USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 559 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 42 SER OG : rot 118:sc= 0.982 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -1.13 K(o=-0.15,f=-11!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -156:sc= 0.106 (180deg=0.0107) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 15 SER OG : rot -53:sc= 0.153 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= 1.28 (180deg=-0.241) USER MOD Single : A 22 MET CE :methyl -136:sc= -1.07 (180deg=-1.26) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 1.08 (180deg=0.969) USER MOD Single : A 28 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-5.5!) USER MOD Single : A 29 CYS SG : rot 153:sc= -3.65! USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0464 (180deg=-0.197) USER MOD Single : A 33 MET CE :methyl 143:sc= -2.09 (180deg=-4.8!) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.321 USER MOD Single : A 38 THR OG1 : rot -96:sc= 0.703 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 26:sc= 0.0107 USER MOD Single : A 52 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-5.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0.189 (180deg=0.189) USER MOD Single : A 56 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 179:sc= 0.292 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0238) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.0419 (180deg=-0.307) USER MOD Single : A 65 TYR OH : rot 29:sc= 1.24 USER MOD Single : A 66 ASN : amide:sc= 1.09 K(o=1.1,f=-0.085) USER MOD Single : A 69 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0082) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.449 6.007 5.861 1.00 3.11 N ATOM 177 CA ILE A 12 0.164 6.217 5.230 1.00 72.41 C ATOM 178 C ILE A 12 -0.922 5.680 6.132 1.00 74.42 C ATOM 179 O ILE A 12 -0.687 4.729 6.898 1.00 13.12 O ATOM 180 CB ILE A 12 0.067 5.440 3.894 1.00 63.43 C ATOM 181 CG1 ILE A 12 1.355 5.547 3.106 1.00 55.12 C ATOM 182 CG2 ILE A 12 -1.085 5.992 3.044 1.00 74.04 C ATOM 183 CD1 ILE A 12 1.344 4.721 1.858 1.00 12.51 C ATOM 0 HA ILE A 12 0.050 7.286 5.048 1.00 72.41 H new ATOM 0 HB ILE A 12 -0.116 4.392 4.132 1.00 63.43 H new ATOM 0 HG12 ILE A 12 1.529 6.591 2.844 1.00 55.12 H new ATOM 0 HG13 ILE A 12 2.188 5.234 3.736 1.00 55.12 H new ATOM 0 HG21 ILE A 12 -1.144 5.438 2.107 1.00 74.04 H new ATOM 0 HG22 ILE A 12 -2.023 5.884 3.589 1.00 74.04 H new ATOM 0 HG23 ILE A 12 -0.908 7.046 2.832 1.00 74.04 H new ATOM 0 HD11 ILE A 12 2.293 4.838 1.336 1.00 12.51 H new ATOM 0 HD12 ILE A 12 1.200 3.672 2.117 1.00 12.51 H new ATOM 0 HD13 ILE A 12 0.531 5.050 1.211 1.00 12.51 H new ATOM 195 N ARG A 13 -2.056 6.302 6.106 1.00 54.43 N ATOM 196 CA ARG A 13 -3.210 5.785 6.769 1.00 52.44 C ATOM 197 C ARG A 13 -4.068 5.079 5.743 1.00 71.10 C ATOM 198 O ARG A 13 -3.924 5.317 4.550 1.00 24.24 O ATOM 199 CB ARG A 13 -4.025 6.877 7.417 1.00 74.13 C ATOM 200 CG ARG A 13 -3.346 7.635 8.533 1.00 24.04 C ATOM 201 CD ARG A 13 -4.315 8.632 9.133 1.00 11.50 C ATOM 202 NE ARG A 13 -3.756 9.346 10.272 1.00 70.13 N ATOM 203 CZ ARG A 13 -4.479 10.021 11.166 1.00 1.31 C ATOM 204 NH1 ARG A 13 -5.808 10.093 11.043 1.00 11.32 N ATOM 205 NH2 ARG A 13 -3.877 10.616 12.186 1.00 22.02 N ATOM 0 H ARG A 13 -2.209 7.187 5.622 1.00 54.43 H new ATOM 0 HA ARG A 13 -2.881 5.104 7.554 1.00 52.44 H new ATOM 0 HB2 ARG A 13 -4.319 7.590 6.647 1.00 74.13 H new ATOM 0 HB3 ARG A 13 -4.941 6.436 7.809 1.00 74.13 H new ATOM 0 HG2 ARG A 13 -3.001 6.941 9.300 1.00 24.04 H new ATOM 0 HG3 ARG A 13 -2.466 8.152 8.152 1.00 24.04 H new ATOM 0 HD2 ARG A 13 -4.610 9.351 8.368 1.00 11.50 H new ATOM 0 HD3 ARG A 13 -5.219 8.110 9.445 1.00 11.50 H new ATOM 0 HE ARG A 13 -2.743 9.329 10.394 1.00 70.13 H new ATOM 0 HH11 ARG A 13 -6.274 9.630 10.262 1.00 11.32 H new ATOM 0 HH12 ARG A 13 -6.356 10.611 11.730 1.00 11.32 H new ATOM 0 HH21 ARG A 13 -2.864 10.557 12.285 1.00 22.02 H new ATOM 0 HH22 ARG A 13 -4.427 11.133 12.872 1.00 22.02 H new ATOM 219 N TYR A 14 -4.980 4.262 6.198 1.00 62.43 N ATOM 220 CA TYR A 14 -5.831 3.481 5.308 1.00 22.51 C ATOM 221 C TYR A 14 -6.810 4.388 4.589 1.00 4.42 C ATOM 222 O TYR A 14 -7.220 4.118 3.463 1.00 10.34 O ATOM 223 CB TYR A 14 -6.586 2.426 6.111 1.00 65.33 C ATOM 224 CG TYR A 14 -5.672 1.544 6.922 1.00 32.51 C ATOM 225 CD1 TYR A 14 -5.038 0.465 6.349 1.00 33.13 C ATOM 226 CD2 TYR A 14 -5.437 1.801 8.268 1.00 60.42 C ATOM 227 CE1 TYR A 14 -4.198 -0.328 7.074 1.00 42.32 C ATOM 228 CE2 TYR A 14 -4.593 1.004 9.006 1.00 53.21 C ATOM 229 CZ TYR A 14 -3.974 -0.058 8.404 1.00 62.24 C ATOM 230 OH TYR A 14 -3.119 -0.856 9.130 1.00 63.34 O ATOM 0 H TYR A 14 -5.162 4.112 7.190 1.00 62.43 H new ATOM 0 HA TYR A 14 -5.206 2.985 4.565 1.00 22.51 H new ATOM 0 HB2 TYR A 14 -7.292 2.920 6.778 1.00 65.33 H new ATOM 0 HB3 TYR A 14 -7.170 1.807 5.430 1.00 65.33 H new ATOM 0 HD1 TYR A 14 -5.209 0.242 5.306 1.00 33.13 H new ATOM 0 HD2 TYR A 14 -5.925 2.640 8.742 1.00 60.42 H new ATOM 0 HE1 TYR A 14 -3.709 -1.168 6.604 1.00 42.32 H new ATOM 0 HE2 TYR A 14 -4.420 1.214 10.051 1.00 53.21 H new ATOM 0 HH TYR A 14 -3.070 -0.529 10.053 1.00 63.34 H new ATOM 240 N SER A 15 -7.143 5.481 5.239 1.00 72.42 N ATOM 241 CA SER A 15 -8.079 6.450 4.720 1.00 50.22 C ATOM 242 C SER A 15 -7.529 7.180 3.494 1.00 51.44 C ATOM 243 O SER A 15 -8.299 7.687 2.684 1.00 61.54 O ATOM 244 CB SER A 15 -8.413 7.469 5.795 1.00 35.12 C ATOM 245 OG SER A 15 -8.921 6.849 6.981 1.00 35.31 O ATOM 0 H SER A 15 -6.766 5.724 6.155 1.00 72.42 H new ATOM 0 HA SER A 15 -8.975 5.907 4.418 1.00 50.22 H new ATOM 0 HB2 SER A 15 -7.520 8.044 6.040 1.00 35.12 H new ATOM 0 HB3 SER A 15 -9.150 8.174 5.410 1.00 35.12 H new ATOM 0 HG SER A 15 -9.671 6.262 6.748 1.00 35.31 H new ATOM 251 N ASP A 16 -6.214 7.227 3.349 1.00 73.14 N ATOM 252 CA ASP A 16 -5.626 7.961 2.231 1.00 45.52 C ATOM 253 C ASP A 16 -5.584 7.080 1.016 1.00 55.14 C ATOM 254 O ASP A 16 -5.744 7.545 -0.113 1.00 53.41 O ATOM 255 CB ASP A 16 -4.193 8.441 2.549 1.00 53.13 C ATOM 256 CG ASP A 16 -3.637 9.392 1.470 1.00 55.13 C ATOM 257 OD1 ASP A 16 -3.227 8.938 0.400 1.00 75.11 O ATOM 258 OD2 ASP A 16 -3.622 10.630 1.702 1.00 60.13 O ATOM 0 H ASP A 16 -5.544 6.778 3.973 1.00 73.14 H new ATOM 0 HA ASP A 16 -6.249 8.837 2.049 1.00 45.52 H new ATOM 0 HB2 ASP A 16 -4.189 8.949 3.514 1.00 53.13 H new ATOM 0 HB3 ASP A 16 -3.535 7.577 2.641 1.00 53.13 H new ATOM 263 N VAL A 17 -5.470 5.796 1.258 1.00 42.44 N ATOM 264 CA VAL A 17 -5.202 4.849 0.189 1.00 13.34 C ATOM 265 C VAL A 17 -6.380 4.724 -0.761 1.00 60.30 C ATOM 266 O VAL A 17 -7.510 4.399 -0.357 1.00 64.12 O ATOM 267 CB VAL A 17 -4.828 3.445 0.724 1.00 72.51 C ATOM 268 CG1 VAL A 17 -4.389 2.528 -0.400 1.00 64.14 C ATOM 269 CG2 VAL A 17 -3.781 3.516 1.816 1.00 72.32 C ATOM 0 H VAL A 17 -5.558 5.378 2.184 1.00 42.44 H new ATOM 0 HA VAL A 17 -4.346 5.251 -0.354 1.00 13.34 H new ATOM 0 HB VAL A 17 -5.728 3.021 1.170 1.00 72.51 H new ATOM 0 HG11 VAL A 17 -4.133 1.550 0.007 1.00 64.14 H new ATOM 0 HG12 VAL A 17 -5.201 2.420 -1.120 1.00 64.14 H new ATOM 0 HG13 VAL A 17 -3.517 2.953 -0.897 1.00 64.14 H new ATOM 0 HG21 VAL A 17 -3.548 2.509 2.163 1.00 72.32 H new ATOM 0 HG22 VAL A 17 -2.877 3.983 1.424 1.00 72.32 H new ATOM 0 HG23 VAL A 17 -4.163 4.107 2.648 1.00 72.32 H new ATOM 279 N LYS A 18 -6.122 4.986 -2.014 1.00 61.12 N ATOM 280 CA LYS A 18 -7.126 4.852 -3.045 1.00 72.40 C ATOM 281 C LYS A 18 -7.107 3.475 -3.639 1.00 31.43 C ATOM 282 O LYS A 18 -8.139 2.925 -3.985 1.00 62.11 O ATOM 283 CB LYS A 18 -6.923 5.874 -4.154 1.00 33.34 C ATOM 284 CG LYS A 18 -7.111 7.323 -3.734 1.00 64.52 C ATOM 285 CD LYS A 18 -8.478 7.564 -3.091 1.00 74.32 C ATOM 286 CE LYS A 18 -9.641 7.246 -4.023 1.00 5.23 C ATOM 287 NZ LYS A 18 -10.943 7.439 -3.341 1.00 13.30 N ATOM 0 H LYS A 18 -5.212 5.298 -2.353 1.00 61.12 H new ATOM 0 HA LYS A 18 -8.092 5.029 -2.572 1.00 72.40 H new