USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 79 THR OG1 : rot 180:sc= 0.00983 USER MOD Set 1.2: A 80 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -2.25 K(o=-2.9,f=-3.5) USER MOD Set 2.2: A 66 THR OG1 : rot 129:sc= -0.617 USER MOD Set 3.1: A 39 SER OG : rot 120:sc= -0.0418 USER MOD Set 3.2: A 42 SER OG : rot 180:sc=-0.00352 USER MOD Set 4.1: A 26 SER OG : rot -89:sc= 0.367 USER MOD Set 4.2: A 30 SER OG : rot -49:sc= 1.14 USER MOD Single : A 12 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.036) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 51:sc= 0.136 USER MOD Single : A 24 THR OG1 : rot 69:sc= 0.477 USER MOD Single : A 27 ASN : amide:sc= -0.826 X(o=-0.83,f=-0.97) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0.0779 (180deg=-0.377) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.0836 (180deg=-0.0836) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.605) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 35:sc= -7.32! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 38:sc= -0.555 USER MOD Single : A 69 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 83 THR OG1 : rot 123:sc= 1.54 USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00459) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= -0.0656 (180deg=-1.34) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 76:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 12.080 11.012 -8.861 1.00 73.21 N ATOM 169 CA HIS A 12 11.202 11.009 -7.696 1.00 42.50 C ATOM 170 C HIS A 12 11.540 12.166 -6.759 1.00 73.53 C ATOM 171 O HIS A 12 12.527 12.116 -6.026 1.00 45.03 O ATOM 172 CB HIS A 12 11.317 9.681 -6.948 1.00 12.24 C ATOM 173 CG HIS A 12 10.124 9.368 -6.097 1.00 64.02 C ATOM 174 ND1 HIS A 12 9.611 8.095 -5.960 1.00 2.50 N ATOM 175 CD2 HIS A 12 9.344 10.171 -5.336 1.00 64.31 C ATOM 176 CE1 HIS A 12 8.566 8.129 -5.153 1.00 0.33 C ATOM 177 NE2 HIS A 12 8.383 9.377 -4.760 1.00 2.12 N ATOM 0 HA HIS A 12 10.176 11.133 -8.044 1.00 42.50 H new ATOM 0 HB2 HIS A 12 11.459 8.877 -7.671 1.00 12.24 H new ATOM 0 HB3 HIS A 12 12.206 9.704 -6.318 1.00 12.24 H new ATOM 0 HD2 HIS A 12 9.456 11.237 -5.206 1.00 64.31 H new ATOM 0 HE1 HIS A 12 7.963 7.281 -4.864 1.00 0.33 H new ATOM 0 HE2 HIS A 12 7.647 9.699 -4.131 1.00 2.12 H new ATOM 185 N VAL A 13 10.713 13.206 -6.789 1.00 51.04 N ATOM 186 CA VAL A 13 10.923 14.374 -5.943 1.00 44.51 C ATOM 187 C VAL A 13 9.791 14.534 -4.935 1.00 21.12 C ATOM 188 O VAL A 13 8.630 14.264 -5.243 1.00 31.24 O ATOM 189 CB VAL A 13 11.035 15.662 -6.781 1.00 72.13 C ATOM 190 CG1 VAL A 13 9.709 15.975 -7.458 1.00 61.23 C ATOM 191 CG2 VAL A 13 11.487 16.826 -5.912 1.00 73.40 C ATOM 0 H VAL A 13 9.891 13.263 -7.390 1.00 51.04 H new ATOM 0 HA VAL A 13 11.860 14.213 -5.410 1.00 44.51 H new ATOM 0 HB VAL A 13 11.784 15.506 -7.557 1.00 72.13 H new ATOM 0 HG11 VAL A 13 9.807 16.888 -8.045 1.00 61.23 H new ATOM 0 HG12 VAL A 13 9.431 15.150 -8.114 1.00 61.23 H new ATOM 0 HG13 VAL A 13 8.937 16.112 -6.701 1.00 61.23 H new ATOM 0 HG21 VAL A 13 11.561 17.727 -6.521 1.00 73.40 H new ATOM 0 HG22 VAL A 13 10.763 16.986 -5.113 1.00 73.40 H new ATOM 0 HG23 VAL A 13 12.461 16.600 -5.479 1.00 73.40 H new ATOM 201 N ILE A 14 10.137 14.974 -3.730 1.00 0.41 N ATOM 202 CA ILE A 14 9.149 15.171 -2.676 1.00 40.45 C ATOM 203 C ILE A 14 9.092 16.632 -2.243 1.00 14.30 C ATOM 204 O ILE A 14 9.851 17.468 -2.734 1.00 70.20 O ATOM 205 CB ILE A 14 9.454 14.295 -1.448 1.00 31.44 C ATOM 206 CG1 ILE A 14 10.847 14.612 -0.900 1.00 60.14 C ATOM 207 CG2 ILE A 14 9.344 12.821 -1.808 1.00 75.31 C ATOM 208 CD1 ILE A 14 10.824 15.393 0.395 1.00 50.12 C ATOM 0 H ILE A 14 11.094 15.201 -3.459 1.00 0.41 H new ATOM 0 HA ILE A 14 8.184 14.879 -3.089 1.00 40.45 H new ATOM 0 HB ILE A 14 8.720 14.516 -0.673 1.00 31.44 H new ATOM 0 HG12 ILE A 14 11.387 13.679 -0.742 1.00 60.14 H new ATOM 0 HG13 ILE A 14 11.402 15.179 -1.647 1.00 60.14 H new ATOM 0 HG21 ILE A 14 9.563 12.215 -0.929 1.00 75.31 H new ATOM 0 HG22 ILE A 14 8.333 12.606 -2.155 1.00 75.31 H new ATOM 0 HG23 ILE A 14 10.057 12.585 -2.598 1.00 75.31 H new ATOM 0 HD11 ILE A 14 11.846 15.582 0.724 1.00 50.12 H new ATOM 0 HD12 ILE A 14 10.312 16.342 0.238 1.00 50.12 H new ATOM 0 HD13 ILE A 14 10.297 14.818 1.157 1.00 50.12 H new ATOM 220 N LYS A 15 8.187 16.934 -1.318 1.00 13.00 N ATOM 221 CA LYS A 15 8.031 18.293 -0.814 1.00 53.42 C ATOM 222 C LYS A 15 7.198 18.308 0.464 1.00 72.14 C ATOM 223 O LYS A 15 6.511 19.286 0.757 1.00 2.41 O ATOM 224 CB LYS A 15 7.373 19.180 -1.874 1.00 61.23 C ATOM 225 CG LYS A 15 7.846 20.623 -1.839 1.00 33.11 C ATOM 226 CD LYS A 15 7.765 21.270 -3.211 1.00 61.13 C ATOM 227 CE LYS A 15 9.111 21.244 -3.920 1.00 32.23 C ATOM 228 NZ LYS A 15 9.559 22.609 -4.309 1.00 41.43 N ATOM 0 H LYS A 15 7.550 16.255 -0.902 1.00 13.00 H new ATOM 0 HA LYS A 15 9.022 18.684 -0.585 1.00 53.42 H new ATOM 0 HB2 LYS A 15 7.576 18.764 -2.861 1.00 61.23 H new ATOM 0 HB3 LYS A 15 6.292 19.157 -1.735 1.00 61.23 H new ATOM 0 HG2 LYS A 15 7.239 21.189 -1.133 1.00 33.11 H new ATOM 0 HG3 LYS A 15 8.874 20.661 -1.478 1.00 33.11 H new ATOM 0 HD2 LYS A 15 7.023 20.749 -3.817 1.00 61.13 H new ATOM 0 HD3 LYS A 15 7.426 22.301 -3.109 1.00 61.13 H new ATOM 0 HE2 LYS A 15 9.856 20.789 -3.268 1.00 32.23 H new ATOM 0 HE3 LYS A 15 9.041 20.618 -4.809 1.00 32.23 H new ATOM 0 HZ1 LYS A 15 10.480 22.549 -4.789 1.00 41.43 H new ATOM 0 HZ2 LYS A 15 8.860 23.034 -4.952 1.00 41.43 H new ATOM 0 HZ3 LYS A 15 9.651 23.200 -3.458 1.00 41.43 H new ATOM 242 N SER A 16 7.265 17.217 1.221 1.00 54.35 N ATOM 243 CA SER A 16 6.515 17.104 2.466 1.00 13.20 C ATOM 244 C SER A 16 6.989 15.904 3.279 1.00 64.51 C ATOM 245 O SER A 16 7.625 14.991 2.748 1.00 54.40 O ATOM 246 CB SER A 16 5.018 16.978 2.175 1.00 30.11 C ATOM 247 OG SER A 16 4.333 18.176 2.498 1.00 71.31 O ATOM 0 H SER A 16 7.831 16.399 0.994 1.00 54.35 H new ATOM 0 HA SER A 16 6.690 18.008 3.050 1.00 13.20 H new ATOM 0 HB2 SER A 16 4.868 16.742 1.121 1.00 30.11 H new ATOM 0 HB3 SER A 16 4.601 16.151 2.749 1.00 30.11 H new ATOM 0 HG SER A 16 4.788 18.936 2.080 1.00 71.31 H new ATOM 253 N LEU A 17 6.677 15.911 4.570 1.00 71.40 N ATOM 254 CA LEU A 17 7.071 14.823 5.458 1.00 32.54 C ATOM 255 C LEU A 17 6.310 13.544 5.123 1.00 21.45 C ATOM 256 O LEU A 17 6.912 12.496 4.890 1.00 33.11 O ATOM 257 CB LEU A 17 6.820 15.212 6.916 1.00 33.12 C ATOM 258 CG LEU A 17 7.846 14.708 7.932 1.00 74.22 C ATOM 259 CD1 LEU A 17 9.217 15.297 7.642 1.00 25.31 C ATOM 260 CD2 LEU A 17 7.405 15.048 9.348 1.00 24.13 C ATOM 0 H LEU A 17 6.152 16.658 5.025 1.00 71.40 H new ATOM 0 HA LEU A 17 8.136 14.638 5.316 1.00 32.54 H new ATOM 0 HB2 LEU A 17 6.780 16.299 6.979 1.00 33.12 H new ATOM 0 HB3 LEU A 17 5.838 14.839 7.206 1.00 33.12 H new ATOM 0 HG LEU A 17 7.914 13.624 7.845 1.00 74.22 H new ATOM 0 HD11 LEU A 17 9.934 14.927 8.375 1.00 25.31 H new ATOM 0 HD12 LEU A 17 9.535 15.002 6.642 1.00 25.31 H new ATOM 0 HD13 LEU A 17 9.166 16.384 7.701 1.00 25.31 H new ATOM 0 HD21 LEU A 17 8.147 14.682 10.058 1.00 24.13 H new ATOM 0 HD22 LEU A 17 7.308 16.129 9.449 1.00 24.13 H new ATOM 0 HD23 LEU A 17 6.444 14.577 9.553 1.00 24.13 H new ATOM 272 N GLU A 18 4.984 13.639 5.100 1.00 63.41 N ATOM 273 CA GLU A 18 4.142 12.489 4.792 1.00 61.31 C ATOM 274 C GLU A 18 4.580 11.827 3.488 1.00 10.32 C ATOM 275 O GLU A 18 4.741 10.609 3.422 1.00 10.25 O ATOM 276 CB GLU A 18 2.676 12.914 4.693 1.00 13.41 C ATOM 277 CG GLU A 18 1.696 11.814 5.064 1.00 61.32 C ATOM 278 CD GLU A 18 0.531 11.720 4.098 1.00 52.11 C ATOM 279 OE1 GLU A 18 0.165 12.759 3.509 1.00 72.34 O ATOM 280 OE2 GLU A 18 -0.015 10.609 3.932 1.00 41.55 O ATOM 0 H GLU A 18 4.470 14.499 5.291 1.00 63.41 H new ATOM 0 HA GLU A 18 4.250 11.766 5.601 1.00 61.31 H new ATOM 0 HB2 GLU A 18 2.510 13.771 5.345 1.00 13.41 H new ATOM 0 HB3 GLU A 18 2.470 13.244 3.675 1.00 13.41 H new ATOM 0 HG2 GLU A 18 2.220 10.859 5.089 1.00 61.32 H new ATOM 0 HG3 GLU A 18 1.316 11.995 6.069 1.00 61.32 H new ATOM 287 N GLU A 19 4.770 12.640 2.454 1.00 40.23 N ATOM 288 CA GLU A 19 5.188 12.134 1.152 1.00 73.33 C ATOM 289 C GLU A 19 6.404 11.222 1.287 1.00 34.42 C ATOM 290 O GLU A 19 6.532 10.229 0.570 1.00 63.33 O ATOM 291 CB GLU A 19 5.510 13.294 0.208 1.00 75.05 C ATOM 292 CG GLU A 19 5.409 12.927 -1.264 1.00 5.34 C ATOM 293 CD GLU A 19 5.005 14.103 -2.132 1.00 35.24 C ATOM 294 OE1 GLU A 19 5.515 15.218 -1.895 1.00 34.04 O ATOM 295 OE2 GLU A 19 4.178 13.908 -3.047 1.00 50.21 O ATOM 0 H GLU A 19 4.641 13.651 2.492 1.00 40.23 H new ATOM 0 HA GLU A 19 4.364 11.554 0.736 1.00 73.33 H new ATOM 0 HB2 GLU A 19 4.830 14.120 0.415 1.00 75.05 H new ATOM 0 HB3 GLU A 19 6.518 13.652 0.416 1.00 75.05 H new ATOM 0 HG2 GLU A 19 6.370 12.541 -1.605 1.00 5.34 H new ATOM 0 HG3 GLU A 19 4.682 12.124 -1.385 1.00 5.34 H new ATOM 302 N LEU A 20 7.294 11.566 2.211 1.00 34.25 N ATOM 303 CA LEU A 20 8.500 10.779 2.442 1.00 4.20 C ATOM 304 C LEU A 20 8.158 9.423 3.050 1.00 23.30 C ATOM 305 O LEU A 20 8.379 8.381 2.432 1.00 5.03 O ATOM 306 CB LEU A 20 9.458 11.537 3.363 1.00 24.30 C ATOM 307 CG LEU A 20 10.949 11.365 3.068 1.00 10.24 C ATOM 308 CD1 LEU A 20 11.364 12.235 1.892 1.00 3.44 C ATOM 309 CD2 LEU A 20 11.778 11.699 4.300 1.00 30.21 C ATOM 0 H LEU A 20 7.203 12.385 2.812 1.00 34.25 H new ATOM 0 HA LEU A 20 8.985 10.612 1.480 1.00 4.20 H new ATOM 0 HB2 LEU A 20 9.218 12.599 3.310 1.00 24.30 H new ATOM 0 HB3 LEU A 20 9.272 11.219 4.389 1.00 24.30 H new ATOM 0 HG LEU A 20 11.130 10.323 2.804 1.00 10.24 H new ATOM 0 HD11 LEU A 20 12.428 12.100 1.697 1.00 3.44 H new ATOM 0 HD12 LEU A 20 10.794 11.949 1.008 1.00 3.44 H new ATOM 0 HD13 LEU A 20 11.169 13.281 2.127 1.00 3.44 H new ATOM 0 HD21 LEU A 20 12.836 11.571 4.072 1.00 30.21 H new ATOM 0 HD22 LEU A 20 11.592 12.732 4.594 1.00 30.21 H new ATOM 0 HD23 LEU