -10.045 -23.180 1.00 64.14 C ATOM 1433 O ILE B 224 2.404 -9.946 -24.186 1.00 54.21 O ATOM 1434 CB ILE B 224 2.582 -12.258 -22.437 1.00 60.23 C ATOM 1435 CG1 ILE B 224 2.267 -13.763 -22.226 1.00 21.51 C ATOM 1436 CG2 ILE B 224 3.399 -11.709 -21.264 1.00 53.12 C ATOM 1437 CD1 ILE B 224 1.425 -14.080 -21.034 1.00 14.03 C ATOM 0 H ILE B 224 0.894 -12.694 -24.274 1.00 62.45 H new ATOM 0 HA ILE B 224 0.746 -11.381 -21.717 1.00 31.52 H new ATOM 0 HB ILE B 224 3.179 -12.175 -23.345 1.00 60.23 H new ATOM 0 HG12 ILE B 224 1.763 -14.140 -23.116 1.00 21.51 H new ATOM 0 HG13 ILE B 224 3.209 -14.305 -22.139 1.00 21.51 H new ATOM 0 HG21 ILE B 224 4.294 -12.317 -21.128 1.00 53.12 H new ATOM 0 HG22 ILE B 224 3.688 -10.679 -21.472 1.00 53.12 H new ATOM 0 HG23 ILE B 224 2.798 -11.740 -20.355 1.00 53.12 H new ATOM 0 HD11 ILE B 224 1.264 -15.157 -20.978 1.00 14.03 H new ATOM 0 HD12 ILE B 224 1.932 -13.742 -20.130 1.00 14.03 H new ATOM 0 HD13 ILE B 224 0.464 -13.573 -21.122 1.00 14.03 H new ATOM 1449 N LYS B 225 1.214 -9.013 -22.554 1.00 64.23 N ATOM 1450 CA LYS B 225 1.429 -7.687 -23.059 1.00 30.21 C ATOM 1451 C LYS B 225 2.033 -6.805 -22.004 1.00 3.24 C ATOM 1452 O LYS B 225 1.972 -7.127 -20.814 1.00 72.10 O ATOM 1453 CB LYS B 225 0.097 -7.120 -23.531 1.00 62.23 C ATOM 1454 CG LYS B 225 -0.920 -6.924 -22.425 1.00 30.54 C ATOM 1455 CD LYS B 225 -2.269 -6.599 -22.996 1.00 63.05 C ATOM 1456 CE LYS B 225 -2.871 -7.820 -23.668 1.00 71.52 C ATOM 1457 NZ LYS B 225 -4.015 -7.492 -24.531 1.00 3.30 N ATOM 0 H LYS B 225 0.674 -9.060 -21.690 1.00 64.23 H new ATOM 0 HA LYS B 225 2.128 -7.727 -23.895 1.00 30.21 H new ATOM 0 HB2 LYS B 225 0.275 -6.162 -24.020 1.00 62.23 H new ATOM 0 HB3 LYS B 225 -0.324 -7.788 -24.283 1.00 62.23 H new ATOM 0 HG2 LYS B 225 -0.984 -7.828 -21.819 1.00 30.54 H new ATOM 0 HG3 LYS B 225 -0.596 -6.120 -21.765 1.00 30.54 H new ATOM 0 HD2 LYS B 225 -2.931 -6.249 -22.204 1.00 63.05 H new ATOM 0 HD3 LYS B 225 -2.179 -5.787 -23.718 1.00 63.05 H new ATOM 0 HE2 LYS B 225 -2.104 -8.316 -24.263 1.00 71.52 H new ATOM 0 HE3 LYS B 225 -3.190 -8.529 -22.904 1.00 71.52 H new ATOM 0 HZ1 LYS B 225 -4.659 -8.308 -24.579 1.00 3.30 H new ATOM 0 HZ2 LYS B 225 -4.522 -6.673 -24.139 1.00 3.30 H new ATOM 0 HZ3 LYS B 225 -3.675 -7.263 -25.487 1.00 3.30 H new ATOM 1471 N THR B 226 2.607 -5.706 -22.434 1.00 2.34 N ATOM 1472 CA THR B 226 3.199 -4.766 -21.542 1.00 51.11 C ATOM 1473 C THR B 226 2.604 -3.380 -21.703 1.00 21.31 C ATOM 1474 O THR B 226 2.328 -2.932 -22.819 1.00 30.52 O ATOM 1475 CB THR B 226 4.742 -4.707 -21.678 1.00 75.52 C ATOM 1476 OG1 THR B 226 5.133 -4.576 -23.063 1.00 42.35 O ATOM 1477 CG2 THR B 226 5.403 -5.922 -21.058 1.00 62.12 C ATOM 0 H THR B 226 2.671 -5.447 -23.419 1.00 2.34 H new ATOM 0 HA THR B 226 2.969 -5.123 -20.538 1.00 51.11 H new ATOM 0 HB THR B 226 5.082 -3.825 -21.135 1.00 75.52 H new ATOM 0 HG1 THR B 226 6.110 -4.539 -23.125 1.00 42.35 H new ATOM 0 HG21 THR B 226 6.484 -5.846 -21.172 1.00 62.12 H new ATOM 0 HG22 THR B 226 5.153 -5.971 -19.998 1.00 62.12 H new ATOM 0 HG23 THR B 226 5.048 -6.824 -21.557 1.00 62.12 H new ATOM 1485 N TYR B 227 2.354 -2.749 -20.589 1.00 54.31 N ATOM 1486 CA TYR B 227 1.918 -1.372 -20.539 1.00 61.22 C ATOM 1487 C TYR B 227 2.988 -0.568 -19.864 1.00 65.45 C ATOM 1488 O TYR