ATOM 0 HB2 LYS A 18 -5.917 5.756 -4.557 1.00 33.34 H new ATOM 0 HB3 LYS A 18 -7.619 5.653 -4.963 1.00 33.34 H new ATOM 0 HG2 LYS A 18 -6.326 7.601 -3.030 1.00 64.52 H new ATOM 0 HG3 LYS A 18 -7.002 7.969 -4.605 1.00 64.52 H new ATOM 0 HD2 LYS A 18 -8.563 6.953 -2.192 1.00 74.32 H new ATOM 0 HD3 LYS A 18 -8.546 8.605 -2.776 1.00 74.32 H new ATOM 0 HE2 LYS A 18 -9.590 7.886 -4.904 1.00 5.23 H new ATOM 0 HE3 LYS A 18 -9.560 6.217 -4.372 1.00 5.23 H new ATOM 0 HZ1 LYS A 18 -11.716 7.215 -3.999 1.00 13.30 H new ATOM 0 HZ2 LYS A 18 -10.999 6.810 -2.515 1.00 13.30 H new ATOM 0 HZ3 LYS A 18 -11.029 8.428 -3.030 1.00 13.30 H new ATOM 301 N LYS A 19 -5.938 2.918 -3.721 1.00 10.11 N ATOM 302 CA LYS A 19 -5.721 1.623 -4.343 1.00 15.15 C ATOM 303 C LYS A 19 -4.510 0.986 -3.749 1.00 75.03 C ATOM 304 O LYS A 19 -3.580 1.676 -3.312 1.00 15.01 O ATOM 305 CB LYS A 19 -5.476 1.716 -5.861 1.00 52.12 C ATOM 306 CG LYS A 19 -6.586 2.317 -6.711 1.00 3.22 C ATOM 307 CD LYS A 19 -6.197 2.289 -8.186 1.00 15.50 C ATOM 308 CE LYS A 19 -6.084 0.856 -8.708 1.00 52.25 C ATOM 309 NZ LYS A 19 -5.542 0.790 -10.077 1.00 33.12 N ATOM 0 H LYS A 19 -5.087 3.347 -3.356 1.00 10.11 H new ATOM 0 HA LYS A 19 -6.628 1.044 -4.167 1.00 15.15 H new ATOM 0 HB2 LYS A 19 -4.572 2.304 -6.022 1.00 52.12 H new ATOM 0 HB3 LYS A 19 -5.273 0.711 -6.232 1.00 52.12 H new ATOM 0 HG2 LYS A 19 -7.511 1.760 -6.561 1.00 3.22 H new ATOM 0 HG3 LYS A 19 -6.778 3.343 -6.398 1.00 3.22 H new ATOM 0 HD2 LYS A 19 -6.940 2.833 -8.770 1.00 15.50 H new ATOM 0 HD3 LYS A 19 -5.246 2.803 -8.322 1.00 15.50 H new ATOM 0 HE2 LYS A 19 -5.444 0.280 -8.040 1.00 52.25 H new ATOM 0 HE3 LYS A 19 -7.068 0.388 -8.688 1.00 52.25 H new ATOM 0 HZ1 LYS A 19 -6.138 0.165 -10.657 1.00 33.12 H new ATOM 0 HZ2 LYS A 19 -5.532 1.743 -10.493 1.00 33.12 H new ATOM 0 HZ3 LYS A 19 -4.572 0.415 -10.049 1.00 33.12 H new ATOM 323 N LEU A 20 -4.509 -0.301 -3.751 1.00 41.11 N ATOM 324 CA LEU A 20 -3.421 -1.085 -3.271 1.00 44.22 C ATOM 325 C LEU A 20 -3.232 -2.158 -4.313 1.00 31.50 C ATOM 326 O LEU A 20 -4.171 -2.893 -4.597 1.00 41.23 O ATOM 327 CB LEU A 20 -3.847 -1.683 -1.901 1.00 42.14 C ATOM 328 CG LEU A 20 -2.822 -2.471 -1.049 1.00 25.15 C ATOM 329 CD1 LEU A 20 -3.444 -2.781 0.300 1.00 13.42 C ATOM 330 CD2 LEU A 20 -2.394 -3.777 -1.713 1.00 23.15 C ATOM 0 H LEU A 20 -5.291 -0.857 -4.098 1.00 41.11 H new ATOM 0 HA LEU A 20 -2.494 -0.531 -3.122 1.00 44.22 H new ATOM 0 HB2 LEU A 20 -4.214 -0.860 -1.288 1.00 42.14 H new ATOM 0 HB3 LEU A 20 -4.693 -2.345 -2.085 1.00 42.14 H new ATOM 0 HG LEU A 20 -1.932 -1.851 -0.941 1.00 25.15 H new ATOM 0 HD11 LEU A 20 -2.732 -3.336 0.910 1.00 13.42 H new ATOM 0 HD12 LEU A 20 -3.704 -1.850 0.803 1.00 13.42 H new ATOM 0 HD13 LEU A 20 -4.343 -3.380 0.157 1.00 13.42 H new ATOM 0 HD21 LEU A 20 -1.675 -4.291 -1.075 1.00 23.15 H new ATOM 0 HD22 LEU A 20 -3.267 -4.413 -1.862 1.00 23.15 H new ATOM 0 HD23 LEU A 20 -1.934 -3.561 -2.677 1.00 23.15 H new ATOM 342 N GLU A 21 -2.069 -2.243 -4.902 1.00 31.35 N ATOM 343 CA GLU A 21 -1.852 -3.228 -5.942 1.00 74.42 C ATOM 344 C GLU A 21 -0.593 -3.999 -5.705 1.00 52.43 C ATOM 345 O GLU A 21 0.442 -3.416 -5.379 1.00 12.54 O ATOM 346 CB GLU A 21 -1.776 -2.568 -7.316 1.00 55.22 C ATOM 347 CG GLU A 21 -3.055 -1.923 -7.808 1.00 22.24 C ATOM 348 CD GLU A 21 -2.862 -1.283 -9.158 1.00 40.10 C ATOM 349 OE1 GLU A 21 -2.426 -1.984 -10.101 1.00 32.43 O ATOM 350 OE2 GLU A 21 -3.096 -0.068 -9.298 1.00 42.41 O ATOM 0 H GLU A 21 -1.264 -1.654 -4.688 1.00 31.35 H new ATOM 0 HA GLU A 21 -2.701 -3.911 -5.915 1.00 74.42 H new ATOM 0 HB2 GLU A 21 -0.994 -1.809 -7.291 1.00 55.22 H new ATOM 0 HB3 GLU A 21 -1.467 -3.319 -8.043 1.00 55.22 H new ATOM 0 HG2 GLU A 21 -3.843 -2.673 -7.868 1.00 22.24 H new ATOM 0 HG3 GLU A 21 -3.385 -1.171 -7.091 1.00 22.24 H new ATOM 357 N MET A 22 -0.662 -5.295 -5.845 1.00 5.32 N ATOM 358 CA MET A 22 0.521 -6.083 -5.745 1.00 74.43 C ATOM 359 C MET A 22 1.014 -6.452 -7.125 1.00 55.42 C ATOM 360 O MET A 22 0.358 -7.195 -7.861 1.00 54.50 O ATOM 361 CB MET A 22 0.281 -7.358 -4.940 1.00 44.43 C ATOM 362 CG MET A 22 -0.049 -7.142 -3.478 1.00 51.44 C ATOM 363 SD MET A 22 -0.290 -8.704 -2.605 1.00 0.41 S ATOM 364 CE MET A 22 -0.615 -8.117 -0.949 1.00 12.44 C ATOM 0 H MET A 22 -1.519 -5.817 -6.027 1.00 5.32 H new ATOM 0 HA MET A 22 1.271 -5.486 -5.227 1.00 74.43 H new ATOM 0 HB2 MET A 22 -0.535 -7.913 -5.403 1.00 44.43 H new ATOM 0 HB3 MET A 22 1.171 -7.984 -5.007 1.00 44.43 H new ATOM 0 HG2 MET A 22 0.756 -6.581 -3.003 1.00 51.44 H new ATOM 0 HG3 MET A 22 -0.952 -6.537 -3.395 1.00 51.44 H new ATOM 0 HE1 MET A 22 -0.058 -8.721 -0.233 1.00 12.44 H new ATOM 0 HE2 MET A 22 -0.305 -7.076 -0.865 1.00 12.44 H new ATOM 0 HE3 MET A 22 -1.681 -8.196 -0.738 1.00 12.44 H new ATOM 374 N LYS A 23 2.129 -5.901 -7.475 1.00 22.11 N ATOM 375 CA LYS A 23 2.849 -6.240 -8.671 1.00 44.53 C ATOM 376 C LYS A 23 4.268 -5.795 -8.466 1.00 71.03 C ATOM 377 O LYS A 23 4.481 -4.785 -7.820 1.00 52.13 O ATOM 378 CB LYS A 23 2.210 -5.711 -10.019 1.00 22.11 C ATOM 379 CG LYS A 23 2.110 -4.193 -10.264 1.00 64.22 C ATOM 380 CD LYS A 23 1.187 -3.485 -9.294 1.00 44.12 C ATOM 381 CE LYS A 23 1.022 -2.009 -9.658 1.00 22.10 C ATOM 382 NZ LYS A 23 0.234 -1.795 -10.883 1.00 44.15 N ATOM 0 H LYS A 23 2.585 -5.176 -6.921 1.00 22.11 H new ATOM 0 HA LYS A 23 2.799 -7.319 -8.817 1.00 44.53 H new ATOM 0 HB2 LYS A 23 2.783 -6.138 -10.842 1.00 22.11 H new ATOM 0 HB3 LYS A 23 1.202 -6.120 -10.086 1.00 22.11 H new ATOM 0 HG2 LYS A 23 3.105 -3.755 -10.192 1.00 64.22 H new ATOM 0 HG3 LYS A 23 1.758 -4.019 -11.281 1.00 64.22 H new ATOM 0 HD2 LYS A 23 0.212 -3.973 -9.295 1.00 44.12 H new ATOM 0 HD3 LYS A 23 1.585 -3.570 -8.283 1.00 44.12 H new ATOM 0 HE2 LYS A 23 0.541 -1.489 -8.829 1.00 22.10 H new ATOM 0 HE3 LYS A 23 2.008 -1.561 -9.786 1.00 22.10 H new ATOM 0 HZ1 LYS A 23 0.259 -0.788 -11.140 1.00 44.15 H new ATOM 0 HZ2 LYS A 23 0.637 -2.360 -11.658 1.00 44.15 H new ATOM 0 HZ3 LYS A 23 -0.751 -2.086 -10.718 1.00 44.15 H new ATOM 396 N PRO A 24 5.269 -6.533 -8.968 1.00 51.41 N ATOM 397 CA PRO A 24 6.695 -6.233 -8.701 1.00 21.40 C ATOM 398 C PRO A 24 7.149 -4.857 -9.196 1.00 44.04 C ATOM 399 O PRO A 24 8.251 -4.418 -8.868 1.00 31.00 O ATOM 400 CB PRO A 24 7.448 -7.347 -9.441 1.00 12.11 C ATOM 401 CG PRO A 24 6.482 -7.862 -10.450 1.00 44.33 C ATOM 402 CD PRO A 24 5.120 -7.710 -9.841 1.00 14.11 C ATOM 0 HA PRO A 24 6.886 -6.201 -7.628 1.00 21.40 H new ATOM 0 HB2 PRO A 24 8.350 -6.964 -9.918 1.00 12.11 H new ATOM 0 HB3 PRO A 24 7.760 -8.135 -8.756 1.00 12.11 H new ATOM 0 HG2 PRO A 24 6.557 -7.301 -11.382 1.00 44.33 H new ATOM 0 HG3 PRO A 24 6.688 -8.906 -10.689 1.00 44.33 H new ATOM 0 HD2 PRO A 24 4.355 -7.553 -10.601 1.00 14.11 H new ATOM 0 HD3 PRO A 24 4.831 -8.596 -9.276 1.00 14.11 H new ATOM 410 N LYS A 25 6.290 -4.197 -9.988 1.00 71.20 N ATOM 411 CA LYS A 25 6.521 -2.888 -10.612 1.00 5.51 C ATOM 412 C LYS A 25 7.573 -3.083 -11.722 1.00 12.15 C ATOM 413 O LYS A 25 7.340 -2.767 -12.891 1.00 10.55 O ATOM 414 CB LYS A 25 6.970 -1.816 -9.572 1.00 53.44 C ATOM 415 CG LYS A 25 6.657 -0.368 -9.966 1.00 50.21 C ATOM 416 CD LYS A 25 7.457 0.067 -11.159 1.00 34.41 C ATOM 417 CE LYS A 25 7.016 1.419 -11.685 1.00 25.10 C ATOM 418 NZ LYS A 25 7.829 1.859 -12.844 1.00 31.13 N ATOM 0 H LYS A 25 5.374 -4.580 -10.221 1.00 71.20 H new ATOM 0 HA LYS A 25 5.591 -2.510 -11.037 1.00 5.51 H new ATOM 0 HB2 LYS A 25 6.488 -2.031 -8.618 1.00 53.44 H new ATOM 0 HB3 LYS A 25 8.044 -1.911 -9.414 1.00 53.44 H new ATOM 0 HG2 LYS A 25 5.594 -0.272 -10.186 1.00 50.21 H new ATOM 0 HG3 LYS A 25 6.869 0.292 -9.125 1.00 50.21 H new ATOM 0 HD2 LYS A 25 8.512 0.111 -10.890 1.00 34.41 H new ATOM 0 HD3 LYS A 25 7.360 -0.677 -11.950 1.00 34.41 H new ATOM 0 HE2 LYS A 25 5.967 1.369 -11.977 1.00 25.10 H new ATOM 0 HE3 LYS A 25 7.091 2.159 -10.888 1.00 25.10 H new ATOM 0 HZ1 LYS A 25 7.795 2.896 -12.919 