A 20 11.500 11.033 5.117 1.00 30.21 H new ATOM 321 N ARG A 21 7.616 9.444 4.263 1.00 21.42 N ATOM 322 CA ARG A 21 7.242 8.215 4.954 1.00 3.52 C ATOM 323 C ARG A 21 6.338 7.353 4.079 1.00 15.00 C ATOM 324 O ARG A 21 6.324 6.129 4.201 1.00 24.33 O ATOM 325 CB ARG A 21 6.536 8.541 6.271 1.00 11.15 C ATOM 326 CG ARG A 21 6.629 7.429 7.304 1.00 42.24 C ATOM 327 CD ARG A 21 6.512 7.972 8.719 1.00 12.13 C ATOM 328 NE ARG A 21 7.674 8.771 9.097 1.00 4.02 N ATOM 329 CZ ARG A 21 7.879 9.236 10.325 1.00 51.24 C ATOM 330 NH1 ARG A 21 7.003 8.983 11.288 1.00 64.15 N ATOM 331 NH2 ARG A 21 8.961 9.956 10.591 1.00 43.02 N ATOM 0 H ARG A 21 7.426 10.298 4.788 1.00 21.42 H new ATOM 0 HA ARG A 21 8.153 7.655 5.167 1.00 3.52 H new ATOM 0 HB2 ARG A 21 6.967 9.451 6.689 1.00 11.15 H new ATOM 0 HB3 ARG A 21 5.486 8.750 6.068 1.00 11.15 H new ATOM 0 HG2 ARG A 21 5.839 6.699 7.127 1.00 42.24 H new ATOM 0 HG3 ARG A 21 7.578 6.905 7.192 1.00 42.24 H new ATOM 0 HD2 ARG A 21 5.612 8.581 8.800 1.00 12.13 H new ATOM 0 HD3 ARG A 21 6.400 7.143 9.417 1.00 12.13 H new ATOM 0 HE ARG A 21 8.367 8.984 8.379 1.00 4.02 H new ATOM 0 HH11 ARG A 21 6.170 8.430 11.087 1.00 64.15 H new ATOM 0 HH12 ARG A 21 7.163 9.341 12.230 1.00 64.15 H new ATOM 0 HH21 ARG A 21 9.637 10.153 9.853 1.00 43.02 H new ATOM 0 HH22 ARG A 21 9.117 10.312 11.534 1.00 43.02 H new ATOM 345 N GLU A 22 5.583 8.001 3.197 1.00 12.34 N ATOM 346 CA GLU A 22 4.674 7.293 2.303 1.00 24.14 C ATOM 347 C GLU A 22 5.428 6.710 1.111 1.00 4.34 C ATOM 348 O GLU A 22 5.059 5.663 0.581 1.00 14.22 O ATOM 349 CB GLU A 22 3.570 8.232 1.813 1.00 45.21 C ATOM 350 CG GLU A 22 2.494 8.500 2.851 1.00 54.03 C ATOM 351 CD GLU A 22 1.268 7.627 2.659 1.00 44.43 C ATOM 352 OE1 GLU A 22 0.306 8.092 2.013 1.00 74.43 O ATOM 353 OE2 GLU A 22 1.272 6.481 3.154 1.00 0.33 O ATOM 0 H GLU A 22 5.583 9.015 3.083 1.00 12.34 H new ATOM 0 HA GLU A 22 4.222 6.473 2.861 1.00 24.14 H new ATOM 0 HB2 GLU A 22 4.017 9.180 1.513 1.00 45.21 H new ATOM 0 HB3 GLU A 22 3.107 7.802 0.925 1.00 45.21 H new ATOM 0 HG2 GLU A 22 2.904 8.330 3.846 1.00 54.03 H new ATOM 0 HG3 GLU A 22 2.200 9.549 2.802 1.00 54.03 H new ATOM 360 N ALA A 23 6.487 7.397 0.696 1.00 43.35 N ATOM 361 CA ALA A 23 7.294 6.948 -0.432 1.00 45.31 C ATOM 362 C ALA A 23 8.173 5.764 -0.042 1.00 15.33 C ATOM 363 O ALA A 23 8.588 4.978 -0.894 1.00 22.04 O ATOM 364 CB ALA A 23 8.150 8.092 -0.957 1.00 72.33 C ATOM 0 H ALA A 23 6.806 8.266 1.124 1.00 43.35 H new ATOM 0 HA ALA A 23 6.618 6.621 -1.222 1.00 45.31 H new ATOM 0 HB1 ALA A 23 8.747 7.743 -1.799 1.00 72.33 H new ATOM 0 HB2 ALA A 23 7.506 8.909 -1.283 1.00 72.33 H new ATOM 0 HB3 ALA A 23 8.811 8.445 -0.165 1.00 72.33 H new ATOM 370 N THR A 24 8.453 5.642 1.252 1.00 12.42 N ATOM 371 CA THR A 24 9.283 4.555 1.755 1.00 2.42 C ATOM 372 C THR A 24 8.533 3.229 1.721 1.00 13.11 C ATOM 373 O THR A 24 9.136 2.161 1.822 1.00 52.11 O ATOM 374 CB THR A 24 9.754 4.829 3.196 1.00 22.21 C ATOM 375 OG1 THR A 24 9.047 5.950 3.738 1.00 20.33 O ATOM 376 CG2 THR A 24 11.251 5.100 3.234 1.00 54.31 C ATOM 0 H THR A 24 8.117 6.283 1.971 1.00 12.42 H new ATOM 0 HA THR A 24 10.153 4.493 1.101 1.00 2.42 H new ATOM 0 HB THR A 24 9.546 3.944 3.797 1.00 22.21 H new ATOM 0 HG1 THR A 24 8.108 5.707 3.881 1.00 20.33 H new ATOM 0 HG21 THR A 24 11.560 5.291 4.262 1.00 54.31 H new ATOM 0 HG22 THR A 24 11.788 4.233 2.848 1.00 54.31 H new ATOM 0 HG23 THR A 24 11.479 5.971 2.619 1.00 54.31 H new ATOM 384 N ALA A 25 7.214 3.304 1.578 1.00 54.44 N ATOM 385 CA ALA A 25 6.381 2.109 1.527 1.00 22.14 C ATOM 386 C ALA A 25 6.204 1.623 0.093 1.00 51.32 C ATOM 387 O ALA A 25 5.358 0.773 -0.185 1.00 24.12 O ATOM 388 CB ALA A 25 5.027 2.382 2.165 1.00 21.54 C ATOM 0 H ALA A 25 6.699 4.181 1.495 1.00 54.44 H new ATOM 0 HA ALA A 25 6.884 1.322 2.089 1.00 22.14 H new ATOM 0 HB1 ALA A 25 4.415 1.481 2.120 1.00 21.54 H new ATOM 0 HB2 ALA A 25 5.167 2.674 3.206 1.00 21.54 H new ATOM 0 HB3 ALA A 25 4.527 3.187 1.627 1.00 21.54 H new ATOM 394 N SER A 26 7.006 2.170 -0.815 1.00 62.54 N ATOM 395 CA SER A 26 6.935 1.795 -2.223 1.00 34.22 C ATOM 396 C SER A 26 7.122 0.290 -2.395 1.00 15.53 C ATOM 397 O SER A 26 7.338 -0.434 -1.424 1.00 42.23 O ATOM 398 CB SER A 26 7.996 2.547 -3.027 1.00 41.44 C ATOM 399 OG SER A 26 9.255 2.501 -2.379 1.00 43.21 O ATOM 0 H SER A 26 7.712 2.874 -0.601 1.00 62.54 H new ATOM 0 HA SER A 26 5.947 2.066 -2.596 1.00 34.22 H new ATOM 0 HB2 SER A 26 8.080 2.110 -4.022 1.00 41.44 H new ATOM 0 HB3 SER A 26 7.689 3.585 -3.159 1.00 41.44 H new ATOM 0 HG SER A 26 9.337 3.263 -1.769 1.00 43.21 H new ATOM 405 N ASN A 27 7.036 -0.172 -3.638 1.00 12.12 N ATOM 406 CA ASN A 27 7.195 -1.590 -3.939 1.00 33.15 C ATOM 407 C ASN A 27 8.446 -1.831 -4.777 1.00 62.42 C ATOM 408 O ASN A 27 8.408 -2.553 -5.774 1.00 40.42 O ATOM 409 CB ASN A 27 5.963 -2.117 -4.677 1.00 32.40 C ATOM 410 CG ASN A 27 5.833 -1.537 -6.072 1.00 73.21 