B 227 3.512 -0.989 -18.838 1.00 60.24 O ATOM 1489 CB TYR B 227 0.575 -1.233 -19.800 1.00 34.13 C ATOM 1490 CG TYR B 227 -0.586 -1.812 -20.569 1.00 43.20 C ATOM 1491 CD1 TYR B 227 -1.291 -1.031 -21.472 1.00 13.12 C ATOM 1492 CD2 TYR B 227 -0.967 -3.132 -20.411 1.00 0.32 C ATOM 1493 CE1 TYR B 227 -2.336 -1.549 -22.196 1.00 31.54 C ATOM 1494 CE2 TYR B 227 -2.017 -3.657 -21.129 1.00 33.20 C ATOM 1495 CZ TYR B 227 -2.699 -2.860 -22.024 1.00 74.43 C ATOM 1496 OH TYR B 227 -3.743 -3.381 -22.765 1.00 11.34 O ATOM 0 H TYR B 227 2.448 -3.182 -19.670 1.00 54.31 H new ATOM 0 HA TYR B 227 1.756 -1.003 -21.552 1.00 61.22 H new ATOM 0 HB2 TYR B 227 0.646 -1.730 -18.833 1.00 34.13 H new ATOM 0 HB3 TYR B 227 0.383 -0.178 -19.603 1.00 34.13 H new ATOM 0 HD1 TYR B 227 -1.013 0.004 -21.608 1.00 13.12 H new ATOM 0 HD2 TYR B 227 -0.433 -3.760 -19.714 1.00 0.32 H new ATOM 0 HE1 TYR B 227 -2.870 -0.926 -22.898 1.00 31.54 H new ATOM 0 HE2 TYR B 227 -2.306 -4.689 -20.992 1.00 33.20 H new ATOM 0 HH TYR B 227 -4.391 -3.805 -22.164 1.00 11.34 H new ATOM 1506 N THR B 228 3.339 0.552 -20.434 1.00 41.32 N ATOM 1507 CA THR B 228 4.394 1.342 -19.882 1.00 30.41 C ATOM 1508 C THR B 228 3.864 2.694 -19.377 1.00 11.23 C ATOM 1509 O THR B 228 3.278 3.484 -20.129 1.00 10.23 O ATOM 1510 CB THR B 228 5.546 1.532 -20.896 1.00 23.43 C ATOM 1511 OG1 THR B 228 5.904 0.238 -21.422 1.00 53.35 O ATOM 1512 CG2 THR B 228 6.773 2.117 -20.204 1.00 24.34 C ATOM 0 H THR B 228 2.909 0.933 -21.277 1.00 41.32 H new ATOM 0 HA THR B 228 4.800 0.803 -19.026 1.00 30.41 H new ATOM 0 HB THR B 228 5.219 2.208 -21.686 1.00 23.43 H new ATOM 0 HG1 THR B 228 6.633 0.338 -22.069 1.00 53.35 H new ATOM 0 HG21 THR B 228 7.575 2.245 -20.931 1.00 24.34 H new ATOM 0 HG22 THR B 228 6.519 3.084 -19.770 1.00 24.34 H new ATOM 0 HG23 THR B 228 7.103 1.441 -19.415 1.00 24.34 H new ATOM 1520 N ILE B 229 4.089 2.936 -18.113 1.00 1.40 N ATOM 1521 CA ILE B 229 3.638 4.122 -17.427 1.00 64.34 C ATOM 1522 C ILE B 229 4.820 5.078 -17.283 1.00 64.12 C ATOM 1523 O ILE B 229 5.937 4.640 -17.099 1.00 43.11 O ATOM 1524 CB ILE B 229 3.131 3.747 -15.999 1.00 3.42 C ATOM 1525 CG1 ILE B 229 1.981 2.744 -16.069 1.00 55.50 C ATOM 1526 CG2 ILE B 229 2.714 4.974 -15.238 1.00 25.55 C ATOM 1527 CD1 ILE B 229 1.472 2.254 -14.756 1.00 50.24 C ATOM 0 H ILE B 229 4.607 2.295 -17.512 1.00 1.40 H new ATOM 0 HA ILE B 229 2.830 4.585 -17.993 1.00 64.34 H new ATOM 0 HB ILE B 229 3.958 3.278 -15.466 1.00 3.42 H new ATOM 0 HG12 ILE B 229 1.154 3.204 -16.610 1.00 55.50 H new ATOM 0 HG13 ILE B 229 2.307 1.885 -16.655 1.00 55.50 H new ATOM 0 HG21 ILE B 229 2.365 4.686 -14.246 1.00 25.55 H new ATOM 0 HG22 ILE B 229 3.565 5.649 -15.141 1.00 25.55 H new ATOM 0 HG23 ILE B 229 1.910 5.478 -15.774 1.00 25.55 H new ATOM 0 HD11 ILE B 229 0.658 1.548 -14.922 1.00 50.24 H new ATOM 0 HD12 ILE B 229 2.278 1.758 -14.215 1.00 50.24 H new ATOM 0 HD13 ILE B 229 1.107 3.097 -14.170 1.00 50.24 H new ATOM 1539 N THR B 230 4.568 6.344 -17.422 1.00 15.11 N ATOM 1540 CA THR B 230 5.588 7.372 -17.275 1.00 14.42 C ATOM 1541 C THR B 230 5.057 8.545 -16.436 1.00 40.51 C ATOM 1542 O THR B 230 4.409 9.450 -16.974 1.00 32.03 O ATOM 1543 CB THR B 230 6.125 7.867 -18.652 1.00 33.03 C ATOM 1544 OG1 THR B 230 5.023 8.248 -19.499 1.00 41.23 O ATOM 1545 