1.00 31.13 H new ATOM 0 HZ2 LYS A 25 8.815 1.554 -12.713 1.00 31.13 H new ATOM 0 HZ3 LYS A 25 7.449 1.436 -13.715 1.00 31.13 H new ATOM 432 N TYR A 26 8.708 -3.621 -11.333 1.00 61.02 N ATOM 433 CA TYR A 26 9.752 -4.014 -12.218 1.00 24.02 C ATOM 434 C TYR A 26 9.850 -5.524 -12.174 1.00 15.54 C ATOM 435 O TYR A 26 9.847 -6.105 -11.097 1.00 62.43 O ATOM 436 CB TYR A 26 11.095 -3.387 -11.808 1.00 23.22 C ATOM 437 CG TYR A 26 11.166 -1.915 -12.026 1.00 44.23 C ATOM 438 CD1 TYR A 26 11.613 -1.428 -13.229 1.00 33.31 C ATOM 439 CD2 TYR A 26 10.775 -1.018 -11.052 1.00 22.23 C ATOM 440 CE1 TYR A 26 11.670 -0.070 -13.476 1.00 0.44 C ATOM 441 CE2 TYR A 26 10.831 0.339 -11.279 1.00 10.44 C ATOM 442 CZ TYR A 26 11.276 0.808 -12.492 1.00 33.33 C ATOM 443 OH TYR A 26 11.313 2.163 -12.723 1.00 31.13 O ATOM 0 H TYR A 26 8.925 -3.798 -10.352 1.00 61.02 H new ATOM 0 HA TYR A 26 9.527 -3.669 -13.227 1.00 24.02 H new ATOM 0 HB2 TYR A 26 11.276 -3.597 -10.754 1.00 23.22 H new ATOM 0 HB3 TYR A 26 11.896 -3.867 -12.371 1.00 23.22 H new ATOM 0 HD1 TYR A 26 11.926 -2.120 -13.997 1.00 33.31 H new ATOM 0 HD2 TYR A 26 10.421 -1.385 -10.100 1.00 22.23 H new ATOM 0 HE1 TYR A 26 12.019 0.298 -14.429 1.00 0.44 H new ATOM 0 HE2 TYR A 26 10.527 1.031 -10.508 1.00 10.44 H new ATOM 0 HH TYR A 26 11.001 2.639 -11.926 1.00 31.13 H new ATOM 453 N PRO A 27 9.939 -6.199 -13.334 1.00 15.03 N ATOM 454 CA PRO A 27 10.030 -7.680 -13.392 1.00 11.43 C ATOM 455 C PRO A 27 11.318 -8.198 -12.730 1.00 55.21 C ATOM 456 O PRO A 27 11.473 -9.393 -12.459 1.00 12.33 O ATOM 457 CB PRO A 27 10.052 -7.983 -14.901 1.00 73.11 C ATOM 458 CG PRO A 27 9.539 -6.746 -15.564 1.00 32.53 C ATOM 459 CD PRO A 27 9.938 -5.600 -14.687 1.00 43.31 C ATOM 0 HA PRO A 27 9.209 -8.162 -12.861 1.00 11.43 H new ATOM 0 HB2 PRO A 27 11.061 -8.220 -15.239 1.00 73.11 H new ATOM 0 HB3 PRO A 27 9.426 -8.843 -15.138 1.00 73.11 H new ATOM 0 HG2 PRO A 27 9.962 -6.637 -16.563 1.00 32.53 H new ATOM 0 HG3 PRO A 27 8.456 -6.788 -15.680 1.00 32.53 H new ATOM 0 HD2 PRO A 27 10.919 -5.209 -14.956 1.00 43.31 H new ATOM 0 HD3 PRO A 27 9.234 -4.771 -14.761 1.00 43.31 H new ATOM 467 N HIS A 28 12.210 -7.286 -12.456 1.00 71.20 N ATOM 468 CA HIS A 28 13.486 -7.590 -11.858 1.00 52.31 C ATOM 469 C HIS A 28 13.466 -7.324 -10.335 1.00 4.31 C ATOM 470 O HIS A 28 14.516 -7.198 -9.710 1.00 3.54 O ATOM 471 CB HIS A 28 14.615 -6.784 -12.561 1.00 71.03 C ATOM 472 CG HIS A 28 14.503 -5.280 -12.494 1.00 34.23 C ATOM 473 ND1 HIS A 28 15.021 -4.546 -11.470 1.00 75.02 N ATOM 474 CD2 HIS A 28 13.934 -4.368 -13.339 1.00 12.01 C ATOM 475 CE1 HIS A 28 14.786 -3.277 -11.673 1.00 22.44 C ATOM 476 NE2 HIS A 28 14.140 -3.145 -12.795 1.00 33.51 N ATOM 0 H HIS A 28 12.071 -6.293 -12.644 1.00 71.20 H new ATOM 0 HA HIS A 28 13.689 -8.652 -11.997 1.00 52.31 H new ATOM 0 HB2 HIS A 28 15.569 -7.076 -12.122 1.00 71.03 H new ATOM 0 HB3 HIS A 28 14.644 -7.079 -13.610 1.00 71.03 H new ATOM 0 HD2 HIS A 28 13.419 -4.582 -14.264 1.00 12.01 H new ATOM 0 HE1 HIS A 28 15.080 -2.470 -11.018 1.00 22.44 H new ATOM 0 HE2 HIS A 28 13.837 -2.260 -13.201 1.00 33.51 H new ATOM 485 N CYS A 29 12.268 -7.298 -9.746 1.00 23.23 N ATOM 486 CA CYS A 29 12.097 -7.035 -8.312 1.00 14.32 C ATOM 487 C CYS A 29 11.672 -8.291 -7.553 1.00 74.44 C ATOM 488 O CYS A 29 11.123 -9.235 -8.151 1.00 3.40 O ATOM 489 CB CYS A 29 11.070 -5.903 -8.098 1.00 70.50 C ATOM 490 SG CYS A 29 11.662 -4.239 -8.567 1.00 23.41 S ATOM 0 H CYS A 29 11.393 -7.457 -10.245 1.00 23.23 H new ATOM 0 HA CYS A 29 13.062 -6.723 -7.914 1.00 14.32 H new ATOM 0 HB2 CYS A 29 10.173 -6.131 -8.674 1.00 70.50 H new ATOM 0 HB3 CYS A 29 10.779 -5.888 -7.048 1.00 70.50 H new ATOM 0 HG CYS A 29 10.650 -3.500 -8.912 1.00 23.41 H new ATOM 495 N GLU A 30 11.940 -8.305 -6.242 1.00 71.00 N ATOM 496 CA GLU A 30 11.657 -9.453 -5.389 1.00 74.50 C ATOM 497 C GLU A 30 10.201 -9.448 -4.986 1.00 53.33 C ATOM 498 O GLU A 30 9.707 -8.419 -4.545 1.00 54.22 O ATOM 499 CB GLU A 30 12.492 -9.382 -4.117 1.00 51.22 C ATOM 500 CG GLU A 30 13.961 -9.329 -4.300 1.00 61.51 C ATOM 501 CD GLU A 30 14.663 -9.347 -2.974 1.00 43.04 C ATOM 502 OE1 GLU A 30 14.624 -10.397 -2.297 1.00 42.23 O ATOM 503 OE2 GLU A 30 15.200 -8.318 -2.547 1.00 63.32 O ATOM 0 H GLU A 30 12.359 -7.518 -5.747 1.00 71.00 H new ATOM 0 HA GLU A 30 11.896 -10.358 -5.947 1.00 74.50 H new ATOM 0 HB2 GLU A 30 12.185 -8.500 -3.555 1.00 51.22 H new ATOM 0 HB3 GLU A 30 12.255 -10.250 -3.503 1.00 51.22 H new ATOM 0 HG2 GLU A 30 14.288 -10.177 -4.901 1.00 61.51 H new ATOM 0 HG3 GLU A 30 14.232 -8.426 -4.848 1.00 61.51 H new ATOM 510 N GLU A 31 9.532 -10.605 -5.104 1.00 61.33 N ATOM 511 CA GLU A 31 8.106 -10.739 -4.782 1.00 73.11 C ATOM 512 C GLU A 31 7.276 -9.704 -5.558 1.00 24.01 C ATOM 513 O GLU A 31 7.719 -9.175 -6.596 1.00 32.02 O ATOM 514 CB GLU A 31 7.873 -10.607 -3.256 1.00 41.54 C ATOM 515 CG GLU A 31 8.515 -11.714 -2.420 1.00 34.43 C ATOM 516 CD GLU A 31 8.194 -11.608 -0.936 1.00 44.31 C ATOM 517 OE1 GLU A 31 7.123 -12.096 -0.507 1.00 14.33 O ATOM 518 OE2 GLU A 31 9.008 -11.066 -0.167 1.00 3.12 O ATOM 0 H GLU A 31 9.965 -11.471 -5.425 1.00 61.33 H new ATOM 0 HA GLU A 31 7.778 -11.733 -5.087 1.00 73.11 H new ATOM 0 HB2 GLU A 31 8.263 -9.645 -2.923 1.00 41.54 H new ATOM 0 HB3 GLU A 31 6.800 -10.600 -3.064 1.00 41.54 H new ATOM 0 HG2 GLU A 31 8.177 -12.682 -2.790 1.00 34.43 H new ATOM 0 HG3 GLU A 31 9.596 -11.681 -2.554 1.00 34.43 H new ATOM 525 N LYS A 32 6.078 -9.470 -5.126 1.00 4.13 N ATOM 526 CA LYS A 32 5.295 -8.423 -5.698 1.00 34.41 C ATOM 527 C LYS A 32 5.500 -7.207 -4.839 1.00 61.34 C ATOM 528 O LYS A 32 5.562 -7.316 -3.615 1.00 72.50 O ATOM 529 CB LYS A 32 3.799 -8.764 -5.704 1.00 23.31 C ATOM 530 CG LYS A 32 3.432 -10.083 -6.354 1.00 20.44 C ATOM 531 CD LYS A 32 3.885 -10.180 -7.780 1.00 41.23 C ATOM 532 CE LYS A 32 3.457 -11.499 -8.425 1.00 2.30 C ATOM 533 NZ LYS A 32 3.969 -12.683 -7.691 1.00 52.45 N ATOM 0 H LYS A 32 5.620 -9.991 -4.378 1.00 4.13 H new ATOM 0 HA LYS A 32 5.604 -8.266 -6.731 1.00 34.41 H new ATOM 0 HB2 LYS A 32 3.443 -8.775 -4.674 1.00 23.31 H new ATOM 0 HB3 LYS A 32 3.264 -7.965 -6.217 1.00 23.31 H new ATOM 0 HG2 LYS A 32 3.874 -10.899 -5.782 1.00 20.44 H new ATOM 0 HG3 LYS A 32 2.351 -10.214 -6.312 1.00 20.44 H new ATOM 0 HD2 LYS A 32 3.473 -9.347 -8.349 1.00 41.23 H new ATOM 0 HD3 LYS A 32 4.970 -10.090 -7.823 1.00 41.23 H new ATOM 0 HE2 LYS A 32 2.369 -11.543 -8.466 1.00 2.30 H new ATOM 0 HE3 LYS A 32 3.816 -11.530 -9.454 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 3.799 -13.541 -8.254 1.00 52.45 H new ATOM 0 HZ2 LYS A 32 4.990 -12.574 -7.526 1.00 52.45 H new ATOM 0 HZ3 LYS A 32 3.477 -12.765 -6.778 1.00 52.45 H new ATOM 547 N MET A 33 5.613 -6.070 -5.445 1.00 34.10 N ATOM 548 CA MET A 33 5.748 -4.859 -4.674 1.00 23.22 C ATOM 549 C MET A 33 4.376 -4.403 -4.331 1.00 1.10 C ATOM 550 O MET A 33 3.407 -4.695 -5.059 1.00 25.44 O ATOM 551 CB MET A 33 6.455 -3.725 -5.438 1.00 64.12 C ATOM 552 CG MET A 33 7.913 -3.936 -5.894 1.00 53.03 C ATOM 553 SD MET A 33 9.184 -3.987 -4.588 1.00 1.41 S ATOM 554 CE MET A 33 8.918 -5.577 -3.834 1.00 61.03 C ATOM 0 H MET A 33 5.616 -5.945 -6.457 1.00 34.10 H new ATOM 0 HA MET A 33 6.358 -5.082 -3.799 1.00 23.22 H new ATOM 0 HB2 MET A 33 5.860 -3.503 -6.324 1.00 64.12 H new ATOM 0 HB3 MET A 33 6.431 -2.836 -4.807 1.00 64.12 H new ATOM 0 HG2 MET A 33 7.962 -4.871 -6.453 1.00 53.03 H new ATOM 0 HG3 MET A 33 8.171 -3.136 -6.588 1.00 53.03 H new ATOM 0 HE1 MET A 33 9.877 -6.012 -3.555 1.00 61.03 H new ATOM 0 HE2 MET A 33 8.300 -5.459 -2.944 1.00 61.03 H new ATOM 0 HE3 MET A 33 8.413 -6.235 -4.541 1.00 61.03 H new ATOM 564 N VAL A 34 4.266 -3.713 -3.263 1.00 25.03 N ATOM 565 CA VAL A 34 3.018 -3.191 -2.873 1.00 52.12 C ATOM 566 C VAL A 34 2.942 -1.755 -3.315 1.00 54.11 C ATOM 567 O VAL A 34 3.662 -0.895 -2.804 1.00 30.52 O ATOM 568 CB VAL A 34 2.814 -3.282 -1.365 1.00 65.21 