C ATOM 411 OD1 ASN A 27 6.128 -2.204 -7.064 1.00 31.22 O ATOM 412 ND2 ASN A 27 5.389 -0.288 -6.154 1.00 60.32 N ATOM 0 H ASN A 27 6.857 0.415 -4.453 1.00 12.12 H new ATOM 0 HA ASN A 27 7.302 -2.127 -2.996 1.00 33.15 H new ATOM 0 HB2 ASN A 27 6.019 -3.204 -4.742 1.00 32.40 H new ATOM 0 HB3 ASN A 27 5.068 -1.878 -4.102 1.00 32.40 H new ATOM 0 HD21 ASN A 27 5.281 0.156 -7.066 1.00 60.32 H new ATOM 0 HD22 ASN A 27 5.156 0.227 -5.305 1.00 60.32 H new ATOM 419 N ARG A 28 9.554 -1.224 -4.365 1.00 40.45 N ATOM 420 CA ARG A 28 10.817 -1.372 -5.079 1.00 11.33 C ATOM 421 C ARG A 28 11.975 -0.813 -4.256 1.00 75.43 C ATOM 422 O ARG A 28 11.815 -0.498 -3.077 1.00 2.22 O ATOM 423 CB ARG A 28 10.749 -0.661 -6.432 1.00 22.22 C ATOM 424 CG ARG A 28 10.812 0.854 -6.328 1.00 35.11 C ATOM 425 CD ARG A 28 10.775 1.508 -7.700 1.00 54.31 C ATOM 426 NE ARG A 28 9.536 1.212 -8.415 1.00 13.35 N ATOM 427 CZ ARG A 28 9.324 1.539 -9.685 1.00 33.05 C ATOM 428 NH1 ARG A 28 10.263 2.169 -10.376 1.00 64.33 N ATOM 429 NH2 ARG A 28 8.170 1.235 -10.265 1.00 51.32 N ATOM 0 H ARG A 28 9.603 -0.625 -3.541 1.00 40.45 H new ATOM 0 HA ARG A 28 10.990 -2.435 -5.244 1.00 11.33 H new ATOM 0 HB2 ARG A 28 11.572 -1.008 -7.057 1.00 22.22 H new ATOM 0 HB3 ARG A 28 9.825 -0.944 -6.936 1.00 22.22 H new ATOM 0 HG2 ARG A 28 9.975 1.214 -5.729 1.00 35.11 H new ATOM 0 HG3 ARG A 28 11.725 1.147 -5.809 1.00 35.11 H new ATOM 0 HD2 ARG A 28 10.881 2.587 -7.590 1.00 54.31 H new ATOM 0 HD3 ARG A 28 11.625 1.163 -8.289 1.00 54.31 H new ATOM 0 HE ARG A 28 8.793 0.728 -7.911 1.00 13.35 H new ATOM 0 HH11 ARG A 28 11.151 2.404 -9.933 1.00 64.33 H new ATOM 0 HH12 ARG A 28 10.098 2.419 -11.351 1.00 64.33 H new ATOM 0 HH21 ARG A 28 7.445 0.750 -9.736 1.00 51.32 H new ATOM 0 HH22 ARG A 28 8.008 1.486 -11.240 1.00 51.32 H new ATOM 443 N ILE A 29 13.138 -0.695 -4.887 1.00 22.14 N ATOM 444 CA ILE A 29 14.322 -0.175 -4.213 1.00 54.43 C ATOM 445 C ILE A 29 14.539 1.298 -4.544 1.00 11.14 C ATOM 446 O ILE A 29 14.899 1.646 -5.668 1.00 51.11 O ATOM 447 CB ILE A 29 15.584 -0.968 -4.600 1.00 51.42 C ATOM 448 CG1 ILE A 29 15.320 -2.471 -4.497 1.00 72.20 C ATOM 449 CG2 ILE A 29 16.753 -0.568 -3.713 1.00 43.40 C ATOM 450 CD1 ILE A 29 14.894 -2.916 -3.115 1.00 62.44 C ATOM 0 H ILE A 29 13.286 -0.952 -5.863 1.00 22.14 H new ATOM 0 HA ILE A 29 14.150 -0.283 -3.142 1.00 54.43 H new ATOM 0 HB ILE A 29 15.840 -0.733 -5.633 1.00 51.42 H new ATOM 0 HG12 ILE A 29 14.546 -2.746 -5.213 1.00 72.20 H new ATOM 0 HG13 ILE A 29 16.223 -3.011 -4.781 1.00 72.20 H new ATOM 0 HG21 ILE A 29 17.638 -1.137 -3.999 1.00 43.40 H new ATOM 0 HG22 ILE A 29 16.952 0.497 -3.832 1.00 43.40 H new ATOM 0 HG23 ILE A 29 16.508 -0.777 -2.672 1.00 43.40 H new ATOM 0 HD11 ILE A 29 14.724 -3.993 -3.116 1.00 62.44 H new ATOM 0 HD12 ILE A 29 15.677 -2.673 -2.397 1.00 62.44 H new ATOM 0 HD13 ILE A 29 13.973 -2.404 -2.835 1.00 62.44 H new ATOM 462 N SER A 30 14.319 2.159 -3.555 1.00 43.32 N ATOM 463 CA SER A 30 14.489 3.596 -3.741 1.00 22.41 C ATOM 464 C SER A 30 15.733 4.094 -3.012 1.00 3.30 C ATOM 465 O SER A 30 15.906 3.853 -1.817 1.00 73.42 O ATOM 466 CB SER A 30 13.254 4.346 -3.238 1.00 24.11 C ATOM 467 OG SER A 30 12.066 3.646 -3.561 1.00 34.54 O ATOM 0 H SER A 30 14.023 1.887 -2.618 1.00 43.32 H new ATOM 0 HA SER A 30 14.612 3.788 -4.807 1.00 22.41 H new ATOM 0 HB2 SER A 30 13.320 4.478 -2.158 1.00 24.11 H new ATOM 0 HB3 SER A 30 13.225 5.342 -3.680 1.00 24.11 H new ATOM 0 HG SER A 30 12.083 3.392 -4.507 1.00 34.54 H new ATOM 473 N VAL A 31 16.599 4.792 -3.741 1.00 14.22 N ATOM 474 CA VAL A 31 17.827 5.327 -3.165 1.00 31.30 C ATOM 475 C VAL A 31 17.582 6.681 -2.509 1.00 45.24 C ATOM 476 O VAL A 31 17.586 7.715 -3.178 1.00 51.21 O ATOM 477 CB VAL A 31 18.928 5.476 -4.231 1.00 61.04 C ATOM 478 CG1 VAL A 31 20.183 6.081 -3.622 1.00 25.02 C ATOM 479 CG2 VAL A 31 19.232 4.131 -4.874 1.00 44.34 C ATOM 0 H VAL A 31 16.472 5.000 -4.732 1.00 14.22 H new ATOM 0 HA VAL A 31 18.158 4.615 -2.409 1.00 31.30 H new ATOM 0 HB VAL A 31 18.569 6.151 -5.008 1.00 61.04 H new ATOM 0 HG11 VAL A 31 20.950 6.178 -4.391 1.00 25.02 H new ATOM 0 HG12 VAL A 31 19.951 7.065 -3.214 1.00 25.02 H new ATOM 0 HG13 VAL A 31 20.549 5.434 -2.825 1.00 25.02 H new ATOM 0 HG21 VAL A 31 20.012 4.255 -5.625 1.00 44.34 H new ATOM 0 HG22 VAL A 31 19.571 3.431 -4.110 1.00 44.34 H new ATOM 0 HG23 VAL A 31 18.331 3.742 -5.348 1.00 44.34 H new ATOM 489 N ILE A 32 17.371 6.668 -1.198 1.00 22.13 N ATOM 490 CA ILE A 32 17.127 7.896 -0.451 1.00 73.23 C ATOM 491 C ILE A 32 18.424 8.659 -0.208 1.00 64.03 C ATOM 492 O ILE A 32 19.314 8.183 0.497 1.00 43.31 O ATOM 493 CB ILE A 32 16.453 7.607 0.903 1.00 30.31 C ATOM 494 CG1 ILE A 32 15.170 6.799 0.697 1.00 13.30 C ATOM 495 CG2 ILE A 32 16.155 8.907 1.635 1.00 64.12 C ATOM 496 CD1 ILE A 32 15.125 5.519 1.502 1.00 45.23 C ATOM 0 H ILE A 32 17.364 5.821 -0.630 1.00 22.13 H new ATOM 0 HA