CG2 THR B 230 6.949 6.792 -19.356 1.00 24.13 C ATOM 0 H THR B 230 3.642 6.710 -17.643 1.00 15.11 H new ATOM 0 HA THR B 230 6.430 6.922 -16.749 1.00 14.42 H new ATOM 0 HB THR B 230 6.770 8.725 -18.464 1.00 33.03 H new ATOM 0 HG1 THR B 230 4.423 8.846 -19.006 1.00 41.23 H new ATOM 0 HG21 THR B 230 7.306 7.175 -20.312 1.00 24.13 H new ATOM 0 HG22 THR B 230 7.801 6.521 -18.733 1.00 24.13 H new ATOM 0 HG23 THR B 230 6.329 5.912 -19.526 1.00 24.13 H new ATOM 1553 N GLU B 231 5.294 8.521 -15.126 1.00 52.12 N ATOM 1554 CA GLU B 231 4.735 9.544 -14.245 1.00 63.14 C ATOM 1555 C GLU B 231 5.818 10.295 -13.507 1.00 1.34 C ATOM 1556 O GLU B 231 6.335 9.802 -12.514 1.00 74.31 O ATOM 1557 CB GLU B 231 3.799 8.939 -13.186 1.00 23.42 C ATOM 1558 CG GLU B 231 2.730 8.019 -13.711 1.00 11.03 C ATOM 1559 CD GLU B 231 1.948 8.615 -14.851 1.00 52.35 C ATOM 1560 OE1 GLU B 231 1.403 9.726 -14.691 1.00 50.31 O ATOM 1561 OE2 GLU B 231 1.828 7.981 -15.892 1.00 11.54 O ATOM 0 H GLU B 231 5.861 7.815 -14.656 1.00 52.12 H new ATOM 0 HA GLU B 231 4.179 10.219 -14.896 1.00 63.14 H new ATOM 0 HB2 GLU B 231 4.404 8.390 -12.464 1.00 23.42 H new ATOM 0 HB3 GLU B 231 3.318 9.754 -12.644 1.00 23.42 H new ATOM 0 HG2 GLU B 231 3.190 7.088 -14.041 1.00 11.03 H new ATOM 0 HG3 GLU B 231 2.046 7.767 -12.901 1.00 11.03 H new ATOM 1568 N GLY B 232 6.156 11.467 -13.984 1.00 5.05 N ATOM 1569 CA GLY B 232 7.125 12.308 -13.297 1.00 1.44 C ATOM 1570 C GLY B 232 8.486 11.652 -13.140 1.00 70.44 C ATOM 1571 O GLY B 232 8.958 11.446 -12.005 1.00 44.25 O ATOM 0 H GLY B 232 5.779 11.867 -14.844 1.00 5.05 H new ATOM 0 HA2 GLY B 232 7.241 13.241 -13.848 1.00 1.44 H new ATOM 0 HA3 GLY B 232 6.738 12.566 -12.311 1.00 1.44 H new ATOM 1575 N SER B 233 9.093 11.295 -14.278 1.00 3.32 N ATOM 1576 CA SER B 233 10.421 10.671 -14.337 1.00 63.42 C ATOM 1577 C SER B 233 10.399 9.222 -13.820 1.00 72.45 C ATOM 1578 O SER B 233 11.448 8.607 -13.593 1.00 4.02 O ATOM 1579 CB SER B 233 11.470 11.527 -13.599 1.00 52.41 C ATOM 1580 OG SER B 233 11.542 12.839 -14.169 1.00 35.51 O ATOM 0 H SER B 233 8.670 11.433 -15.196 1.00 3.32 H new ATOM 0 HA SER B 233 10.713 10.624 -15.386 1.00 63.42 H new ATOM 0 HB2 SER B 233 11.212 11.597 -12.542 1.00 52.41 H new ATOM 0 HB3 SER B 233 12.446 11.045 -13.657 1.00 52.41 H new ATOM 0 HG SER B 233 12.211 13.369 -13.687 1.00 35.51 H new ATOM 1586 N LEU B 234 9.211 8.682 -13.697 1.00 31.24 N ATOM 1587 CA LEU B 234 9.006 7.330 -13.244 1.00 61.14 C ATOM 1588 C LEU B 234 8.459 6.520 -14.394 1.00 2.12 C ATOM 1589 O LEU B 234 7.456 6.887 -14.983 1.00 51.14 O ATOM 1590 CB LEU B 234 8.032 7.348 -12.017 1.00 21.51 C ATOM 1591 CG LEU B 234 7.587 6.011 -11.342 1.00 5.33 C ATOM 1592 CD1 LEU B 234 6.615 5.206 -12.206 1.00 12.44 C ATOM 1593 CD2 LEU B 234 8.794 5.168 -10.972 1.00 33.22 C ATOM 0 H LEU B 234 8.346 9.178 -13.913 1.00 31.24 H new ATOM 0 HA LEU B 234 9.940 6.871 -12.919 1.00 61.14 H new ATOM 0 HB2 LEU B 234 8.498 7.960 -11.244 1.00 21.51 H new ATOM 0 HB3 LEU B 234 7.127 7.867 -12.332 1.00 21.51 H new ATOM 0 HG LEU B 234 7.051 6.284 -10.433 1.00 5.33 H new ATOM 0 HD11 LEU B 234 6.341 4.288 -11.686 1.00 12.44 H new ATOM 0 HD12 LEU B 234 5.719 5.798 -12.394 1.00 12.44 H new ATOM 0 HD13 LEU B 234 7.091 4.957 -13.154 1.00 12.44 H new ATOM 0 HD21 LEU B 234 