C ATOM 569 CG1 VAL A 34 1.479 -2.692 -0.993 1.00 43.45 C ATOM 570 CG2 VAL A 34 2.907 -4.730 -0.892 1.00 52.54 C ATOM 0 H VAL A 34 5.039 -3.494 -2.634 1.00 25.03 H new ATOM 0 HA VAL A 34 2.230 -3.779 -3.343 1.00 52.12 H new ATOM 0 HB VAL A 34 3.603 -2.714 -0.872 1.00 65.21 H new ATOM 0 HG11 VAL A 34 1.339 -2.760 0.086 1.00 43.45 H new ATOM 0 HG12 VAL A 34 1.446 -1.646 -1.298 1.00 43.45 H new ATOM 0 HG13 VAL A 34 0.685 -3.242 -1.497 1.00 43.45 H new ATOM 0 HG21 VAL A 34 2.758 -4.771 0.187 1.00 52.54 H new ATOM 0 HG22 VAL A 34 2.139 -5.324 -1.387 1.00 52.54 H new ATOM 0 HG23 VAL A 34 3.890 -5.131 -1.138 1.00 52.54 H new ATOM 580 N ILE A 35 2.112 -1.511 -4.267 1.00 3.21 N ATOM 581 CA ILE A 35 1.948 -0.206 -4.815 1.00 3.25 C ATOM 582 C ILE A 35 0.759 0.441 -4.149 1.00 52.03 C ATOM 583 O ILE A 35 -0.370 -0.052 -4.267 1.00 31.12 O ATOM 584 CB ILE A 35 1.696 -0.289 -6.324 1.00 64.44 C ATOM 585 CG1 ILE A 35 2.801 -1.103 -7.025 1.00 25.43 C ATOM 586 CG2 ILE A 35 1.559 1.101 -6.936 1.00 12.22 C ATOM 587 CD1 ILE A 35 4.206 -0.523 -6.968 1.00 54.34 C ATOM 0 H ILE A 35 1.518 -2.221 -4.695 1.00 3.21 H new ATOM 0 HA ILE A 35 2.852 0.378 -4.644 1.00 3.25 H new ATOM 0 HB ILE A 35 0.752 -0.811 -6.478 1.00 64.44 H new ATOM 0 HG12 ILE A 35 2.824 -2.099 -6.583 1.00 25.43 H new ATOM 0 HG13 ILE A 35 2.524 -1.225 -8.072 1.00 25.43 H new ATOM 0 HG21 ILE A 35 1.381 1.011 -8.008 1.00 12.22 H new ATOM 0 HG22 ILE A 35 0.722 1.622 -6.472 1.00 12.22 H new ATOM 0 HG23 ILE A 35 2.476 1.665 -6.767 1.00 12.22 H new ATOM 0 HD11 ILE A 35 4.894 -1.184 -7.495 1.00 54.34 H new ATOM 0 HD12 ILE A 35 4.213 0.459 -7.440 1.00 54.34 H new ATOM 0 HD13 ILE A 35 4.519 -0.428 -5.928 1.00 54.34 H new ATOM 599 N ILE A 36 1.002 1.495 -3.438 1.00 23.41 N ATOM 600 CA ILE A 36 -0.043 2.187 -2.734 1.00 51.42 C ATOM 601 C ILE A 36 -0.354 3.498 -3.426 1.00 43.13 C ATOM 602 O ILE A 36 0.516 4.369 -3.544 1.00 45.43 O ATOM 603 CB ILE A 36 0.352 2.452 -1.258 1.00 51.12 C ATOM 604 CG1 ILE A 36 0.613 1.125 -0.521 1.00 41.51 C ATOM 605 CG2 ILE A 36 -0.734 3.250 -0.542 1.00 52.34 C ATOM 606 CD1 ILE A 36 -0.605 0.234 -0.384 1.00 52.15 C ATOM 0 H ILE A 36 1.929 1.905 -3.325 1.00 23.41 H new ATOM 0 HA ILE A 36 -0.930 1.553 -2.740 1.00 51.42 H new ATOM 0 HB ILE A 36 1.270 3.039 -1.253 1.00 51.12 H new ATOM 0 HG12 ILE A 36 1.391 0.576 -1.051 1.00 41.51 H new ATOM 0 HG13 ILE A 36 1.000 1.346 0.474 1.00 41.51 H new ATOM 0 HG21 ILE A 36 -0.436 3.424 0.492 1.00 52.34 H new ATOM 0 HG22 ILE A 36 -0.874 4.207 -1.045 1.00 52.34 H new ATOM 0 HG23 ILE A 36 -1.669 2.690 -0.560 1.00 52.34 H new ATOM 0 HD11 ILE A 36 -0.331 -0.678 0.147 1.00 52.15 H new ATOM 0 HD12 ILE A 36 -1.380 0.760 0.174 1.00 52.15 H new ATOM 0 HD13 ILE A 36 -0.982 -0.022 -1.374 1.00 52.15 H new ATOM 618 N THR A 37 -1.577 3.638 -3.844 1.00 73.11 N ATOM 619 CA THR A 37 -2.037 4.812 -4.533 1.00 72.13 C ATOM 620 C THR A 37 -2.673 5.742 -3.498 1.00 4.40 C ATOM 621 O THR A 37 -3.540 5.314 -2.731 1.00 63.22 O ATOM 622 CB THR A 37 -3.091 4.386 -5.573 1.00 51.34 C ATOM 623 OG1 THR A 37 -2.515 3.385 -6.429 1.00 11.40 O ATOM 624 CG2 THR A 37 -3.562 5.555 -6.423 1.00 32.51 C ATOM 0 H THR A 37 -2.298 2.928 -3.714 1.00 73.11 H new ATOM 0 HA THR A 37 -1.217 5.323 -5.039 1.00 72.13 H new ATOM 0 HB THR A 37 -3.956 3.996 -5.037 1.00 51.34 H new ATOM 0 HG1 THR A 37 -3.028 3.333 -7.263 1.00 11.40 H new ATOM 0 HG21 THR A 37 -4.304 5.207 -7.141 1.00 32.51 H new ATOM 0 HG22 THR A 37 -4.007 6.315 -5.781 1.00 32.51 H new ATOM 0 HG23 THR A 37 -2.713 5.982 -6.957 1.00 32.51 H new ATOM 632 N THR A 38 -2.240 6.982 -3.471 1.00 15.45 N ATOM 633 CA THR A 38 -2.684 7.919 -2.472 1.00 23.54 C ATOM 634 C THR A 38 -3.790 8.827 -3.000 1.00 34.43 C ATOM 635 O THR A 38 -3.956 8.977 -4.225 1.00 1.23 O ATOM 636 CB THR A 38 -1.486 8.768 -1.991 1.00 22.31 C ATOM 637 OG1 THR A 38 -0.849 9.437 -3.112 1.00 24.33 O ATOM 638 CG2 THR A 38 -0.474 7.879 -1.314 1.00 65.32 C ATOM 0 H THR A 38 -1.572 7.366 -4.140 1.00 15.45 H new ATOM 0 HA THR A 38 -3.095 7.353 -1.636 1.00 23.54 H new ATOM 0 HB THR A 38 -1.855 9.517 -1.291 1.00 22.31 H new ATOM 0 HG1 THR A 38 -0.085 8.905 -3.419 1.00 24.33 H new ATOM 0 HG21 THR A 38 0.370 8.480 -0.976 1.00 65.32 H new ATOM 0 HG22 THR A 38 -0.936 7.388 -0.458 1.00 65.32 H new ATOM 0 HG23 THR A 38 -0.123 7.125 -2.019 1.00 65.32 H new ATOM 646 N LYS A 39 -4.558 9.416 -2.086 1.00 13.21 N ATOM 647 CA LYS A 39 -5.630 10.313 -2.481 1.00 54.00 C ATOM 648 C LYS A 39 -5.118 11.692 -2.859 1.00 33.23 C ATOM 649 O LYS A 39 -5.458 12.200 -3.925 1.00 14.43 O ATOM 650 CB LYS A 39 -6.751 10.396 -1.418 1.00 31.32 C ATOM 651 CG LYS A 39 -6.316 10.921 -0.058 1.00 63.42 C ATOM 652 CD LYS A 39 -7.447 10.891 0.961 1.00 60.24 C ATOM 653 CE LYS A 39 -8.607 11.782 0.565 1.00 13.40 C ATOM 654 NZ LYS A 39 -9.699 11.707 1.549 1.00 54.24 N ATOM 0 H LYS A 39 -4.457 9.288 -1.079 1.00 13.21 H new ATOM 0 HA LYS A 39 -6.073 9.879 -3.377 1.00 54.00 H new ATOM 0 HB2 LYS A 39 -7.545 11.037 -1.800 1.00 31.32 H new ATOM 0 HB3 LYS A 39 -7.179 9.402 -1.286 1.00 31.32 H new ATOM 0 HG2 LYS A 39 -5.482 10.323 0.310 1.00 63.42 H new ATOM 0 HG3 LYS A 39 -5.953 11.943 -0.165 1.00 63.42 H new ATOM 0 HD2 LYS A 39 -7.802 9.867 1.075 1.00 60.24 H new ATOM 0 HD3 LYS A 39 -7.066 11.206 1.932 1.00 60.24 H new ATOM 0 HE2 LYS A 39 -8.263 12.813 0.478 1.00 13.40 H new ATOM 0 HE3 LYS A 39 -8.978 11.485 -0.416 1.00 13.40 H new ATOM 0 HZ1 LYS A 39 -10.478 12.327 1.251 1.00 54.24 H new ATOM 0 HZ2 LYS A 39 -10.042 10.727 1.613 1.00 54.24 H new ATOM 0 HZ3 LYS A 39 -9.350 12.013 2.479 1.00 54.24 H new ATOM 668 N SER A 40 -4.259 12.262 -1.995 1.00 33.12 N ATOM 669 CA SER A 40 -3.708 13.623 -2.162 1.00 24.35 C ATOM 670 C SER A 40 -3.100 14.088 -0.843 1.00 42.50 C ATOM 671 O SER A 40 -2.072 14.764 -0.825 1.00 53.15 O ATOM 672 CB SER A 40 -4.815 14.636 -2.564 1.00 1.35 C ATOM 673 OG SER A 40 -4.286 15.934 -2.780 1.00 14.02 O ATOM 0 H SER A 40 -3.924 11.790 -1.155 1.00 33.12 H new ATOM 0 HA SER A 40 -2.956 13.584 -2.950 1.00 24.35 H new ATOM 0 HB2 SER A 40 -5.312 14.291 -3.470 1.00 1.35 H new ATOM 0 HB3 SER A 40 -5.572 14.677 -1.781 1.00 1.35 H new ATOM 0 HG SER A 40 -5.010 16.544 -3.033 1.00 14.02 H new ATOM 679 N VAL A 41 -3.744 13.693 0.270 1.00 44.30 N ATOM 680 CA VAL A 41 -3.335 14.125 1.614 1.00 0.24 C ATOM 681 C VAL A 41 -1.920 13.646 1.932 1.00 74.14 C ATOM 682 O VAL A 41 -1.153 14.338 2.612 1.00 33.32 O ATOM 683 CB VAL A 41 -4.334 13.633 2.703 1.00 2.34 C ATOM 684 CG1 VAL A 41 -3.942 14.137 4.091 1.00 53.24 C ATOM 685 CG2 VAL A 41 -5.747 14.074 2.364 1.00 42.24 C ATOM 0 H VAL A 41 -4.553 13.072 0.262 1.00 44.30 H new ATOM 0 HA VAL A 41 -3.343 15.215 1.622 1.00 0.24 H new ATOM 0 HB VAL A 41 -4.296 12.544 2.719 1.00 2.34 H new ATOM 0 HG11 VAL A 41 -4.661 13.775 4.826 1.00 53.24 H new ATOM 0 HG12 VAL A 41 -2.948 13.769 4.344 1.00 53.24 H new ATOM 0 HG13 VAL A 41 -3.938 15.227 4.094 1.00 53.24 H new ATOM 0 HG21 VAL A 41 -6.433 13.722 3.135 1.00 42.24 H new ATOM 0 HG22 VAL A 41 -5.786 15.162 2.313 1.00 42.24 H new ATOM 0 HG23 VAL A 41 -6.038 13.655 1.401 1.00 42.24 H new ATOM 695 N SER A 42 -1.586 12.478 1.435 1.00 14.23 N ATOM 696 CA SER A 42 -0.264 11.927 1.568 1.00 35.11 C ATOM 697 C SER A 42 0.749 12.827 0.852 1.00 44.05 C ATOM 698 O SER A 42 0.418 13.486 -0.147 1.00 74.45 O ATOM 699 CB SER A 42 -0.240 10.523 0.960 1.00 74.32 C ATOM 700 OG SER A 42 1.039 9.909 1.088 1.00 74.34 O ATOM 0 H SER A 42 -2.234 11.880 0.922 1.00 14.23 H new ATOM 0 HA SER A 42 0.003 11.869 2.623 1.00 35.11 H new ATOM 0 HB2 SER A 42 -0.991 9.903 1.450 1.00 74.32 H new ATOM 0 HB3 SER A 42 -0.511 10.579 -0.094 1.00 74.32 H new ATOM 0 HG SER A 42 0.960 9.100 1.636 1.00 74.34 H new ATOM 706 N ARG A 43 1.980 12.826 1.350 1.00 50.23 N ATOM 707 CA ARG A 43 3.069 13.672 0.845 1.00 22.41 C ATOM 708 C ARG A 43 3.337 13.427 -0.648 1.00 52.12 C ATOM 709 O ARG A 43 3.913 14.263 -1.329 1.00 13.22 O