ILE A 32 16.458 8.506 -1.058 1.00 73.23 H new ATOM 0 HB ILE A 32 17.137 7.018 1.514 1.00 30.31 H new ATOM 0 HG12 ILE A 32 14.314 7.418 0.966 1.00 13.30 H new ATOM 0 HG13 ILE A 32 15.069 6.557 -0.361 1.00 13.30 H new ATOM 0 HG21 ILE A 32 15.679 8.686 2.590 1.00 64.12 H new ATOM 0 HG22 ILE A 32 17.085 9.448 1.810 1.00 64.12 H new ATOM 0 HG23 ILE A 32 15.487 9.520 1.030 1.00 64.12 H new ATOM 0 HD11 ILE A 32 14.187 4.999 1.306 1.00 45.23 H new ATOM 0 HD12 ILE A 32 15.961 4.880 1.217 1.00 45.23 H new ATOM 0 HD13 ILE A 32 15.194 5.754 2.564 1.00 45.23 H new ATOM 508 N VAL A 33 18.525 9.847 -0.796 1.00 13.11 N ATOM 509 CA VAL A 33 19.712 10.679 -0.641 1.00 63.32 C ATOM 510 C VAL A 33 19.344 12.079 -0.163 1.00 24.32 C ATOM 511 O VAL A 33 18.582 12.790 -0.818 1.00 32.35 O ATOM 512 CB VAL A 33 20.496 10.789 -1.962 1.00 42.04 C ATOM 513 CG1 VAL A 33 21.873 11.388 -1.718 1.00 61.42 C ATOM 514 CG2 VAL A 33 20.609 9.427 -2.630 1.00 72.20 C ATOM 0 H VAL A 33 17.798 10.255 -1.384 1.00 13.11 H new ATOM 0 HA VAL A 33 20.341 10.197 0.107 1.00 63.32 H new ATOM 0 HB VAL A 33 19.951 11.453 -2.633 1.00 42.04 H new ATOM 0 HG11 VAL A 33 22.412 11.458 -2.663 1.00 61.42 H new ATOM 0 HG12 VAL A 33 21.766 12.383 -1.287 1.00 61.42 H new ATOM 0 HG13 VAL A 33 22.429 10.752 -1.029 1.00 61.42 H new ATOM 0 HG21 VAL A 33 21.166 9.524 -3.562 1.00 72.20 H new ATOM 0 HG22 VAL A 33 21.130 8.738 -1.966 1.00 72.20 H new ATOM 0 HG23 VAL A 33 19.612 9.042 -2.842 1.00 72.20 H new ATOM 524 N PHE A 34 19.892 12.469 0.983 1.00 12.24 N ATOM 525 CA PHE A 34 19.621 13.785 1.551 1.00 60.02 C ATOM 526 C PHE A 34 20.630 14.813 1.047 1.00 24.43 C ATOM 527 O PHE A 34 21.821 14.734 1.354 1.00 35.11 O ATOM 528 CB PHE A 34 19.659 13.722 3.079 1.00 1.41 C ATOM 529 CG PHE A 34 19.374 12.355 3.630 1.00 30.43 C ATOM 530 CD1 PHE A 34 20.352 11.652 4.316 1.00 73.35 C ATOM 531 CD2 PHE A 34 18.128 11.772 3.463 1.00 62.32 C ATOM 532 CE1 PHE A 34 20.093 10.393 4.824 1.00 35.14 C ATOM 533 CE2 PHE A 34 17.863 10.514 3.970 1.00 60.42 C ATOM 534 CZ PHE A 34 18.847 9.823 4.650 1.00 33.23 C ATOM 0 H PHE A 34 20.526 11.893 1.537 1.00 12.24 H new ATOM 0 HA PHE A 34 18.625 14.093 1.232 1.00 60.02 H new ATOM 0 HB2 PHE A 34 20.641 14.046 3.424 1.00 1.41 H new ATOM 0 HB3 PHE A 34 18.931 14.426 3.482 1.00 1.41 H new ATOM 0 HD1 PHE A 34 21.328 12.093 4.455 1.00 73.35 H new ATOM 0 HD2 PHE A 34 17.355 12.307 2.931 1.00 62.32 H new ATOM 0 HE1 PHE A 34 20.864 9.856 5.356 1.00 35.14 H new ATOM 0 HE2 PHE A 34 16.887 10.071 3.835 1.00 60.42 H new ATOM 0 HZ PHE A 34 18.642 8.839 5.045 1.00 33.23 H new ATOM 544 N THR A 35 20.147 15.777 0.271 1.00 52.32 N ATOM 545 CA THR A 35 21.005 16.820 -0.277 1.00 61.23 C ATOM 546 C THR A 35 20.236 18.122 -0.467 1.00 51.10 C ATOM 547 O THR A 35 19.113 18.124 -0.973 1.00 20.33 O ATOM 548 CB THR A 35 21.613 16.395 -1.627 1.00 62.42 C ATOM 549 OG1 THR A 35 20.730 15.489 -2.299 1.00 2.31 O ATOM 550 CG2 THR A 35 22.968 15.734 -1.426 1.00 64.41 C ATOM 0 H THR A 35 19.165 15.857 0.007 1.00 52.32 H new ATOM 0 HA THR A 35 21.809 16.978 0.442 1.00 61.23 H new ATOM 0 HB THR A 35 21.749 17.289 -2.236 1.00 62.42 H new ATOM 0 HG1 THR A 35 21.123 15.225 -3.157 1.00 2.31 H new ATOM 0 HG21 THR A 35 23.378 15.442 -2.393 1.00 64.41 H new ATOM 0 HG22 THR A 35 23.647 16.436 -0.941 1.00 64.41 H new ATOM 0 HG23 THR A 35 22.852 14.850 -0.800 1.00 64.41 H new ATOM 558 N HIS A 36 20.847 19.230 -0.059 1.00 60.20 N ATOM 559 CA HIS A 36 20.219 20.540 -0.186 1.00 1.33 C ATOM 560 C HIS A 36 19.968 20.883 -1.651 1.00 50.00 C ATOM 561 O HIS A 36 20.657 20.405 -2.552 1.00 73.45 O ATOM 562 CB HIS A 36 21.097 21.614 0.458 1.00 13.02 C ATOM 563 CG HIS A 36 21.363 21.377 1.913 1.00 52.21 C ATOM 564 ND1 HIS A 36 20.901 22.213 2.908 1.00 22.42 N ATOM 565 CD2 HIS A 36 22.046 20.390 2.539 1.00 50.42 C ATOM 566 CE1 HIS A 36 21.291 21.751 4.083 1.00 35.11 C ATOM 567 NE2 HIS A 36 21.987 20.646 3.887 1.00 75.32 N ATOM 0 H HIS A 36 21.776 19.247 0.362 1.00 60.20 H new ATOM 0 HA HIS A 36 19.260 20.507 0.330 1.00 1.33 H new ATOM 0 HB2 HIS A 36 22.047 21.662 -0.074 1.00 13.02 H new ATOM 0 HB3 HIS A 36 20.616 22.585 0.338 1.00 13.02 H new ATOM 0 HD2 HIS A 36 22.544 19.557 2.066 1.00 50.42 H new ATOM 0 HE1 HIS A 36 21.077 22.201 5.041 1.00 35.11 H new ATOM 0 HE2 HIS A 36 22.412 20.075 4.618 1.00 75.32 H new ATOM 575 N PRO A 37 18.958 21.731 -1.896 1.00 72.34 N ATOM 576 CA PRO A 37 18.593 22.156 -3.251 1.00 35.11 C ATOM 577 C PRO A 37 19.641 23.071 -3.874 1.00 23.11 C ATOM 578 O PRO A 37 19.674 23.255 -5.091 1.00 24.42 O ATOM 579 CB PRO A 37 17.278 22.913 -3.043 1.00 24.32 C ATOM 580 CG PRO A 37 17.335 23.390 -1.633 1.00 23.03 C ATOM 581 CD PRO A 37 18.095 22.340 -0.870 1.00 71.34 C ATOM 0 HA PRO A 37 18.511 21.311 -3.935 1.00 35.11 H new ATOM 0 HB2 PRO A 37 17.186 23.746 -3.740 1.00 24.32 H new ATOM 0 HB3 PRO A 37 16.417 22.264 -3.207 1.00 24.32 H new ATOM 0 HG2 PRO