8.461 4.242 -10.503 1.00 33.22 H new ATOM 0 HD22 LEU B 234 9.365 4.935 -11.871 1.00 33.22 H new ATOM 0 HD23 LEU B 234 9.424 5.721 -10.275 1.00 33.22 H new ATOM 1605 N ARG B 235 9.112 5.441 -14.710 1.00 11.13 N ATOM 1606 CA ARG B 235 8.667 4.563 -15.769 1.00 22.23 C ATOM 1607 C ARG B 235 8.129 3.312 -15.137 1.00 65.33 C ATOM 1608 O ARG B 235 8.603 2.917 -14.127 1.00 22.22 O ATOM 1609 CB ARG B 235 9.823 4.203 -16.696 1.00 51.13 C ATOM 1610 CG ARG B 235 10.437 5.376 -17.439 1.00 63.00 C ATOM 1611 CD ARG B 235 11.585 4.899 -18.305 1.00 5.14 C ATOM 1612 NE ARG B 235 12.237 5.989 -19.048 1.00 41.33 N ATOM 1613 CZ ARG B 235 12.880 5.819 -20.214 1.00 25.31 C ATOM 1614 NH1 ARG B 235 12.860 4.639 -20.819 1.00 23.30 N ATOM 1615 NH2 ARG B 235 13.528 6.832 -20.785 1.00 63.52 N ATOM 0 H ARG B 235 9.968 5.139 -14.246 1.00 11.13 H new ATOM 0 HA ARG B 235 7.900 5.064 -16.360 1.00 22.23 H new ATOM 0 HB2 ARG B 235 10.602 3.716 -16.109 1.00 51.13 H new ATOM 0 HB3 ARG B 235 9.471 3.474 -17.426 1.00 51.13 H new ATOM 0 HG2 ARG B 235 9.682 5.861 -18.057 1.00 63.00 H new ATOM 0 HG3 ARG B 235 10.793 6.121 -16.728 1.00 63.00 H new ATOM 0 HD2 ARG B 235 12.324 4.402 -17.677 1.00 5.14 H new ATOM 0 HD3 ARG B 235 11.215 4.156 -19.011 1.00 5.14 H new ATOM 0 HE ARG B 235 12.198 6.929 -18.654 1.00 41.33 H new ATOM 0 HH11 ARG B 235 12.355 3.859 -20.398 1.00 23.30 H new ATOM 0 HH12 ARG B 235 13.349 4.512 -21.705 1.00 23.30 H new ATOM 0 HH21 ARG B 235 13.539 7.748 -20.336 1.00 63.52 H new ATOM 0 HH22 ARG B 235 14.013 6.692 -21.671 1.00 63.52 H new ATOM 1629 N CYS B 236 7.124 2.738 -15.676 1.00 41.42 N ATOM 1630 CA CYS B 236 6.630 1.506 -15.129 1.00 60.03 C ATOM 1631 C CYS B 236 6.251 0.572 -16.253 1.00 50.25 C ATOM 1632 O CYS B 236 5.741 1.013 -17.256 1.00 30.54 O ATOM 1633 CB CYS B 236 5.431 1.757 -14.238 1.00 54.34 C ATOM 1634 SG CYS B 236 5.251 0.499 -12.917 1.00 12.40 S ATOM 0 H CYS B 236 6.620 3.087 -16.491 1.00 41.42 H new ATOM 0 HA CYS B 236 7.415 1.051 -14.525 1.00 60.03 H new ATOM 0 HB2 CYS B 236 5.522 2.744 -13.784 1.00 54.34 H new ATOM 0 HB3 CYS B 236 4.527 1.769 -14.848 1.00 54.34 H new ATOM 1639 N VAL B 237 6.512 -0.700 -16.099 1.00 51.44 N ATOM 1640 CA VAL B 237 6.163 -1.674 -17.118 1.00 22.21 C ATOM 1641 C VAL B 237 5.296 -2.750 -16.485 1.00 71.11 C ATOM 1642 O VAL B 237 5.635 -3.283 -15.429 1.00 53.25 O ATOM 1643 CB VAL B 237 7.418 -2.331 -17.762 1.00 52.01 C ATOM 1644 CG1 VAL B 237 7.031 -3.243 -18.913 1.00 53.45 C ATOM 1645 CG2 VAL B 237 8.427 -1.286 -18.209 1.00 74.24 C ATOM 0 H VAL B 237 6.967 -1.094 -15.276 1.00 51.44 H new ATOM 0 HA VAL B 237 5.626 -1.156 -17.912 1.00 22.21 H new ATOM 0 HB VAL B 237 7.895 -2.942 -16.996 1.00 52.01 H new ATOM 0 HG11 VAL B 237 7.929 -3.687 -19.343 1.00 53.45 H new ATOM 0 HG12 VAL B 237 6.375 -4.033 -18.547 1.00 53.45 H new ATOM 0 HG13 VAL B 237 6.511 -2.664 -19.677 1.00 53.45 H new ATOM 0 HG21 VAL B 237 9.290 -1.781 -18.654 1.00 74.24 H new ATOM 0 HG22 VAL B 237 7.967 -0.627 -18.946 1.00 74.24 H new ATOM 0 HG23 VAL B 237 8.749 -0.699 -17.349 1.00 74.24 H new ATOM 1655 N ILE B 238 4.184 -3.043 -17.109 1.00 4.40 N ATOM 1656 CA ILE B 238 3.243 -4.026 -16.601 1.00 73.02 C ATOM 1657 C ILE B 238 3.129 -5.190 -17.577 1.00 3.22 C ATOM 1658 O ILE B 238 2.739 -4.991 -18.712 1.00 22.23 O ATOM 1659 