ATOM 710 CB ARG A 43 4.339 13.419 1.668 1.00 71.05 C ATOM 711 CG ARG A 43 5.507 14.323 1.323 1.00 41.35 C ATOM 712 CD ARG A 43 6.716 14.001 2.176 1.00 45.34 C ATOM 713 NE ARG A 43 7.840 14.887 1.886 1.00 71.15 N ATOM 714 CZ ARG A 43 9.124 14.596 2.105 1.00 64.21 C ATOM 715 NH1 ARG A 43 9.474 13.424 2.632 1.00 53.31 N ATOM 716 NH2 ARG A 43 10.051 15.480 1.806 1.00 54.44 N ATOM 0 H ARG A 43 2.260 12.230 2.129 1.00 50.23 H new ATOM 0 HA ARG A 43 2.767 14.714 0.951 1.00 22.41 H new ATOM 0 HB2 ARG A 43 4.102 13.542 2.725 1.00 71.05 H new ATOM 0 HB3 ARG A 43 4.646 12.382 1.529 1.00 71.05 H new ATOM 0 HG2 ARG A 43 5.761 14.208 0.269 1.00 41.35 H new ATOM 0 HG3 ARG A 43 5.221 15.364 1.471 1.00 41.35 H new ATOM 0 HD2 ARG A 43 6.450 14.086 3.230 1.00 45.34 H new ATOM 0 HD3 ARG A 43 7.016 12.967 2.005 1.00 45.34 H new ATOM 0 HE ARG A 43 7.627 15.800 1.484 1.00 71.15 H new ATOM 0 HH11 ARG A 43 8.758 12.739 2.872 1.00 53.31 H new ATOM 0 HH12 ARG A 43 10.458 13.212 2.795 1.00 53.31 H new ATOM 0 HH21 ARG A 43 9.787 16.382 1.409 1.00 54.44 H new ATOM 0 HH22 ARG A 43 11.034 15.264 1.971 1.00 54.44 H new ATOM 730 N TYR A 44 2.894 12.291 -1.143 1.00 55.22 N ATOM 731 CA TYR A 44 3.063 11.949 -2.546 1.00 54.44 C ATOM 732 C TYR A 44 2.152 12.726 -3.475 1.00 33.32 C ATOM 733 O TYR A 44 2.371 12.726 -4.674 1.00 22.04 O ATOM 734 CB TYR A 44 2.975 10.451 -2.783 1.00 32.41 C ATOM 735 CG TYR A 44 4.260 9.723 -2.487 1.00 3.32 C ATOM 736 CD1 TYR A 44 4.809 9.734 -1.233 1.00 22.34 C ATOM 737 CD2 TYR A 44 4.923 9.028 -3.483 1.00 41.22 C ATOM 738 CE1 TYR A 44 5.989 9.074 -0.969 1.00 63.41 C ATOM 739 CE2 TYR A 44 6.104 8.362 -3.229 1.00 54.10 C ATOM 740 CZ TYR A 44 6.631 8.390 -1.968 1.00 1.33 C ATOM 741 OH TYR A 44 7.806 7.727 -1.697 1.00 44.43 O ATOM 0 H TYR A 44 2.410 11.581 -0.593 1.00 55.22 H new ATOM 0 HA TYR A 44 4.076 12.260 -2.802 1.00 54.44 H new ATOM 0 HB2 TYR A 44 2.180 10.038 -2.161 1.00 32.41 H new ATOM 0 HB3 TYR A 44 2.694 10.270 -3.821 1.00 32.41 H new ATOM 0 HD1 TYR A 44 4.309 10.268 -0.438 1.00 22.34 H new ATOM 0 HD2 TYR A 44 4.507 9.007 -4.480 1.00 41.22 H new ATOM 0 HE1 TYR A 44 6.408 9.096 0.026 1.00 63.41 H new ATOM 0 HE2 TYR A 44 6.607 7.824 -4.019 1.00 54.10 H new ATOM 0 HH TYR A 44 8.132 7.292 -2.512 1.00 44.43 H new ATOM 751 N ARG A 45 1.118 13.372 -2.916 1.00 11.12 N ATOM 752 CA ARG A 45 0.225 14.265 -3.669 1.00 62.13 C ATOM 753 C ARG A 45 -0.418 13.491 -4.868 1.00 55.41 C ATOM 754 O ARG A 45 -0.699 14.047 -5.927 1.00 13.55 O ATOM 755 CB ARG A 45 1.091 15.486 -4.124 1.00 32.31 C ATOM 756 CG ARG A 45 0.364 16.826 -4.321 1.00 5.32 C ATOM 757 CD ARG A 45 -0.549 16.885 -5.532 1.00 52.43 C ATOM 758 NE ARG A 45 -1.201 18.195 -5.649 1.00 73.23 N ATOM 759 CZ ARG A 45 -1.848 18.645 -6.734 1.00 11.45 C ATOM 760 NH1 ARG A 45 -1.944 17.885 -7.809 1.00 10.14 N ATOM 761 NH2 ARG A 45 -2.411 19.852 -6.724 1.00 63.02 N ATOM 0 H ARG A 45 0.877 13.290 -1.928 1.00 11.12 H new ATOM 0 HA ARG A 45 -0.608 14.622 -3.064 1.00 62.13 H new ATOM 0 HB2 ARG A 45 1.880 15.634 -3.387 1.00 32.31 H new ATOM 0 HB3 ARG A 45 1.578 15.224 -5.063 1.00 32.31 H new ATOM 0 HG2 ARG A 45 -0.226 17.038 -3.429 1.00 5.32 H new ATOM 0 HG3 ARG A 45 1.108 17.618 -4.406 1.00 5.32 H new ATOM 0 HD2 ARG A 45 0.028 16.682 -6.434 1.00 52.43 H new ATOM 0 HD3 ARG A 45 -1.307 16.105 -5.456 1.00 52.43 H new ATOM 0 HE ARG A 45 -1.158 18.813 -4.839 1.00 73.23 H new ATOM 0 HH11 ARG A 45 -1.526 16.955 -7.815 1.00 10.14 H new ATOM 0 HH12 ARG A 45 -2.436 18.228 -8.634 1.00 10.14 H new ATOM 0 HH21 ARG A 45 -2.351 20.436 -5.890 1.00 63.02 H new ATOM 0 HH22 ARG A 45 -2.903 20.192 -7.550 1.00 63.02 H new ATOM 775 N GLY A 46 -0.697 12.219 -4.665 1.00 64.21 N ATOM 776 CA GLY A 46 -1.292 11.430 -5.716 1.00 72.14 C ATOM 777 C GLY A 46 -0.289 10.563 -6.445 1.00 4.42 C ATOM 778 O GLY A 46 -0.597 9.994 -7.488 1.00 44.41 O ATOM 0 H GLY A 46 -0.523 11.718 -3.794 1.00 64.21 H new ATOM 0 HA2 GLY A 46 -2.070 10.796 -5.291 1.00 72.14 H new ATOM 0 HA3 GLY A 46 -1.777 12.094 -6.431 1.00 72.14 H new ATOM 782 N GLN A 47 0.908 10.483 -5.922 1.00 32.33 N ATOM 783 CA GLN A 47 1.901 9.566 -6.442 1.00 11.41 C ATOM 784 C GLN A 47 1.910 8.304 -5.595 1.00 5.31 C ATOM 785 O GLN A 47 1.463 8.318 -4.429 1.00 43.24 O ATOM 786 CB GLN A 47 3.294 10.180 -6.549 1.00 24.42 C ATOM 787 CG GLN A 47 3.369 11.376 -7.475 1.00 55.42 C ATOM 788 CD GLN A 47 4.783 11.860 -7.661 1.00 5.51 C ATOM 789 OE1 GLN A 47 5.277 12.696 -6.903 1.00 34.42 O ATOM 790 NE2 GLN A 47 5.441 11.354 -8.666 1.00 22.34 N ATOM 0 H GLN A 47 1.224 11.044 -5.131 1.00 32.33 H new ATOM 0 HA GLN A 47 1.619 9.318 -7.465 1.00 11.41 H new ATOM 0 HB2 GLN A 47 3.625 10.481 -5.555 1.00 24.42 H new ATOM 0 HB3 GLN A 47 3.990 9.418 -6.899 1.00 24.42 H new ATOM 0 HG2 GLN A 47 2.947 11.111 -8.444 1.00 55.42 H new ATOM 0 HG3 GLN A 47 2.759 12.185 -7.072 1.00 55.42 H new ATOM 0 HE21 GLN A 47 4.996 10.664 -9.271 1.00 22.34 H new ATOM 0 HE22 GLN A 47 6.401 11.648 -8.847 1.00 22.34 H new ATOM 799 N GLU A 48 2.392 7.229 -6.148 1.00 21.30 N ATOM 800 CA GLU A 48 2.305 5.958 -5.479 1.00 3.21 C ATOM 801 C GLU A 48 3.523 5.693 -4.609 1.00 53.14 C ATOM 802 O GLU A 48 4.663 6.004 -4.977 1.00 52.50 O ATOM 803 CB GLU A 48 2.154 4.787 -6.480 1.00 1.23 C ATOM 804 CG GLU A 48 0.921 4.809 -7.395 1.00 14.14 C ATOM 805 CD GLU A 48 0.928 5.938 -8.395 1.00 34.04 C ATOM 806 OE1 GLU A 48 1.729 5.891 -9.350 1.00 45.44 O ATOM 807 OE2 GLU A 48 0.128 6.879 -8.252 1.00 1.33 O ATOM 0 H GLU A 48 2.849 7.204 -7.059 1.00 21.30 H new ATOM 0 HA GLU A 48 1.416 6.013 -4.851 1.00 3.21 H new ATOM 0 HB2 GLU A 48 3.043 4.762 -7.110 1.00 1.23 H new ATOM 0 HB3 GLU A 48 2.139 3.856 -5.913 1.00 1.23 H new ATOM 0 HG2 GLU A 48 0.860 3.862 -7.930 1.00 14.14 H new ATOM 0 HG3 GLU A 48 0.024 4.886 -6.780 1.00 14.14 H new ATOM 814 N HIS A 49 3.261 5.127 -3.447 1.00 20.41 N ATOM 815 CA HIS A 49 4.305 4.685 -2.524 1.00 52.32 C ATOM 816 C HIS A 49 4.542 3.246 -2.821 1.00 13.41 C ATOM 817 O HIS A 49 3.647 2.577 -3.356 1.00 74.42 O ATOM 818 CB HIS A 49 3.861 4.720 -1.039 1.00 2.10 C ATOM 819 CG HIS A 49 3.546 6.040 -0.423 1.00 20.30 C ATOM 820 ND1 HIS A 49 4.092 6.454 0.780 1.00 50.12 N ATOM 821 CD2 HIS A 49 2.658 6.985 -0.765 1.00 52.12 C ATOM 822 CE1 HIS A 49 3.546 7.593 1.137 1.00 21.05 C ATOM 823 NE2 HIS A 49 2.674 7.938 0.219 1.00 24.12 N ATOM 0 H HIS A 49 2.314 4.957 -3.109 1.00 20.41 H new ATOM 0 HA HIS A 49 5.165 5.342 -2.654 1.00 52.32 H new ATOM 0 HB2 HIS A 49 2.977 4.089 -0.942 1.00 2.10 H new ATOM 0 HB3 HIS A 49 4.650 4.257 -0.446 1.00 2.10 H new ATOM 0 HD2 HIS A 49 2.043 6.993 -1.653 1.00 52.12 H new ATOM 0 HE1 HIS A 49 3.775 8.151 2.033 1.00 21.05 H new ATOM 0 HE2 HIS A 49 2.100 8.781 0.235 1.00 24.12 H new ATOM 832 N CYS A 50 5.674 2.745 -2.495 1.00 2.15 N ATOM 833 CA CYS A 50 5.845 1.341 -2.631 1.00 11.23 C ATOM 834 C CYS A 50 6.242 0.799 -1.298 1.00 35.41 C ATOM 835 O CYS A 50 7.198 1.271 -0.676 1.00 53.41 O ATOM 836 CB CYS A 50 6.811 0.946 -3.763 1.00 65.30 C ATOM 837 SG CYS A 50 8.535 1.494 -3.582 1.00 60.14 S ATOM 0 H CYS A 50 6.478 3.264 -2.142 1.00 2.15 H new ATOM 0 HA CYS A 50 4.902 0.891 -2.940 1.00 11.23 H new ATOM 0 HB2 CYS A 50 6.805 -0.140 -3.853 1.00 65.30 H new ATOM 0 HB3 CYS A 50 6.422 1.346 -4.699 1.00 65.30 H new ATOM 0 HG CYS A 50 8.813 1.644 -2.321 1.00 60.14 H new ATOM 842 N LEU A 51 5.501 -0.151 -0.849 1.00 63.00 N ATOM 843 CA LEU A 51 5.690 -0.701 0.446 1.00 12.42 C ATOM 844 C LEU A 51 6.493 -1.979 0.343 1.00 70.22 C ATOM 845 O LEU A 51 6.198 -2.846 -0.485 1.00 22.31 O ATOM 846 CB LEU A 51 4.317 -0.890 1.120 1.00 42.24 C ATOM 847 CG LEU A 51 4.280 -1.458 2.533 1.00 63.43 C ATOM 848 CD1 LEU A 51 5.116 -0.628 3.465 1.00 54.25 C ATOM 849 CD2 LEU A 51 2.846 -1.497 3.030 1.00 62.02 C ATOM 0 H LEU A 51 4.737 -0.573 -1.377 1.00 63.00 H new ATOM 0 HA LEU A 51 6.265 -0.025 1.079 1.00 12.42 H new ATOM 0 HB2 LEU A 51 3.819 0.079 1.138 1.00 42.24 H new ATOM 