A 37 17.834 24.357 -1.568 1.00 23.03 H new ATOM 0 HG3 PRO A 37 16.333 23.520 -1.224 1.00 23.03 H new ATOM 0 HD2 PRO A 37 18.680 22.776 -0.060 1.00 71.34 H new ATOM 0 HD3 PRO A 37 17.426 21.606 -0.421 1.00 71.34 H new ATOM 589 N ASP A 38 20.496 23.642 -3.033 1.00 22.24 N ATOM 590 CA ASP A 38 21.548 24.537 -3.501 1.00 73.13 C ATOM 591 C ASP A 38 22.893 24.164 -2.886 1.00 11.31 C ATOM 592 O ASP A 38 23.653 25.033 -2.457 1.00 73.15 O ATOM 593 CB ASP A 38 21.201 25.987 -3.161 1.00 45.31 C ATOM 594 CG ASP A 38 22.152 26.976 -3.806 1.00 44.23 C ATOM 595 OD1 ASP A 38 23.048 26.535 -4.557 1.00 53.35 O ATOM 596 OD2 ASP A 38 22.001 28.191 -3.561 1.00 32.02 O ATOM 0 H ASP A 38 20.481 23.501 -2.023 1.00 22.24 H new ATOM 0 HA ASP A 38 21.624 24.434 -4.583 1.00 73.13 H new ATOM 0 HB2 ASP A 38 20.183 26.200 -3.488 1.00 45.31 H new ATOM 0 HB3 ASP A 38 21.223 26.119 -2.079 1.00 45.31 H new ATOM 601 N SER A 39 23.180 22.867 -2.845 1.00 1.15 N ATOM 602 CA SER A 39 24.431 22.379 -2.277 1.00 24.11 C ATOM 603 C SER A 39 25.505 22.257 -3.354 1.00 23.12 C ATOM 604 O SER A 39 25.483 21.334 -4.168 1.00 51.04 O ATOM 605 CB SER A 39 24.215 21.024 -1.601 1.00 31.32 C ATOM 606 OG SER A 39 25.402 20.250 -1.617 1.00 2.32 O ATOM 0 H SER A 39 22.563 22.135 -3.198 1.00 1.15 H new ATOM 0 HA SER A 39 24.768 23.099 -1.531 1.00 24.11 H new ATOM 0 HB2 SER A 39 23.890 21.176 -0.572 1.00 31.32 H new ATOM 0 HB3 SER A 39 23.418 20.483 -2.111 1.00 31.32 H new ATOM 0 HG SER A 39 25.673 20.048 -0.697 1.00 2.32 H new ATOM 612 N LYS A 40 26.446 23.196 -3.351 1.00 72.54 N ATOM 613 CA LYS A 40 27.530 23.195 -4.326 1.00 3.11 C ATOM 614 C LYS A 40 28.463 22.009 -4.101 1.00 42.32 C ATOM 615 O LYS A 40 28.751 21.250 -5.027 1.00 3.23 O ATOM 616 CB LYS A 40 28.321 24.503 -4.241 1.00 32.34 C ATOM 617 CG LYS A 40 29.232 24.742 -5.432 1.00 71.51 C ATOM 618 CD LYS A 40 30.690 24.505 -5.075 1.00 51.53 C ATOM 619 CE LYS A 40 31.410 25.812 -4.779 1.00 12.11 C ATOM 620 NZ LYS A 40 32.840 25.764 -5.192 1.00 73.22 N ATOM 0 H LYS A 40 26.479 23.967 -2.684 1.00 72.54 H new ATOM 0 HA LYS A 40 27.091 23.106 -5.320 1.00 3.11 H new ATOM 0 HB2 LYS A 40 27.622 25.335 -4.156 1.00 32.34 H new ATOM 0 HB3 LYS A 40 28.921 24.496 -3.331 1.00 32.34 H new ATOM 0 HG2 LYS A 40 28.945 24.081 -6.250 1.00 71.51 H new ATOM 0 HG3 LYS A 40 29.105 25.764 -5.789 1.00 71.51 H new ATOM 0 HD2 LYS A 40 30.751 23.850 -4.206 1.00 51.53 H new ATOM 0 HD3 LYS A 40 31.188 23.992 -5.897 1.00 51.53 H new ATOM 0 HE2 LYS A 40 30.909 26.628 -5.299 1.00 12.11 H new ATOM 0 HE3 LYS A 40 31.347 26.028 -3.712 1.00 12.11 H new ATOM 0 HZ1 LYS A 40 33.295 26.673 -4.973 1.00 73.22 H new ATOM 0 HZ2 LYS A 40 33.325 25.002 -4.677 1.00 73.22 H new ATOM 0 HZ3 LYS A 40 32.900 25.584 -6.214 1.00 73.22 H new ATOM 634 N ARG A 41 28.931 21.856 -2.867 1.00 33.33 N ATOM 635 CA ARG A 41 29.831 20.762 -2.521 1.00 74.12 C ATOM 636 C ARG A 41 29.255 19.422 -2.969 1.00 74.22 C ATOM 637 O ARG A 41 29.990 18.528 -3.390 1.00 14.34 O ATOM 638 CB ARG A 41 30.086 20.741 -1.013 1.00 62.41 C ATOM 639 CG ARG A 41 31.200 21.676 -0.571 1.00 33.12 C ATOM 640 CD ARG A 41 32.571 21.074 -0.836 1.00 51.32 C ATOM 641 NE ARG A 41 33.571 21.552 0.114 1.00 5.32 N ATOM 642 CZ ARG A 41 34.825 21.113 0.145 1.00 35.53 C ATOM 643 NH1 ARG A 41 35.228 20.190 -0.717 1.00 25.10 N ATOM 644 NH2 ARG A 41 35.677 21.596 1.040 1.00 13.22 N ATOM 0 H ARG A 41 28.702 22.476 -2.090 1.00 33.33 H new ATOM 0 HA ARG A 41 30.776 20.924 -3.040 1.00 74.12 H new ATOM 0 HB2 ARG A 41 29.167 21.013 -0.494 1.00 62.41 H new ATOM 0 HB3 ARG A 41 30.335 19.724 -0.709 1.00 62.41 H new ATOM 0 HG2 ARG A 41 31.110 22.626 -1.099 1.00 33.12 H new ATOM 0 HG3 ARG A 41 31.095 21.891 0.492 1.00 33.12 H new ATOM 0 HD2 ARG A 41 32.507 19.987 -0.779 1.00 51.32 H new ATOM 0 HD3 ARG A 41 32.886 21.322 -1.850 1.00 51.32 H new ATOM 0 HE ARG A 41 33.292 22.262 0.791 1.00 5.32 H new ATOM 0 HH11 ARG A 41 34.575 19.816 -1.406 1.00 25.10 H new ATOM 0 HH12 ARG A 41 36.191 19.854 -0.692 1.00 25.10 H new ATOM 0 HH21 ARG A 41 35.370 22.305 1.706 1.00 13.22 H new ATOM 0 HH22 ARG A 41 36.639 21.258 1.063 1.00 13.22 H new ATOM 658 N SER A 42 27.935 19.290 -2.876 1.00 23.53 N ATOM 659 CA SER A 42 27.261 18.057 -3.267 1.00 51.31 C ATOM 660 C SER A 42 26.381 18.285 -4.492 1.00 51.34 C ATOM 661 O SER A 42 25.237 17.834 -4.543 1.00 35.04 O ATOM 662 CB SER A 42 26.415 17.524 -2.109 1.00 54.34 C ATOM 663 OG SER A 42 26.875 18.028 -0.867 1.00 71.32 O ATOM 0 H SER A 42 27.312 20.021 -2.534 1.00 23.53 H new ATOM 0 HA SER A 42 28.023 17.320 -3.520 1.00 51.31 H new ATOM 0 HB2 SER A 42 25.373 17.807 -2.256 1.00 54.34 H new ATOM 0 HB3 SER A 42 26.452 16.435 -2.099 1.00 54.34 H new ATOM 0 HG SER A 42 26.317 17.674 -0.143 1.00 71.32 H new ATOM 669 N LYS A 43 26.924 18.989 -5.480 1.00 14.52 N ATOM 670 CA LYS A 43 26.191 19.278 -6.707 1.00 12.01 C ATOM 671 C LYS A 43 26.846 18.598 -7.905 1.00 