CB ILE B 238 1.831 -3.397 -16.469 1.00 1.13 C ATOM 1660 CG1 ILE B 238 1.871 -2.136 -15.605 1.00 23.12 C ATOM 1661 CG2 ILE B 238 0.842 -4.413 -15.880 1.00 53.00 C ATOM 1662 CD1 ILE B 238 0.554 -1.395 -15.568 1.00 3.03 C ATOM 0 H ILE B 238 3.899 -2.609 -17.987 1.00 4.40 H new ATOM 0 HA ILE B 238 3.604 -4.367 -15.631 1.00 73.02 H new ATOM 0 HB ILE B 238 1.493 -3.117 -17.467 1.00 1.13 H new ATOM 0 HG12 ILE B 238 2.155 -2.409 -14.589 1.00 23.12 H new ATOM 0 HG13 ILE B 238 2.645 -1.469 -15.984 1.00 23.12 H new ATOM 0 HG21 ILE B 238 -0.143 -3.954 -15.795 1.00 53.00 H new ATOM 0 HG22 ILE B 238 0.782 -5.283 -16.534 1.00 53.00 H new ATOM 0 HG23 ILE B 238 1.184 -4.724 -14.893 1.00 53.00 H new ATOM 0 HD11 ILE B 238 0.651 -0.511 -14.938 1.00 3.03 H new ATOM 0 HD12 ILE B 238 0.278 -1.092 -16.578 1.00 3.03 H new ATOM 0 HD13 ILE B 238 -0.219 -2.047 -15.161 1.00 3.03 H new ATOM 1674 N PHE B 239 3.471 -6.376 -17.131 1.00 32.21 N ATOM 1675 CA PHE B 239 3.322 -7.588 -17.933 1.00 34.33 C ATOM 1676 C PHE B 239 2.078 -8.300 -17.507 1.00 20.03 C ATOM 1677 O PHE B 239 1.944 -8.662 -16.332 1.00 32.02 O ATOM 1678 CB PHE B 239 4.489 -8.577 -17.736 1.00 14.15 C ATOM 1679 CG PHE B 239 5.828 -8.163 -18.258 1.00 44.20 C ATOM 1680 CD1 PHE B 239 6.563 -7.157 -17.656 1.00 23.20 C ATOM 1681 CD2 PHE B 239 6.355 -8.805 -19.366 1.00 40.14 C ATOM 1682 CE1 PHE B 239 7.802 -6.800 -18.153 1.00 13.33 C ATOM 1683 CE2 PHE B 239 7.586 -8.460 -19.866 1.00 73.03 C ATOM 1684 CZ PHE B 239 8.316 -7.455 -19.261 1.00 55.10 C ATOM 0 H PHE B 239 3.861 -6.538 -16.203 1.00 32.21 H new ATOM 0 HA PHE B 239 3.293 -7.276 -18.977 1.00 34.33 H new ATOM 0 HB2 PHE B 239 4.588 -8.775 -16.669 1.00 14.15 H new ATOM 0 HB3 PHE B 239 4.217 -9.520 -18.211 1.00 14.15 H new ATOM 0 HD1 PHE B 239 6.165 -6.647 -16.791 1.00 23.20 H new ATOM 0 HD2 PHE B 239 5.788 -9.590 -19.845 1.00 40.14 H new ATOM 0 HE1 PHE B 239 8.369 -6.012 -17.679 1.00 13.33 H new ATOM 0 HE2 PHE B 239 7.983 -8.973 -20.730 1.00 73.03 H new ATOM 0 HZ PHE B 239 9.285 -7.180 -19.651 1.00 55.10 H new ATOM 1694 N ILE B 240 1.172 -8.505 -18.411 1.00 40.21 N ATOM 1695 CA ILE B 240 -0.001 -9.270 -18.082 1.00 51.10 C ATOM 1696 C ILE B 240 0.252 -10.665 -18.552 1.00 73.21 C ATOM 1697 O ILE B 240 0.455 -10.876 -19.749 1.00 11.54 O ATOM 1698 CB ILE B 240 -1.270 -8.769 -18.801 1.00 3.20 C ATOM 1699 CG1 ILE B 240 -1.347 -7.253 -18.754 1.00 4.12 C ATOM 1700 CG2 ILE B 240 -2.513 -9.396 -18.165 1.00 41.24 C ATOM 1701 CD1 ILE B 240 -2.647 -6.689 -19.249 1.00 10.43 C ATOM 0 H ILE B 240 1.215 -8.161 -19.370 1.00 40.21 H new ATOM 0 HA ILE B 240 -0.173 -9.188 -17.009 1.00 51.10 H new ATOM 0 HB ILE B 240 -1.224 -9.071 -19.847 1.00 3.20 H new ATOM 0 HG12 ILE B 240 -1.188 -6.924 -17.727 1.00 4.12 H new ATOM 0 HG13 ILE B 240 -0.534 -6.840 -19.351 1.00 4.12 H new ATOM 0 HG21 ILE B 240 -3.405 -9.037 -18.679 1.00 41.24 H new ATOM 0 HG22 ILE B 240 -2.457 -10.481 -18.250 1.00 41.24 H new ATOM 0 HG23 ILE B 240 -2.563 -9.117 -17.113 1.00 41.24 H new ATOM 0 HD11 ILE B 240 -2.621 -5.601 -19.182 1.00 10.43 H new ATOM 0 HD12 ILE B 240 -2.801 -6.985 -20.287 1.00 10.43 H new ATOM 0 HD13 ILE B 240 -3.465 -7.070 -18.638 1.00 10.43 H new ATOM 1713 N THR B 241 0.267 -11.610 -17.660 1.00 61.04 N ATOM 1714 CA THR B 241 0.493 -12.945 -18.069 1.00 43.30 C