0 HB3 LEU A 51 3.721 -1.543 0.483 1.00 42.24 H new ATOM 0 HG LEU A 51 4.688 -2.468 2.510 1.00 63.43 H new ATOM 0 HD11 LEU A 51 5.074 -1.053 4.468 1.00 54.25 H new ATOM 0 HD12 LEU A 51 6.149 -0.620 3.117 1.00 54.25 H new ATOM 0 HD13 LEU A 51 4.732 0.392 3.487 1.00 54.25 H new ATOM 0 HD21 LEU A 51 2.822 -1.904 4.041 1.00 62.02 H new ATOM 0 HD22 LEU A 51 2.435 -0.487 3.035 1.00 62.02 H new ATOM 0 HD23 LEU A 51 2.250 -2.128 2.371 1.00 62.02 H new ATOM 861 N HIS A 52 7.526 -2.059 1.154 1.00 21.10 N ATOM 862 CA HIS A 52 8.456 -3.166 1.169 1.00 3.11 C ATOM 863 C HIS A 52 7.818 -4.424 1.822 1.00 31.21 C ATOM 864 O HIS A 52 7.646 -4.484 3.039 1.00 15.44 O ATOM 865 CB HIS A 52 9.749 -2.684 1.870 1.00 22.24 C ATOM 866 CG HIS A 52 10.828 -3.684 2.048 1.00 43.14 C ATOM 867 ND1 HIS A 52 11.383 -4.400 1.019 1.00 22.45 N ATOM 868 CD2 HIS A 52 11.430 -4.104 3.160 1.00 54.23 C ATOM 869 CE1 HIS A 52 12.282 -5.232 1.510 1.00 61.52 C ATOM 870 NE2 HIS A 52 12.330 -5.063 2.803 1.00 51.40 N ATOM 0 H HIS A 52 7.747 -1.336 1.839 1.00 21.10 H new ATOM 0 HA HIS A 52 8.712 -3.480 0.157 1.00 3.11 H new ATOM 0 HB2 HIS A 52 10.153 -1.848 1.299 1.00 22.24 H new ATOM 0 HB3 HIS A 52 9.478 -2.298 2.853 1.00 22.24 H new ATOM 0 HD2 HIS A 52 11.239 -3.749 4.162 1.00 54.23 H new ATOM 0 HE1 HIS A 52 12.875 -5.932 0.940 1.00 61.52 H new ATOM 0 HE2 HIS A 52 12.943 -5.568 3.444 1.00 51.40 H new ATOM 879 N PRO A 53 7.476 -5.458 0.991 1.00 45.03 N ATOM 880 CA PRO A 53 6.731 -6.673 1.435 1.00 31.04 C ATOM 881 C PRO A 53 7.527 -7.616 2.338 1.00 4.23 C ATOM 882 O PRO A 53 7.020 -8.644 2.776 1.00 25.32 O ATOM 883 CB PRO A 53 6.384 -7.374 0.122 1.00 2.25 C ATOM 884 CG PRO A 53 7.456 -6.951 -0.812 1.00 34.32 C ATOM 885 CD PRO A 53 7.767 -5.523 -0.462 1.00 35.01 C ATOM 0 HA PRO A 53 5.874 -6.390 2.047 1.00 31.04 H new ATOM 0 HB2 PRO A 53 6.365 -8.457 0.242 1.00 2.25 H new ATOM 0 HB3 PRO A 53 5.400 -7.076 -0.240 1.00 2.25 H new ATOM 0 HG2 PRO A 53 8.339 -7.581 -0.704 1.00 34.32 H new ATOM 0 HG3 PRO A 53 7.128 -7.037 -1.848 1.00 34.32 H new ATOM 0 HD2 PRO A 53 8.806 -5.273 -0.676 1.00 35.01 H new ATOM 0 HD3 PRO A 53 7.149 -4.826 -1.028 1.00 35.01 H new ATOM 893 N LYS A 54 8.761 -7.275 2.605 1.00 41.34 N ATOM 894 CA LYS A 54 9.576 -8.074 3.490 1.00 34.55 C ATOM 895 C LYS A 54 9.263 -7.789 4.960 1.00 45.44 C ATOM 896 O LYS A 54 9.667 -8.534 5.847 1.00 60.33 O ATOM 897 CB LYS A 54 11.066 -7.882 3.235 1.00 3.11 C ATOM 898 CG LYS A 54 11.614 -8.665 2.053 1.00 34.34 C ATOM 899 CD LYS A 54 10.988 -8.305 0.728 1.00 51.34 C ATOM 900 CE LYS A 54 11.454 -9.261 -0.349 1.00 32.12 C ATOM 901 NZ LYS A 54 12.944 -9.361 -0.430 1.00 31.15 N ATOM 0 H LYS A 54 9.225 -6.451 2.224 1.00 41.34 H new ATOM 0 HA LYS A 54 9.325 -9.112 3.273 1.00 34.55 H new ATOM 0 HB2 LYS A 54 11.259 -6.822 3.072 1.00 3.11 H new ATOM 0 HB3 LYS A 54 11.614 -8.172 4.131 1.00 3.11 H new ATOM 0 HG2 LYS A 54 12.690 -8.501 1.990 1.00 34.34 H new ATOM 0 HG3 LYS A 54 11.464 -9.729 2.236 1.00 34.34 H new ATOM 0 HD2 LYS A 54 9.902 -8.340 0.810 1.00 51.34 H new ATOM 0 HD3 LYS A 54 11.255 -7.283 0.457 1.00 51.34 H new ATOM 0 HE2 LYS A 54 11.038 -10.250 -0.156 1.00 32.12 H new ATOM 0 HE3 LYS A 54 11.063 -8.934 -1.313 1.00 32.12 H new ATOM 0 HZ1 LYS A 54 13.207 -10.028 -1.183 1.00 31.15 H new ATOM 0 HZ2 LYS A 54 13.344 -8.425 -0.642 1.00 31.15 H new ATOM 0 HZ3 LYS A 54 13.319 -9.700 0.479 1.00 31.15 H new ATOM 915 N LEU A 55 8.556 -6.692 5.210 1.00 30.10 N ATOM 916 CA LEU A 55 8.232 -6.270 6.567 1.00 42.31 C ATOM 917 C LEU A 55 6.906 -6.860 7.017 1.00 34.54 C ATOM 918 O LEU A 55 5.986 -7.021 6.216 1.00 33.11 O ATOM 919 CB LEU A 55 8.161 -4.743 6.646 1.00 32.31 C ATOM 920 CG LEU A 55 9.425 -3.983 6.241 1.00 54.33 C ATOM 921 CD1 LEU A 55 9.200 -2.485 6.339 1.00 33.22 C ATOM 922 CD2 LEU A 55 10.615 -4.405 7.094 1.00 14.53 C ATOM 0 H LEU A 55 8.194 -6.075 4.483 1.00 30.10 H new ATOM 0 HA LEU A 55 9.020 -6.632 7.227 1.00 42.31 H new ATOM 0 HB2 LEU A 55 7.341 -4.406 6.012 1.00 32.31 H new ATOM 0 HB3 LEU A 55 7.908 -4.465 7.669 1.00 32.31 H new ATOM 0 HG LEU A 55 9.651 -4.231 5.204 1.00 54.33 H new ATOM 0 HD11 LEU A 55 10.110 -1.961 6.047 1.00 33.22 H new ATOM 0 HD12 LEU A 55 8.385 -2.195 5.675 1.00 33.22 H new ATOM 0 HD13 LEU A 55 8.943 -2.222 7.365 1.00 33.22 H new ATOM 0 HD21 LEU A 55 11.500 -3.849 6.784 1.00 14.53 H new ATOM 0 HD22 LEU A 55 10.403 -4.196 8.143 1.00 14.53 H new ATOM 0 HD23 LEU A 55 10.794 -5.473 6.966 1.00 14.53 H new ATOM 934 N GLN A 56 6.803 -7.160 8.301 1.00 70.40 N ATOM 935 CA GLN A 56 5.592 -7.745 8.864 1.00 25.12 C ATOM 936 C GLN A 56 4.517 -6.671 9.058 1.00 2.32 C ATOM 937 O GLN A 56 3.315 -6.950 8.978 1.00 25.30 O ATOM 938 CB GLN A 56 5.910 -8.459 10.194 1.00 11.30 C ATOM 939 CG GLN A 56 4.705 -9.106 10.897 1.00 72.02 C ATOM 940 CD GLN A 56 4.039 -10.235 10.102 1.00 31.12 C ATOM 941 OE1 GLN A 56 4.044 -10.253 8.872 1.00 0.11 O ATOM 942 NE2 GLN A 56 3.460 -11.172 10.805 1.00 51.55 N ATOM 0 H GLN A 56 7.549 -7.007 8.980 1.00 70.40 H new ATOM 0 HA GLN A 56 5.204 -8.486 8.165 1.00 25.12 H new ATOM 0 HB2 GLN A 56 6.656 -9.231 10.004 1.00 11.30 H new ATOM 0 HB3 GLN A 56 6.363 -7.738 10.875 1.00 11.30 H new ATOM 0 HG2 GLN A 56 5.030 -9.499 11.860 1.00 72.02 H new ATOM 0 HG3 GLN A 56 3.962 -8.335 11.102 1.00 72.02 H new ATOM 0 HE21 GLN A 56 3.474 -11.127 11.824 1.00 51.55 H new ATOM 0 HE22 GLN A 56 2.994 -11.948 10.335 1.00 51.55 H new ATOM 951 N SER A 57 4.958 -5.436 9.286 1.00 41.33 N ATOM 952 CA SER A 57 4.042 -4.312 9.440 1.00 34.45 C ATOM 953 C SER A 57 3.262 -4.089 8.136 1.00 13.41 C ATOM 954 O SER A 57 2.113 -3.611 8.144 1.00 13.54 O ATOM 955 CB SER A 57 4.822 -3.056 9.829 1.00 21.14 C ATOM 956 OG SER A 57 5.574 -3.283 11.023 1.00 13.32 O ATOM 0 H SER A 57 5.944 -5.190 9.368 1.00 41.33 H new ATOM 0 HA SER A 57 3.328 -4.534 10.233 1.00 34.45 H new ATOM 0 HB2 SER A 57 5.493 -2.772 9.018 1.00 21.14 H new ATOM 0 HB3 SER A 57 4.133 -2.225 9.979 1.00 21.14 H new ATOM 0 HG SER A 57 6.069 -2.470 11.257 1.00 13.32 H new ATOM 962 N THR A 58 3.889 -4.466 7.036 1.00 24.04 N ATOM 963 CA THR A 58 3.301 -4.404 5.731 1.00 45.12 C ATOM 964 C THR A 58 2.057 -5.287 5.671 1.00 52.43 C ATOM 965 O THR A 58 1.014 -4.852 5.200 1.00 54.12 O ATOM 966 CB THR A 58 4.337 -4.857 4.679 1.00 31.52 C ATOM 967 OG1 THR A 58 5.484 -3.992 4.748 1.00 2.14 O ATOM 968 CG2 THR A 58 3.752 -4.852 3.268 1.00 52.51 C ATOM 0 H THR A 58 4.842 -4.830 7.037 1.00 24.04 H new ATOM 0 HA THR A 58 3.002 -3.378 5.517 1.00 45.12 H new ATOM 0 HB THR A 58 4.630 -5.883 4.901 1.00 31.52 H new ATOM 0 HG1 THR A 58 6.155 -4.286 4.097 1.00 2.14 H new ATOM 0 HG21 THR A 58 4.512 -5.177 2.558 1.00 52.51 H new ATOM 0 HG22 THR A 58 2.901 -5.532 3.225 1.00 52.51 H new ATOM 0 HG23 THR A 58 3.425 -3.844 3.013 1.00 52.51 H new ATOM 976 N LYS A 59 2.161 -6.502 6.203 1.00 2.33 N ATOM 977 CA LYS A 59 1.063 -7.434 6.171 1.00 10.54 C ATOM 978 C LYS A 59 -0.186 -6.903 6.829 1.00 23.14 C ATOM 979 O LYS A 59 -1.262 -7.012 6.255 1.00 23.12 O ATOM 980 CB LYS A 59 1.441 -8.840 6.655 1.00 2.35 C ATOM 981 CG LYS A 59 2.298 -9.623 5.655 1.00 62.12 C ATOM 982 CD LYS A 59 3.689 -9.049 5.463 1.00 20.21 C ATOM 983 CE LYS A 59 4.436 -9.738 4.321 1.00 23.40 C ATOM 984 NZ LYS A 59 4.559 -11.202 4.502 1.00 3.21 N ATOM 0 H LYS A 59 3.002 -6.855 6.660 1.00 2.33 H new ATOM 0 HA LYS A 59 0.817 -7.547 5.115 1.00 10.54 H new ATOM 0 HB2 LYS A 59 1.982 -8.757 7.598 1.00 2.35 H new ATOM 0 HB3 LYS A 59 0.530 -9.402 6.858 1.00 2.35 H new ATOM 0 HG2 LYS A 59 2.384 -10.655 5.994 1.00 62.12 H new ATOM 0 HG3 LYS A 59 1.788 -9.645 4.692 1.00 62.12 H new ATOM 0 HD2 LYS A 59 3.616 -7.981 5.257 1.00 20.21 H new ATOM 0 HD3 LYS A 59 4.257 -9.158 6.387 1.00 20.21 H new ATOM 0 HE2 LYS A 59 3.918 -9.537 3.383 1.00 23.40 H new ATOM 0 HE3 LYS A 59 5.432 -9.305 4.234 1.00 23.40 H new ATOM 0 HZ1 LYS A 59 5.118 -11.602 3.722 1.00 3.21 H new ATOM 0 HZ2 LYS A 59 5.033 -11.401 5.406 