4.22 C ATOM 672 O LYS A 43 26.193 18.334 -8.914 1.00 2.44 O ATOM 673 CB LYS A 43 26.121 20.789 -6.940 1.00 75.10 C ATOM 674 CG LYS A 43 24.703 21.335 -6.968 1.00 24.31 C ATOM 675 CD LYS A 43 24.682 22.841 -6.766 1.00 73.40 C ATOM 676 CE LYS A 43 23.568 23.495 -7.570 1.00 24.32 C ATOM 677 NZ LYS A 43 23.200 24.830 -7.023 1.00 30.25 N ATOM 0 H LYS A 43 27.870 19.370 -5.455 1.00 14.52 H new ATOM 0 HA LYS A 43 25.180 18.886 -6.597 1.00 12.01 H new ATOM 0 HB2 LYS A 43 26.681 21.296 -6.154 1.00 75.10 H new ATOM 0 HB3 LYS A 43 26.611 21.026 -7.884 1.00 75.10 H new ATOM 0 HG2 LYS A 43 24.236 21.088 -7.921 1.00 24.31 H new ATOM 0 HG3 LYS A 43 24.111 20.854 -6.189 1.00 24.31 H new ATOM 0 HD2 LYS A 43 24.549 23.066 -5.708 1.00 73.40 H new ATOM 0 HD3 LYS A 43 25.642 23.263 -7.063 1.00 73.40 H new ATOM 0 HE2 LYS A 43 23.884 23.602 -8.608 1.00 24.32 H new ATOM 0 HE3 LYS A 43 22.691 22.848 -7.569 1.00 24.32 H new ATOM 0 HZ1 LYS A 43 22.199 25.025 -7.228 1.00 30.25 H new ATOM 0 HZ2 LYS A 43 23.350 24.837 -5.994 1.00 30.25 H new ATOM 0 HZ3 LYS A 43 23.793 25.562 -7.464 1.00 30.25 H new ATOM 691 N GLU A 44 28.140 18.316 -7.785 1.00 0.41 N ATOM 692 CA GLU A 44 28.882 17.666 -8.859 1.00 2.44 C ATOM 693 C GLU A 44 28.696 16.153 -8.810 1.00 30.41 C ATOM 694 O GLU A 44 28.192 15.548 -9.757 1.00 2.01 O ATOM 695 CB GLU A 44 30.370 18.012 -8.762 1.00 32.30 C ATOM 696 CG GLU A 44 30.640 19.496 -8.584 1.00 53.32 C ATOM 697 CD GLU A 44 31.846 19.968 -9.372 1.00 4.31 C ATOM 698 OE1 GLU A 44 31.966 21.191 -9.597 1.00 73.02 O ATOM 699 OE2 GLU A 44 32.671 19.116 -9.763 1.00 73.11 O ATOM 0 H GLU A 44 28.695 18.527 -6.956 1.00 0.41 H new ATOM 0 HA GLU A 44 28.492 18.032 -9.809 1.00 2.44 H new ATOM 0 HB2 GLU A 44 30.807 17.469 -7.924 1.00 32.30 H new ATOM 0 HB3 GLU A 44 30.874 17.665 -9.664 1.00 32.30 H new ATOM 0 HG2 GLU A 44 29.762 20.061 -8.897 1.00 53.32 H new ATOM 0 HG3 GLU A 44 30.796 19.709 -7.526 1.00 53.32 H new ATOM 706 N ILE A 45 29.106 15.547 -7.701 1.00 5.45 N ATOM 707 CA ILE A 45 28.985 14.105 -7.528 1.00 14.21 C ATOM 708 C ILE A 45 27.523 13.687 -7.410 1.00 51.24 C ATOM 709 O ILE A 45 27.192 12.506 -7.521 1.00 2.42 O ATOM 710 CB ILE A 45 29.747 13.621 -6.280 1.00 42.24 C ATOM 711 CG1 ILE A 45 29.238 14.345 -5.032 1.00 45.11 C ATOM 712 CG2 ILE A 45 31.242 13.842 -6.455 1.00 24.31 C ATOM 713 CD1 ILE A 45 28.016 13.701 -4.416 1.00 25.12 C ATOM 0 H ILE A 45 29.525 16.033 -6.908 1.00 5.45 H new ATOM 0 HA ILE A 45 29.423 13.643 -8.413 1.00 14.21 H new ATOM 0 HB ILE A 45 29.569 12.553 -6.155 1.00 42.24 H new ATOM 0 HG12 ILE A 45 30.035 14.376 -4.290 1.00 45.11 H new ATOM 0 HG13 ILE A 45 29.003 15.377 -5.291 1.00 45.11 H new ATOM 0 HG21 ILE A 45 31.768 13.495 -5.565 1.00 24.31 H new ATOM 0 HG22 ILE A 45 31.593 13.285 -7.324 1.00 24.31 H new ATOM 0 HG23 ILE A 45 31.438 14.904 -6.601 1.00 24.31 H new ATOM 0 HD11 ILE A 45 27.711 14.267 -3.536 1.00 25.12 H new ATOM 0 HD12 ILE A 45 27.203 13.694 -5.142 1.00 25.12 H new ATOM 0 HD13 ILE A 45 28.252 12.677 -4.125 1.00 25.12 H new ATOM 725 N LYS A 46 26.650 14.664 -7.187 1.00 61.13 N ATOM 726 CA LYS A 46 25.222 14.400 -7.058 1.00 30.42 C ATOM 727 C LYS A 46 24.641 13.891 -8.373 1.00 63.04 C ATOM 728 O LYS A 46 23.721 13.075 -8.381 1.00 35.22 O ATOM 729 CB LYS A 46 24.486 15.667 -6.619 1.00 55.53 C ATOM 730 CG LYS A 46 23.578 16.245 -7.691 1.00 50.25 C ATOM 731 CD LYS A 46 22.965 17.564 -7.252 1.00 12.14 C ATOM 732 CE LYS A 46 23.100 18.628 -8.330 1.00 15.52 C ATOM 733 NZ LYS A 46 22.043 19.671 -8.215 1.00 12.42 N ATOM 0 H LYS A 46 26.907 15.646 -7.092 1.00 61.13 H new ATOM 0 HA LYS A 46 25.088 13.628 -6.300 1.00 30.42 H new ATOM 0 HB2 LYS A 46 23.892 15.443 -5.733 1.00 55.53 H new ATOM 0 HB3 LYS A 46 25.218 16.421 -6.330 1.00 55.53 H new ATOM 0 HG2 LYS A 46 24.147 16.395 -8.609 1.00 50.25 H new ATOM 0 HG3 LYS A 46 22.785 15.533 -7.920 1.00 50.25 H new ATOM 0 HD2 LYS A 46 21.911 17.416 -7.016 1.00 12.14 H new ATOM 0 HD3 LYS A 46 23.451 17.906 -6.339 1.00 12.14 H new ATOM 0 HE2 LYS A 46 24.082 19.096 -8.257 1.00 15.52 H new ATOM 0 HE3 LYS A 46 23.042 18.159 -9.312 1.00 15.52 H new ATOM 0 HZ1 LYS A 46 22.169 20.378 -8.967 1.00 12.42 H new ATOM 0 HZ2 LYS A 46 21.107 19.228 -8.310 1.00 12.42 H new ATOM 0 HZ3 LYS A 46 22.114 20.136 -7.288 1.00 12.42 H new ATOM 747 N GLU A 47 25.187 14.378 -9.484 1.00 30.15 N ATOM 748 CA GLU A 47 24.722 13.971 -10.804 1.00 62.04 C ATOM 749 C GLU A 47 25.211 12.566 -11.144 1.00 44.13 C ATOM 750 O GLU A 47 24.576 11.844 -11.913 1.00 22.32 O ATOM 751 CB GLU A 47 25.204 14.961 -11.867 1.00 12.55 C ATOM 752 CG GLU A 47 24.455 14.853 -13.184 1.00 64.54 C ATOM 753 CD GLU A 47 25.058 15.722 -14.271 1.00 15.21 C ATOM 754 OE1 GLU A 47 24.523 16.825 -14.512 1.00 34.22 O ATOM 755 OE2 GLU A 47 26.063 15.301 -14.880 1.00 74.31 O ATOM 0 H GLU A 47 25.951 15.054 -9.495 1.00 30.15 H new ATOM 0 HA GLU A 47 23.632 13.965 -10.791 1.00 62.04 H