ATOM 1715 C THR B 241 -0.742 -13.767 -17.801 1.00 41.24 C ATOM 1716 O THR B 241 -1.671 -13.288 -17.167 1.00 2.55 O ATOM 1717 CB THR B 241 1.733 -13.594 -17.396 1.00 4.21 C ATOM 1718 OG1 THR B 241 1.511 -13.765 -15.978 1.00 65.35 O ATOM 1719 CG2 THR B 241 2.975 -12.730 -17.591 1.00 61.24 C ATOM 0 H THR B 241 0.126 -11.475 -16.659 1.00 61.04 H new ATOM 0 HA THR B 241 0.707 -12.922 -19.137 1.00 43.30 H new ATOM 0 HB THR B 241 1.888 -14.565 -17.867 1.00 4.21 H new ATOM 0 HG1 THR B 241 1.254 -12.906 -15.581 1.00 65.35 H new ATOM 0 HG21 THR B 241 3.829 -13.207 -17.110 1.00 61.24 H new ATOM 0 HG22 THR B 241 3.175 -12.616 -18.656 1.00 61.24 H new ATOM 0 HG23 THR B 241 2.809 -11.749 -17.146 1.00 61.24 H new ATOM 1727 N LYS B 242 -0.749 -14.998 -18.258 1.00 64.20 N ATOM 1728 CA LYS B 242 -1.909 -15.869 -18.068 1.00 31.32 C ATOM 1729 C LYS B 242 -1.980 -16.500 -16.666 1.00 70.40 C ATOM 1730 O LYS B 242 -2.779 -17.404 -16.408 1.00 61.33 O ATOM 1731 CB LYS B 242 -2.079 -16.880 -19.231 1.00 72.20 C ATOM 1732 CG LYS B 242 -0.838 -17.681 -19.641 1.00 21.22 C ATOM 1733 CD LYS B 242 -0.313 -18.573 -18.542 1.00 23.22 C ATOM 1734 CE LYS B 242 0.851 -19.408 -19.041 1.00 25.14 C ATOM 1735 NZ LYS B 242 1.390 -20.297 -17.996 1.00 12.22 N ATOM 0 H LYS B 242 0.027 -15.427 -18.763 1.00 64.20 H new ATOM 0 HA LYS B 242 -2.788 -15.225 -18.111 1.00 31.32 H new ATOM 0 HB2 LYS B 242 -2.862 -17.586 -18.955 1.00 72.20 H new ATOM 0 HB3 LYS B 242 -2.435 -16.335 -20.105 1.00 72.20 H new ATOM 0 HG2 LYS B 242 -1.079 -18.292 -20.511 1.00 21.22 H new ATOM 0 HG3 LYS B 242 -0.052 -16.990 -19.945 1.00 21.22 H new ATOM 0 HD2 LYS B 242 0.005 -17.966 -17.695 1.00 23.22 H new ATOM 0 HD3 LYS B 242 -1.109 -19.226 -18.185 1.00 23.22 H new ATOM 0 HE2 LYS B 242 0.527 -20.006 -19.893 1.00 25.14 H new ATOM 0 HE3 LYS B 242 1.642 -18.748 -19.397 1.00 25.14 H new ATOM 0 HZ1 LYS B 242 2.183 -20.847 -18.383 1.00 12.22 H new ATOM 0 HZ2 LYS B 242 1.724 -19.726 -17.193 1.00 12.22 H new ATOM 0 HZ3 LYS B 242 0.644 -20.946 -17.673 1.00 12.22 H new ATOM 1749 N ARG B 243 -1.152 -16.007 -15.783 1.00 12.13 N ATOM 1750 CA ARG B 243 -1.196 -16.382 -14.394 1.00 22.14 C ATOM 1751 C ARG B 243 -1.457 -15.163 -13.554 1.00 4.24 C ATOM 1752 O ARG B 243 -2.388 -15.125 -12.774 1.00 21.31 O ATOM 1753 CB ARG B 243 0.089 -17.059 -13.928 1.00 33.12 C ATOM 1754 CG ARG B 243 0.323 -18.443 -14.472 1.00 62.34 C ATOM 1755 CD ARG B 243 1.618 -19.010 -13.923 1.00 4.21 C ATOM 1756 NE ARG B 243 1.820 -20.406 -14.305 1.00 32.01 N ATOM 1757 CZ ARG B 243 3.011 -21.006 -14.415 1.00 13.25 C ATOM 1758 NH1 ARG B 243 4.132 -20.290 -14.331 1.00 3.22 N ATOM 1759 NH2 ARG B 243 3.073 -22.312 -14.633 1.00 42.25 N ATOM 0 H ARG B 243 -0.423 -15.330 -16.009 1.00 12.13 H new ATOM 0 HA ARG B 243 -2.003 -17.106 -14.278 1.00 22.14 H new ATOM 0 HB2 ARG B 243 0.934 -16.429 -14.208 1.00 33.12 H new ATOM 0 HB3 ARG B 243 0.078 -17.112 -12.839 1.00 33.12 H new ATOM 0 HG2 ARG B 243 -0.510 -19.093 -14.203 1.00 62.34 H new ATOM 0 HG3 ARG B 243 0.364 -18.411 -15.561 1.00 62.34 H new ATOM 0 HD2 ARG B 243 2.455 -18.412 -14.284 1.00 4.21 H new ATOM 0 HD3 ARG B 243 1.615 -18.930 -12.836 1.00 4.21 H new ATOM 0 HE ARG B 243 0.990 -20.965 -14.503 1.00 32.01 H new ATOM 0 HH11 ARG B 243 4.083 -19.282 -14.182 1.00 3.22 H new ATOM 0 HH12 