1.00 3.21 H new ATOM 0 HZ3 LYS A 59 3.612 -11.632 4.506 1.00 3.21 H new ATOM 998 N ARG A 60 -0.062 -6.283 7.996 1.00 4.33 N ATOM 999 CA ARG A 60 -1.221 -5.699 8.614 1.00 10.31 C ATOM 1000 C ARG A 60 -1.799 -4.582 7.811 1.00 22.01 C ATOM 1001 O ARG A 60 -2.974 -4.560 7.603 1.00 53.25 O ATOM 1002 CB ARG A 60 -1.030 -5.274 10.058 1.00 43.14 C ATOM 1003 CG ARG A 60 -1.255 -6.378 11.068 1.00 43.52 C ATOM 1004 CD ARG A 60 -0.149 -7.420 11.044 1.00 14.23 C ATOM 1005 NE ARG A 60 -0.435 -8.540 11.946 1.00 75.41 N ATOM 1006 CZ ARG A 60 0.478 -9.201 12.670 1.00 40.31 C ATOM 1007 NH1 ARG A 60 1.734 -8.757 12.735 1.00 41.41 N ATOM 1008 NH2 ARG A 60 0.127 -10.288 13.355 1.00 72.10 N ATOM 0 H ARG A 60 0.810 -6.178 8.514 1.00 4.33 H new ATOM 0 HA ARG A 60 -1.939 -6.519 8.636 1.00 10.31 H new ATOM 0 HB2 ARG A 60 -0.018 -4.887 10.180 1.00 43.14 H new ATOM 0 HB3 ARG A 60 -1.713 -4.453 10.276 1.00 43.14 H new ATOM 0 HG2 ARG A 60 -1.321 -5.945 12.066 1.00 43.52 H new ATOM 0 HG3 ARG A 60 -2.211 -6.862 10.866 1.00 43.52 H new ATOM 0 HD2 ARG A 60 -0.025 -7.794 10.028 1.00 14.23 H new ATOM 0 HD3 ARG A 60 0.794 -6.955 11.330 1.00 14.23 H new ATOM 0 HE ARG A 60 -1.406 -8.840 12.029 1.00 75.41 H new ATOM 0 HH11 ARG A 60 2.003 -7.911 12.232 1.00 41.41 H new ATOM 0 HH12 ARG A 60 2.426 -9.263 13.287 1.00 41.41 H new ATOM 0 HH21 ARG A 60 -0.838 -10.618 13.329 1.00 72.10 H new ATOM 0 HH22 ARG A 60 0.823 -10.790 13.906 1.00 72.10 H new ATOM 1022 N PHE A 61 -0.960 -3.687 7.312 1.00 71.44 N ATOM 1023 CA PHE A 61 -1.446 -2.535 6.551 1.00 14.31 C ATOM 1024 C PHE A 61 -2.232 -3.012 5.336 1.00 45.24 C ATOM 1025 O PHE A 61 -3.271 -2.457 4.989 1.00 2.54 O ATOM 1026 CB PHE A 61 -0.281 -1.654 6.106 1.00 61.01 C ATOM 1027 CG PHE A 61 -0.682 -0.304 5.498 1.00 51.23 C ATOM 1028 CD1 PHE A 61 -1.196 0.713 6.306 1.00 44.24 C ATOM 1029 CD2 PHE A 61 -0.523 -0.045 4.144 1.00 62.21 C ATOM 1030 CE1 PHE A 61 -1.542 1.950 5.777 1.00 63.43 C ATOM 1031 CE2 PHE A 61 -0.873 1.194 3.609 1.00 31.51 C ATOM 1032 CZ PHE A 61 -1.381 2.189 4.433 1.00 41.42 C ATOM 0 H PHE A 61 0.054 -3.731 7.416 1.00 71.44 H new ATOM 0 HA PHE A 61 -2.100 -1.945 7.193 1.00 14.31 H new ATOM 0 HB2 PHE A 61 0.365 -1.471 6.965 1.00 61.01 H new ATOM 0 HB3 PHE A 61 0.311 -2.203 5.374 1.00 61.01 H new ATOM 0 HD1 PHE A 61 -1.327 0.534 7.363 1.00 44.24 H new ATOM 0 HD2 PHE A 61 -0.124 -0.812 3.497 1.00 62.21 H new ATOM 0 HE1 PHE A 61 -1.937 2.722 6.420 1.00 63.43 H new ATOM 0 HE2 PHE A 61 -0.749 1.380 2.552 1.00 31.51 H new ATOM 0 HZ PHE A 61 -1.649 3.150 4.019 1.00 41.42 H new ATOM 1042 N ILE A 62 -1.748 -4.066 4.726 1.00 23.40 N ATOM 1043 CA ILE A 62 -2.395 -4.620 3.566 1.00 54.33 C ATOM 1044 C ILE A 62 -3.678 -5.340 3.946 1.00 53.44 C ATOM 1045 O ILE A 62 -4.740 -5.061 3.393 1.00 61.25 O ATOM 1046 CB ILE A 62 -1.474 -5.578 2.790 1.00 74.10 C ATOM 1047 CG1 ILE A 62 -0.155 -4.885 2.453 1.00 54.43 C ATOM 1048 CG2 ILE A 62 -2.161 -6.088 1.539 1.00 35.54 C ATOM 1049 CD1 ILE A 62 -0.314 -3.549 1.785 1.00 2.33 C ATOM 0 H ILE A 62 -0.903 -4.558 5.017 1.00 23.40 H new ATOM 0 HA ILE A 62 -2.636 -3.780 2.914 1.00 54.33 H new ATOM 0 HB ILE A 62 -1.255 -6.439 3.421 1.00 74.10 H new ATOM 0 HG12 ILE A 62 0.418 -4.754 3.371 1.00 54.43 H new ATOM 0 HG13 ILE A 62 0.429 -5.536 1.803 1.00 54.43 H new ATOM 0 HG21 ILE A 62 -1.492 -6.763 1.006 1.00 35.54 H new ATOM 0 HG22 ILE A 62 -3.071 -6.621 1.815 1.00 35.54 H new ATOM 0 HG23 ILE A 62 -2.415 -5.246 0.895 1.00 35.54 H new ATOM 0 HD11 ILE A 62 0.669 -3.125 1.580 1.00 2.33 H new ATOM 0 HD12 ILE A 62 -0.858 -3.673 0.849 1.00 2.33 H new ATOM 0 HD13 ILE A 62 -0.869 -2.878 2.441 1.00 2.33 H new ATOM 1061 N LYS A 63 -3.588 -6.239 4.907 1.00 40.12 N ATOM 1062 CA LYS A 63 -4.770 -7.026 5.321 1.00 24.10 C ATOM 1063 C LYS A 63 -5.842 -6.130 5.922 1.00 63.31 C ATOM 1064 O LYS A 63 -7.044 -6.387 5.776 1.00 35.14 O ATOM 1065 CB LYS A 63 -4.432 -8.184 6.309 1.00 23.32 C ATOM 1066 CG LYS A 63 -3.867 -9.543 5.748 1.00 34.43 C ATOM 1067 CD LYS A 63 -2.505 -9.474 5.030 1.00 1.04 C ATOM 1068 CE LYS A 63 -2.593 -8.947 3.606 1.00 30.12 C ATOM 1069 NZ LYS A 63 -3.354 -9.852 2.725 1.00 60.43 N ATOM 0 H LYS A 63 -2.731 -6.452 5.418 1.00 40.12 H new ATOM 0 HA LYS A 63 -5.149 -7.487 4.409 1.00 24.10 H new ATOM 0 HB2 LYS A 63 -3.706 -7.800 7.026 1.00 23.32 H new ATOM 0 HB3 LYS A 63 -5.340 -8.413 6.866 1.00 23.32 H new ATOM 0 HG2 LYS A 63 -3.781 -10.246 6.577 1.00 34.43 H new ATOM 0 HG3 LYS A 63 -4.599 -9.957 5.054 1.00 34.43 H new ATOM 0 HD2 LYS A 63 -1.833 -8.836 5.604 1.00 1.04 H new ATOM 0 HD3 LYS A 63 -2.062 -10.470 5.013 1.00 1.04 H new ATOM 0 HE2 LYS A 63 -3.066 -7.965 3.612 1.00 30.12 H new ATOM 0 HE3 LYS A 63 -1.588 -8.814 3.207 1.00 30.12 H new ATOM 0 HZ1 LYS A 63 -3.153 -9.619 1.731 1.00 60.43 H new ATOM 0 HZ2 LYS A 63 -3.075 -10.836 2.914 1.00 60.43 H new ATOM 0 HZ3 LYS A 63 -4.372 -9.740 2.908 1.00 60.43 H new ATOM 1083 N TRP A 64 -5.410 -5.072 6.553 1.00 54.42 N ATOM 1084 CA TRP A 64 -6.303 -4.158 7.214 1.00 54.33 C ATOM 1085 C TRP A 64 -6.991 -3.289 6.160 1.00 43.40 C ATOM 1086 O TRP A 64 -8.175 -2.997 6.272 1.00 74.21 O ATOM 1087 CB TRP A 64 -5.520 -3.289 8.199 1.00 72.23 C ATOM 1088 CG TRP A 64 -6.273 -2.867 9.417 1.00 51.33 C ATOM 1089 CD1 TRP A 64 -6.131 -3.405 10.667 1.00 24.54 C ATOM 1090 CD2 TRP A 64 -7.271 -1.836 9.528 1.00 52.14 C ATOM 1091 NE1 TRP A 64 -6.981 -2.776 11.543 1.00 2.14 N ATOM 1092 CE2 TRP A 64 -7.692 -1.813 10.872 1.00 25.41 C ATOM 1093 CE3 TRP A 64 -7.850 -0.934 8.628 1.00 31.40 C ATOM 1094 CZ2 TRP A 64 -8.663 -0.926 11.336 1.00 5.04 C ATOM 1095 CZ3 TRP A 64 -8.813 -0.057 9.088 1.00 61.02 C ATOM 1096 CH2 TRP A 64 -9.209 -0.057 10.429 1.00 3.30 C ATOM 0 H TRP A 64 -4.425 -4.818 6.624 1.00 54.42 H new ATOM 0 HA TRP A 64 -7.058 -4.712 7.772 1.00 54.33 H new ATOM 0 HB2 TRP A 64 -4.631 -3.836 8.513 1.00 72.23 H new ATOM 0 HB3 TRP A 64 -5.177 -2.396 7.677 1.00 72.23 H new ATOM 0 HD1 TRP A 64 -5.452 -4.204 10.926 1.00 24.54 H new ATOM 0 HE1 TRP A 64 -7.070 -2.991 12.536 1.00 2.14 H new ATOM 0 HE3 TRP A 64 -7.549 -0.924 7.591 1.00 31.40 H new ATOM 0 HZ2 TRP A 64 -8.973 -0.924 12.371 1.00 5.04 H new ATOM 0 HZ3 TRP A 64 -9.268 0.641 8.400 1.00 61.02 H new ATOM 0 HH2 TRP A 64 -9.962 0.644 10.757 1.00 3.30 H new ATOM 1107 N TYR A 65 -6.246 -2.895 5.102 1.00 45.44 N ATOM 1108 CA TYR A 65 -6.836 -2.096 4.024 1.00 64.03 C ATOM 1109 C TYR A 65 -7.933 -2.883 3.321 1.00 13.43 C ATOM 1110 O TYR A 65 -8.951 -2.329 2.916 1.00 43.24 O ATOM 1111 CB TYR A 65 -5.793 -1.584 3.014 1.00 14.43 C ATOM 1112 CG TYR A 65 -6.402 -0.687 1.940 1.00 21.43 C ATOM 1113 CD1 TYR A 65 -6.924 0.555 2.271 1.00 23.13 C ATOM 1114 CD2 TYR A 65 -6.460 -1.081 0.607 1.00 24.41 C ATOM 1115 CE1 TYR A 65 -7.488 1.370 1.310 1.00 44.20 C ATOM 1116 CE2 TYR A 65 -7.020 -0.260 -0.358 1.00 5.14 C ATOM 1117 CZ TYR A 65 -7.532 0.958 0.003 1.00 65.02 C ATOM 1118 OH TYR A 65 -8.096 1.773 -0.951 1.00 53.14 O ATOM 0 H TYR A 65 -5.258 -3.115 4.980 1.00 45.44 H new ATOM 0 HA TYR A 65 -7.272 -1.211 4.488 1.00 64.03 H new ATOM 0 HB2 TYR A 65 -5.019 -1.032 3.546 1.00 14.43 H new ATOM 0 HB3 TYR A 65 -5.307 -2.435 2.537 1.00 14.43 H new ATOM 0 HD1 TYR A 65 -6.889 0.890 3.297 1.00 23.13 H new ATOM 0 HD2 TYR A 65 -6.062 -2.043 0.320 1.00 24.41 H new ATOM 0 HE1 TYR A 65 -7.894 2.331 1.588 1.00 44.20 H new ATOM 0 HE2 TYR A 65 -7.053 -0.579 -1.389 1.00 5.14 H new ATOM 0 HH TYR A 65 -7.988 2.710 -0.686 1.00 53.14 H new ATOM 1128 N ASN A 66 -7.725 -4.175 3.188 1.00 13.14 N ATOM 1129 CA ASN A 66 -8.737 -5.045 2.602 1.00 13.31 C ATOM 1130 C ASN A 66 -10.007 -5.076 3.453 1.00 4.33 C ATOM 1131 O ASN A 66 -11.109 -5.160 2.920 1.00 72.25 O ATOM 1132 CB ASN A 66 -8.207 -6.458 2.323 1.00 34.45 C ATOM 1133 CG ASN A 66 -7.255 -6.521 1.131 1.00 41.23 C ATOM 1134 OD1 ASN A 66 -7.678 -6.710 0.004 1.00 2.50 O ATOM 1135 ND2 ASN A 66 -5.982 -6.362 1.364 1.00 31.12 N ATOM 0 H ASN A 66 -6.869 -4.651 3.475 1.00 