ARG B 243 5.038 -20.750 -14.415 1.00 3.22 H new ATOM 0 HH21 ARG B 243 2.215 -22.856 -14.716 1.00 42.25 H new ATOM 0 HH22 ARG B 243 3.979 -22.773 -14.717 1.00 42.25 H new ATOM 1773 N GLY B 244 -0.646 -14.156 -13.741 1.00 24.41 N ATOM 1774 CA GLY B 244 -0.771 -12.966 -12.957 1.00 31.04 C ATOM 1775 C GLY B 244 -0.136 -11.800 -13.633 1.00 25.04 C ATOM 1776 O GLY B 244 0.121 -11.844 -14.836 1.00 3.31 O ATOM 0 H GLY B 244 0.106 -14.140 -14.430 1.00 24.41 H new ATOM 0 HA2 GLY B 244 -1.825 -12.755 -12.779 1.00 31.04 H new ATOM 0 HA3 GLY B 244 -0.308 -13.120 -11.983 1.00 31.04 H new ATOM 1780 N LEU B 245 0.151 -10.770 -12.890 1.00 63.51 N ATOM 1781 CA LEU B 245 0.718 -9.588 -13.492 1.00 62.01 C ATOM 1782 C LEU B 245 2.065 -9.235 -12.900 1.00 72.34 C ATOM 1783 O LEU B 245 2.342 -9.521 -11.726 1.00 43.23 O ATOM 1784 CB LEU B 245 -0.234 -8.364 -13.438 1.00 15.23 C ATOM 1785 CG LEU B 245 -1.529 -8.412 -14.285 1.00 52.42 C ATOM 1786 CD1 LEU B 245 -2.551 -9.399 -13.733 1.00 53.21 C ATOM 1787 CD2 LEU B 245 -2.130 -7.023 -14.434 1.00 2.23 C ATOM 0 H LEU B 245 0.006 -10.719 -11.882 1.00 63.51 H new ATOM 0 HA LEU B 245 0.863 -9.841 -14.542 1.00 62.01 H new ATOM 0 HB2 LEU B 245 -0.521 -8.210 -12.398 1.00 15.23 H new ATOM 0 HB3 LEU B 245 0.334 -7.486 -13.745 1.00 15.23 H new ATOM 0 HG LEU B 245 -1.249 -8.774 -15.274 1.00 52.42 H new ATOM 0 HD11 LEU B 245 -3.440 -9.393 -14.364 1.00 53.21 H new ATOM 0 HD12 LEU B 245 -2.120 -10.400 -13.722 1.00 53.21 H new ATOM 0 HD13 LEU B 245 -2.825 -9.110 -12.718 1.00 53.21 H new ATOM 0 HD21 LEU B 245 -3.039 -7.082 -15.033 1.00 2.23 H new ATOM 0 HD22 LEU B 245 -2.370 -6.623 -13.449 1.00 2.23 H new ATOM 0 HD23 LEU B 245 -1.413 -6.367 -14.927 1.00 2.23 H new ATOM 1799 N LYS B 246 2.903 -8.644 -13.714 1.00 44.44 N ATOM 1800 CA LYS B 246 4.192 -8.168 -13.286 1.00 10.03 C ATOM 1801 C LYS B 246 4.173 -6.677 -13.420 1.00 34.30 C ATOM 1802 O LYS B 246 3.695 -6.163 -14.418 1.00 35.30 O ATOM 1803 CB LYS B 246 5.308 -8.675 -14.191 1.00 54.41 C ATOM 1804 CG LYS B 246 6.704 -8.376 -13.656 1.00 61.13 C ATOM 1805 CD LYS B 246 7.807 -8.609 -14.692 1.00 44.22 C ATOM 1806 CE LYS B 246 7.795 -10.009 -15.290 1.00 1.12 C ATOM 1807 NZ LYS B 246 7.854 -11.078 -14.265 1.00 72.31 N ATOM 0 H LYS B 246 2.707 -8.479 -14.701 1.00 44.44 H new ATOM 0 HA LYS B 246 4.374 -8.513 -12.268 1.00 10.03 H new ATOM 0 HB2 LYS B 246 5.200 -9.752 -14.321 1.00 54.41 H new ATOM 0 HB3 LYS B 246 5.200 -8.223 -15.177 1.00 54.41 H new ATOM 0 HG2 LYS B 246 6.743 -7.340 -13.319 1.00 61.13 H new ATOM 0 HG3 LYS B 246 6.894 -9.002 -12.784 1.00 61.13 H new ATOM 0 HD2 LYS B 246 7.700 -7.879 -15.495 1.00 44.22 H new ATOM 0 HD3 LYS B 246 8.776 -8.430 -14.225 1.00 44.22 H new ATOM 0 HE2 LYS B 246 6.892 -10.135 -15.887 1.00 1.12 H new ATOM 0 HE3 LYS B 246 8.642 -10.116 -15.967 1.00 1.12 H new ATOM 0 HZ1 LYS B 246 8.064 -11.988 -14.724 1.00 72.31 H new ATOM 0 HZ2 LYS B 246 8.601 -10.857 -13.576 1.00 72.31 H new ATOM 0 HZ3 LYS B 246 6.939 -11.140 -13.775 1.00 72.31 H new ATOM 1821 N VAL B 247 4.675 -5.998 -12.463 1.00 52.13 N ATOM 1822 CA VAL B 247 4.736 -4.576 -12.525 1.00 72.24 C ATOM 1823 C VAL B 247 6.129 -4.122 -12.121 1.00 31.14 C ATOM 1824 O VAL B 247 6.683 -4.571 -11.106 1.00 23.13 O ATOM 1825 CB VAL B 247 3.626 -3.913 -11.660 1.00 12.43 C ATOM 1826 CG1 VAL B 247 3.747 -4.297 -10.194 1.00 60.43 C ATOM 1827 CG2 VAL B 247 3.618 -2.406 -11.845 1.00 55.43 C ATOM 0 H VAL B 247 5.058 -6.404 -11.610 1.00 52.13 H new ATOM 0 HA VAL B 247 4.547 -4.253 -13.549 1.00 72.24 H new ATOM 0 HB VAL B 247 2.667 -4.295 -12.009 1.00 12.43 H new ATOM 0 HG11 VAL B 247 2.953 -3.813 -9.624 1.00 60.43 H new ATOM 0 HG12 VAL B 247 3.659 -5.379 -10.093 1.00 60.43 H new ATOM 0 HG13 VAL B 247 4.716 -3.975 -9.812 1.00 60.43 H new ATOM 0 HG21 VAL B 247 2.833 -1.968 -11.229 1.00 55.43 H new ATOM 0 HG22 VAL B 247 4.584 -1.998 -11.546 1.00 55.43 H new ATOM 0 HG23 VAL B 247 3.432 -2.169 -12.893 1.00 55.43 H new ATOM 1837 N CYS B 248 6.724 -3.303 -12.924 1.00 40.33 N ATOM 1838 CA CYS B 248 8.038 -2.845 -12.642 1.00 43.22 C ATOM 1839 C CYS B 248 8.126 -1.364 -12.805 1.00 60.15 C ATOM 1840 O CYS B 248 8.176 -0.868 -13.927 1.00 11.32 O ATOM 1841 CB CYS B 248 9.030 -3.499 -13.584 1.00 10.11 C ATOM 1842 SG CYS B 248 10.771 -3.161 -13.164 1.00 3.14 S ATOM 0 H CYS B 248 6.316 -2.937 -13.784 1.00 40.33 H new ATOM 0 HA CYS B 248 8.274 -3.109 -11.611 1.00 43.22 H new ATOM 0 HB2 CYS B 248 8.867 -4.577 -13.578 1.00 10.11 H new ATOM 0 HB3 CYS B 248 8.836 -3.152 -14.599 1.00 10.11 H new ATOM 1847 N CYS B 249 8.098 -0.648 -11.723 1.00 1.20 N ATOM 1848 CA CYS B 249 8.285 0.770 -11.808 1.00 1.30 C ATOM 1849 C CYS B 249 9.766 1.115 -11.600 1.00 54.33 C ATOM 1850 O CYS B 249 10.424 0.594 -10.700 1.00 33.52 O ATOM 1851 CB CYS B 249 7.374 1.546 -10.845 1.00 53.13 C ATOM 1852 SG CYS B 249 5.546 1.502 -11.168 1.00 33.42 S ATOM 0 H CYS B 249 7.950 -1.014 -10.783 1.00 1.20 H new ATOM 0 HA CYS B 249 7.991 1.086 -12.809 1.00 1.30 H new ATOM 0 HB2 CYS B 249 7.547 1.165 -9.839 1.00 53.13 H new ATOM 0 HB3 CYS B 249 7.691 2.589 -10.850 1.00 53.13 H new ATOM 1857 N ASP B 250 10.259 1.971 -12.451 1.00 3.31 N ATOM 1858 CA ASP B 250 11.636 2.396 -12.495 1.00 74.41 C ATOM 1859 C ASP B 250 11.710 3.914 -12.542 1.00 71.11 C ATOM 1860 O ASP B 250 11.270 4.529 -13.489 1.00 1.11 O ATOM 1861 CB ASP B 250 12.320 1.811 -13.742 1.00 32.44 C ATOM 1862 CG ASP B 250 13.754 2.283 -13.932 1.00 74.14 C ATOM 1863 OD1 ASP B 250 14.674 1.735 -13.303 1.00 1.24 O ATOM 1864 OD2 ASP B 250 13.973 3.189 -14.730 1.00 31.41 O ATOM 0 H ASP B 250 9.686 2.414 -13.169 1.00 3.31 H new ATOM 0 HA ASP B 250 12.145 2.039 -11.600 1.00 74.41 H new ATOM 0 HB2 ASP B 250 12.311 0.723 -13.674 1.00 32.44 H new ATOM 0 HB3 ASP B 250 11.739 2.080 -14.624 1.00 32.44 H new ATOM 1869 N PRO B 251 12.260 4.534 -11.511 1.00 14.41 N ATOM 1870 CA PRO B 251 12.408 5.995 -11.430 1.00 12.12 C ATOM 1871 C PRO B 251 13.657 6.482 -12.176 1.00 73.21 C ATOM 1872 O PRO B 251 14.115 7.625 -11.970 1.00 21.21 O ATOM 1873 CB PRO B 251 12.567 6.221 -9.931 1.00 61.41 C ATOM 1874 CG PRO B 251 13.284 5.004 -9.469 1.00 73.41 C ATOM 1875 CD PRO B 251 12.784 3.870 -10.329 1.00 11.32 C ATOM 0 HA PRO B 251 11.574 6.533 -11.881 1.00 12.12 H new ATOM 0 HB2 PRO B 251 13.136 7.126 -9.720 1.00 61.41 H new ATOM 0 HB3 PRO B 251 11.601 6.329 -9.437 1.00 61.41 H new ATOM 0 HG2 PRO B 251 14.362 5.125 -9.572 1.00 73.41 H new ATOM 0 HG3 PRO B 251 13.084 4.811 -8.415 1.00 73.41 H new ATOM 0 HD2 PRO B 251 13.586 3.177 -10.582 1.00 11.32 H new ATOM 0 HD3 PRO B 251 12.012 3.292 -9.820 1.00 11.32 H new