13.14 H new ATOM 0 HA ASN A 66 -8.997 -4.616 1.634 1.00 13.31 H new ATOM 0 HB2 ASN A 66 -7.692 -6.827 3.210 1.00 34.45 H new ATOM 0 HB3 ASN A 66 -9.049 -7.126 2.142 1.00 34.45 H new ATOM 0 HD21 ASN A 66 -5.315 -6.394 0.593 1.00 31.12 H new ATOM 0 HD22 ASN A 66 -5.654 -6.205 2.317 1.00 31.12 H new ATOM 1142 N ALA A 67 -9.848 -4.973 4.769 1.00 30.00 N ATOM 1143 CA ALA A 67 -10.989 -4.910 5.679 1.00 21.12 C ATOM 1144 C ALA A 67 -11.646 -3.535 5.567 1.00 12.44 C ATOM 1145 O ALA A 67 -12.868 -3.410 5.557 1.00 64.53 O ATOM 1146 CB ALA A 67 -10.548 -5.175 7.110 1.00 3.25 C ATOM 0 H ALA A 67 -8.939 -4.931 5.230 1.00 30.00 H new ATOM 0 HA ALA A 67 -11.711 -5.679 5.403 1.00 21.12 H new ATOM 0 HB1 ALA A 67 -11.412 -5.124 7.772 1.00 3.25 H new ATOM 0 HB2 ALA A 67 -10.099 -6.166 7.175 1.00 3.25 H new ATOM 0 HB3 ALA A 67 -9.816 -4.425 7.410 1.00 3.25 H new ATOM 1152 N TRP A 68 -10.807 -2.513 5.463 1.00 33.52 N ATOM 1153 CA TRP A 68 -11.227 -1.125 5.266 1.00 74.42 C ATOM 1154 C TRP A 68 -12.087 -0.994 4.001 1.00 54.33 C ATOM 1155 O TRP A 68 -13.099 -0.289 3.992 1.00 0.32 O ATOM 1156 CB TRP A 68 -9.972 -0.232 5.194 1.00 35.24 C ATOM 1157 CG TRP A 68 -10.199 1.199 4.803 1.00 2.33 C ATOM 1158 CD1 TRP A 68 -9.921 1.753 3.592 1.00 74.21 C ATOM 1159 CD2 TRP A 68 -10.745 2.255 5.606 1.00 13.11 C ATOM 1160 NE1 TRP A 68 -10.240 3.078 3.591 1.00 22.10 N ATOM 1161 CE2 TRP A 68 -10.748 3.415 4.805 1.00 3.33 C ATOM 1162 CE3 TRP A 68 -11.226 2.341 6.913 1.00 23.54 C ATOM 1163 CZ2 TRP A 68 -11.212 4.634 5.261 1.00 20.01 C ATOM 1164 CZ3 TRP A 68 -11.687 3.563 7.362 1.00 41.43 C ATOM 1165 CH2 TRP A 68 -11.673 4.694 6.532 1.00 54.42 C ATOM 0 H TRP A 68 -9.794 -2.624 5.514 1.00 33.52 H new ATOM 0 HA TRP A 68 -11.843 -0.801 6.105 1.00 74.42 H new ATOM 0 HB2 TRP A 68 -9.484 -0.248 6.169 1.00 35.24 H new ATOM 0 HB3 TRP A 68 -9.276 -0.676 4.482 1.00 35.24 H new ATOM 0 HD1 TRP A 68 -9.506 1.218 2.750 1.00 74.21 H new ATOM 0 HE1 TRP A 68 -10.117 3.715 2.804 1.00 22.10 H new ATOM 0 HE3 TRP A 68 -11.238 1.474 7.557 1.00 23.54 H new ATOM 0 HZ2 TRP A 68 -11.207 5.508 4.626 1.00 20.01 H new ATOM 0 HZ3 TRP A 68 -12.065 3.649 8.370 1.00 41.43 H new ATOM 0 HH2 TRP A 68 -12.039 5.635 6.916 1.00 54.42 H new ATOM 1176 N ASN A 69 -11.687 -1.702 2.953 1.00 32.22 N ATOM 1177 CA ASN A 69 -12.430 -1.733 1.686 1.00 14.10 C ATOM 1178 C ASN A 69 -13.854 -2.233 1.910 1.00 64.43 C ATOM 1179 O ASN A 69 -14.815 -1.686 1.358 1.00 3.23 O ATOM 1180 CB ASN A 69 -11.713 -2.630 0.648 1.00 22.32 C ATOM 1181 CG ASN A 69 -12.450 -2.710 -0.698 1.00 3.40 C ATOM 1182 OD1 ASN A 69 -12.219 -1.891 -1.593 1.00 10.33 O ATOM 1183 ND2 ASN A 69 -13.311 -3.696 -0.861 1.00 52.31 N ATOM 0 H ASN A 69 -10.841 -2.272 2.950 1.00 32.22 H new ATOM 0 HA ASN A 69 -12.471 -0.716 1.297 1.00 14.10 H new ATOM 0 HB2 ASN A 69 -10.706 -2.247 0.481 1.00 22.32 H new ATOM 0 HB3 ASN A 69 -11.608 -3.635 1.057 1.00 22.32 H new ATOM 0 HD21 ASN A 69 -13.808 -3.798 -1.746 1.00 52.31 H new ATOM 0 HD22 ASN A 69 -13.480 -4.356 -0.102 1.00 52.31 H new ATOM 1190 N GLU A 70 -13.984 -3.248 2.744 1.00 72.42 N ATOM 1191 CA GLU A 70 -15.275 -3.841 3.040 1.00 71.32 C ATOM 1192 C GLU A 70 -16.080 -2.908 3.949 1.00 32.34 C ATOM 1193 O GLU A 70 -17.286 -2.745 3.787 1.00 11.35 O ATOM 1194 CB GLU A 70 -15.087 -5.196 3.735 1.00 12.31 C ATOM 1195 CG GLU A 70 -14.190 -6.177 2.986 1.00 62.00 C ATOM 1196 CD GLU A 70 -14.678 -6.506 1.600 1.00 4.44 C ATOM 1197 OE1 GLU A 70 -15.464 -7.453 1.449 1.00 72.43 O ATOM 1198 OE2 GLU A 70 -14.272 -5.828 0.626 1.00 50.42 O ATOM 0 H GLU A 70 -13.202 -3.683 3.233 1.00 72.42 H new ATOM 0 HA GLU A 70 -15.815 -3.991 2.105 1.00 71.32 H new ATOM 0 HB2 GLU A 70 -14.668 -5.025 4.727 1.00 12.31 H new ATOM 0 HB3 GLU A 70 -16.065 -5.655 3.877 1.00 12.31 H new ATOM 0 HG2 GLU A 70 -13.186 -5.759 2.918 1.00 62.00 H new ATOM 0 HG3 GLU A 70 -14.113 -7.099 3.563 1.00 62.00 H new ATOM 1205 N LYS A 71 -15.377 -2.273 4.883 1.00 21.12 N ATOM 1206 CA LYS A 71 -15.960 -1.383 5.875 1.00 54.25 C ATOM 1207 C LYS A 71 -16.539 -0.109 5.223 1.00 65.14 C ATOM 1208 O LYS A 71 -17.470 0.507 5.745 1.00 12.03 O ATOM 1209 CB LYS A 71 -14.882 -1.028 6.913 1.00 71.43 C ATOM 1210 CG LYS A 71 -15.360 -0.174 8.080 1.00 44.01 C ATOM 1211 CD LYS A 71 -16.427 -0.880 8.928 1.00 13.40 C ATOM 1212 CE LYS A 71 -15.887 -2.151 9.582 1.00 33.40 C ATOM 1213 NZ LYS A 71 -16.923 -2.853 10.371 1.00 32.11 N ATOM 0 H LYS A 71 -14.365 -2.367 4.971 1.00 21.12 H new ATOM 0 HA LYS A 71 -16.790 -1.891 6.366 1.00 54.25 H new ATOM 0 HB2 LYS A 71 -14.463 -1.953 7.309 1.00 71.43 H new ATOM 0 HB3 LYS A 71 -14.072 -0.502 6.407 1.00 71.43 H new ATOM 0 HG2 LYS A 71 -14.509 0.081 8.712 1.00 44.01 H new ATOM 0 HG3 LYS A 71 -15.766 0.763 7.698 1.00 44.01 H new ATOM 0 HD2 LYS A 71 -16.786 -0.199 9.700 1.00 13.40 H new ATOM 0 HD3 LYS A 71 -17.282 -1.130 8.300 1.00 13.40 H new ATOM 0 HE2 LYS A 71 -15.503 -2.820 8.812 1.00 33.40 H new ATOM 0 HE3 LYS A 71 -15.048 -1.897 10.230 1.00 33.40 H new ATOM 0 HZ1 LYS A 71 -16.514 -3.709 10.797 1.00 32.11 H new ATOM 0 HZ2 LYS A 71 -17.272 -2.225 11.123 1.00 32.11 H new ATOM 0 HZ3 LYS A 71 -17.712 -3.119 9.748 1.00 32.11 H new ATOM 1227 N ARG A 72 -15.984 0.281 4.092 1.00 31.21 N ATOM 1228 CA ARG A 72 -16.482 1.445 3.361 1.00 23.20 C ATOM 1229 C ARG A 72 -17.710 1.090 2.549 1.00 54.22 C ATOM 1230 O ARG A 72 -18.426 1.969 2.080 1.00 24.14 O ATOM 1231 CB ARG A 72 -15.411 2.027 2.448 1.00 70.31 C ATOM 1232 CG ARG A 72 -14.205 2.589 3.168 1.00 5.34 C ATOM 1233 CD ARG A 72 -13.165 3.080 2.180 1.00 21.15 C ATOM 1234 NE ARG A 72 -13.662 4.160 1.315 1.00 54.23 N ATOM 1235 CZ ARG A 72 -13.673 4.133 -0.026 1.00 45.01 C ATOM 1236 NH1 ARG A 72 -13.374 3.019 -0.680 1.00 53.31 N ATOM 1237 NH2 ARG A 72 -14.026 5.215 -0.707 1.00 23.12 N ATOM 0 H ARG A 72 -15.189 -0.186 3.655 1.00 31.21 H new ATOM 0 HA ARG A 72 -16.753 2.199 4.100 1.00 23.20 H new ATOM 0 HB2 ARG A 72 -15.077 1.250 1.760 1.00 70.31 H new ATOM 0 HB3 ARG A 72 -15.857 2.817 1.844 1.00 70.31 H new ATOM 0 HG2 ARG A 72 -14.513 3.410 3.816 1.00 5.34 H new ATOM 0 HG3 ARG A 72 -13.770 1.823 3.810 1.00 5.34 H new ATOM 0 HD2 ARG A 72 -12.290 3.433 2.726 1.00 21.15 H new ATOM 0 HD3 ARG A 72 -12.838 2.246 1.559 1.00 21.15 H new ATOM 0 HE ARG A 72 -14.027 4.996 1.771 1.00 54.23 H new ATOM 0 HH11 ARG A 72 -13.133 2.173 -0.163 1.00 53.31 H new ATOM 0 HH12 ARG A 72 -13.385 3.008 -1.700 1.00 53.31 H new ATOM 0 HH21 ARG A 72 -14.289 6.067 -0.211 1.00 23.12 H new ATOM 0 HH22 ARG A 72 -14.035 5.195 -1.727 1.00 23.12 H new ATOM 1251 N ARG A 73 -17.943 -0.188 2.378 1.00 10.44 N ATOM 1252 CA ARG A 73 -19.077 -0.651 1.618 1.00 33.11 C ATOM 1253 C ARG A 73 -20.206 -0.992 2.576 1.00 24.02 C ATOM 1254 O ARG A 73 -21.322 -0.489 2.455 1.00 31.35 O ATOM 1255 CB ARG A 73 -18.686 -1.869 0.793 1.00 60.41 C ATOM 1256 CG ARG A 73 -19.769 -2.364 -0.151 1.00 2.21 C ATOM 1257 CD ARG A 73 -19.310 -3.608 -0.886 1.00 43.32 C ATOM 1258 NE ARG A 73 -19.105 -4.740 0.028 1.00 42.14 N ATOM 1259 CZ ARG A 73 -17.934 -5.343 0.279 1.00 1.00 C ATOM 1260 NH1 ARG A 73 -16.796 -4.854 -0.228 1.00 15.25 N ATOM 1261 NH2 ARG A 73 -17.901 -6.420 1.054 1.00 11.20 N ATOM 0 H ARG A 73 -17.357 -0.931 2.758 1.00 10.44 H new ATOM 0 HA ARG A 73 -19.411 0.130 0.935 1.00 33.11 H new ATOM 0 HB2 ARG A 73 -17.797 -1.628 0.211 1.00 60.41 H new ATOM 0 HB3 ARG A 73 -18.414 -2.679 1.470 1.00 60.41 H new ATOM 0 HG2 ARG A 73 -20.677 -2.582 0.411 1.00 2.21 H new ATOM 0 HG3 ARG A 73 -20.018 -1.582 -0.869 1.00 2.21 H new ATOM 0 HD2 ARG A 73 -20.050 -3.879 -1.639 1.00 43.32 H new ATOM 0 HD3 ARG A 73 -18.381 -3.395 -1.415 1.00 43.32 H new ATOM 0 HE ARG A 73 -19.926 -5.099 0.515 1.00 42.14 H new ATOM 0 HH11 ARG A 73 -16.815 -4.017 -0.810 1.00 15.25 H new ATOM 0 HH12 ARG A 73 -15.909 -5.319 -0.032 1.00 15.25 H new ATOM 0 HH21 ARG A 73 -18.764 -6.786 1.456 1.00 11.20 H new ATOM 0 HH22 ARG A 73 -17.012 -6.882 1.248 1.00 11.20 H new