new ATOM 0 HB2 GLU A 47 25.099 15.975 -11.481 1.00 12.55 H new ATOM 0 HB3 GLU A 47 26.266 14.798 -12.048 1.00 12.55 H new ATOM 0 HG2 GLU A 47 24.454 13.814 -13.513 1.00 64.54 H new ATOM 0 HG3 GLU A 47 23.415 15.139 -13.031 1.00 64.54 H new ATOM 762 N LYS A 48 26.346 12.185 -10.567 1.00 12.24 N ATOM 763 CA LYS A 48 26.922 10.867 -10.806 1.00 40.41 C ATOM 764 C LYS A 48 25.887 9.771 -10.577 1.00 34.00 C ATOM 765 O LYS A 48 25.868 8.763 -11.285 1.00 15.20 O ATOM 766 CB LYS A 48 28.129 10.642 -9.893 1.00 3.40 C ATOM 767 CG LYS A 48 29.278 11.600 -10.157 1.00 65.20 C ATOM 768 CD LYS A 48 30.428 11.371 -9.190 1.00 42.12 C ATOM 769 CE LYS A 48 31.471 10.432 -9.777 1.00 2.13 C ATOM 770 NZ LYS A 48 32.046 9.527 -8.743 1.00 44.14 N ATOM 0 H LYS A 48 26.885 12.771 -9.930 1.00 12.24 H new ATOM 0 HA LYS A 48 27.247 10.824 -11.845 1.00 40.41 H new ATOM 0 HB2 LYS A 48 27.813 10.744 -8.855 1.00 3.40 H new ATOM 0 HB3 LYS A 48 28.484 9.619 -10.019 1.00 3.40 H new ATOM 0 HG2 LYS A 48 29.631 11.473 -11.180 1.00 65.20 H new ATOM 0 HG3 LYS A 48 28.925 12.627 -10.067 1.00 65.20 H new ATOM 0 HD2 LYS A 48 30.893 12.325 -8.944 1.00 42.12 H new ATOM 0 HD3 LYS A 48 30.044 10.954 -8.259 1.00 42.12 H new ATOM 0 HE2 LYS A 48 31.019 9.837 -10.570 1.00 2.13 H new ATOM 0 HE3 LYS A 48 32.270 11.016 -10.233 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 33.031 9.302 -8.988 1.00 44.14 H new ATOM 0 HZ2 LYS A 48 32.019 9.997 -7.816 1.00 44.14 H new ATOM 0 HZ3 LYS A 48 31.490 8.649 -8.702 1.00 44.14 H new ATOM 784 N LEU A 49 25.026 9.974 -9.585 1.00 43.04 N ATOM 785 CA LEU A 49 23.986 9.003 -9.264 1.00 22.00 C ATOM 786 C LEU A 49 22.900 8.994 -10.335 1.00 11.12 C ATOM 787 O LEU A 49 22.309 7.954 -10.626 1.00 53.24 O ATOM 788 CB LEU A 49 23.371 9.318 -7.900 1.00 14.35 C ATOM 789 CG LEU A 49 22.481 8.230 -7.297 1.00 51.41 C ATOM 790 CD1 LEU A 49 23.290 6.974 -7.016 1.00 62.33 C ATOM 791 CD2 LEU A 49 21.813 8.732 -6.025 1.00 75.32 C ATOM 0 H LEU A 49 25.028 10.802 -8.990 1.00 43.04 H new ATOM 0 HA LEU A 49 24.444 8.015 -9.230 1.00 22.00 H new ATOM 0 HB2 LEU A 49 24.179 9.528 -7.199 1.00 14.35 H new ATOM 0 HB3 LEU A 49 22.783 10.231 -7.991 1.00 14.35 H new ATOM 0 HG LEU A 49 21.703 7.982 -8.019 1.00 51.41 H new ATOM 0 HD11 LEU A 49 22.640 6.211 -6.587 1.00 62.33 H new ATOM 0 HD12 LEU A 49 23.721 6.603 -7.946 1.00 62.33 H new ATOM 0 HD13 LEU A 49 24.090 7.206 -6.313 1.00 62.33 H new ATOM 0 HD21 LEU A 49 21.184 7.945 -5.610 1.00 75.32 H new ATOM 0 HD22 LEU A 49 22.576 9.008 -5.298 1.00 75.32 H new ATOM 0 HD23 LEU A 49 21.200 9.603 -6.256 1.00 75.32 H new ATOM 803 N LYS A 50 22.643 10.159 -10.919 1.00 41.34 N ATOM 804 CA LYS A 50 21.631 10.287 -11.961 1.00 32.40 C ATOM 805 C LYS A 50 22.006 9.461 -13.188 1.00 15.23 C ATOM 806 O LYS A 50 21.151 8.827 -13.807 1.00 21.22 O ATOM 807 CB LYS A 50 21.457 11.755 -12.355 1.00 11.10 C ATOM 808 CG LYS A 50 20.089 12.319 -12.011 1.00 41.23 C ATOM 809 CD LYS A 50 19.079 12.042 -13.112 1.00 41.43 C ATOM 810 CE LYS A 50 18.031 13.141 -13.196 1.00 40.53 C ATOM 811 NZ LYS A 50 18.044 13.820 -14.522 1.00 0.12 N ATOM 0 H LYS A 50 23.122 11.029 -10.688 1.00 41.34 H new ATOM 0 HA LYS A 50 20.688 9.910 -11.565 1.00 32.40 H new ATOM 0 HB2 LYS A 50 22.222 12.350 -11.856 1.00 11.10 H new ATOM 0 HB3 LYS A 50 21.624 11.857 -13.427 1.00 11.10 H new ATOM 0 HG2 LYS A 50 19.739 11.882 -11.076 1.00 41.23 H new ATOM 0 HG3 LYS A 50 20.168 13.394 -11.850 1.00 41.23 H new ATOM 0 HD2 LYS A 50 19.596 11.956 -14.068 1.00 41.43 H new ATOM 0 HD3 LYS A 50 18.591 11.085 -12.927 1.00 41.43 H new ATOM 0 HE2 LYS A 50 17.044 12.716 -13.015 1.00 40.53 H new ATOM 0 HE3 LYS A 50 18.211 13.875 -12.410 1.00 40.53 H new ATOM 0 HZ1 LYS A 50 17.316 14.562 -14.539 1.00 0.12 H new ATOM 0 HZ2 LYS A 50 18.978 14.248 -14.684 1.00 0.12 H new ATOM 0 HZ3 LYS A 50 17.847 13.125 -15.270 1.00 0.12 H new ATOM 825 N LYS A 51 23.288 9.472 -13.533 1.00 44.54 N ATOM 826 CA LYS A 51 23.778 8.723 -14.684 1.00 72.14 C ATOM 827 C LYS A 51 23.713 7.221 -14.423 1.00 42.53 C ATOM 828 O LYS A 51 23.382 6.440 -15.316 1.00 32.55 O ATOM 829 CB LYS A 51 25.215 9.133 -15.012 1.00 63.13 C ATOM 830 CG LYS A 51 25.310 10.355 -15.909 1.00 14.20 C ATOM 831 CD LYS A 51 26.746 10.830 -16.055 1.00 15.42 C ATOM 832 CE LYS A 51 26.910 12.264 -15.574 1.00 53.14 C ATOM 833 NZ LYS A 51 28.281 12.521 -15.055 1.00 3.33 N ATOM 0 H LYS A 51 24.008 9.992 -13.031 1.00 44.54 H new ATOM 0 HA LYS A 51 23.138 8.954 -15.536 1.00 72.14 H new ATOM 0 HB2 LYS A 51 25.748 9.333 -14.082 1.00 63.13 H new ATOM 0 HB3 LYS A 51 25.721 8.297 -15.496 1.00 63.13 H new ATOM 0 HG2 LYS A 51 24.902 10.118 -16.892 1.00 14.20 H new ATOM 0 HG3 LYS A 51 24.700 11.159 -15.496 1.00 14.20 H new ATOM 0 HD2 LYS A 51 27.406 10.176 -15.485 1.00 15.42 H new ATOM 0 HD3 LYS A 51 27.050 10.758 -17.099 1.00 15.42 H new ATOM 0 HE2 LYS A 51 26.698 12.949 -16.395 1.00 53.14 H new ATOM 0 HE3 LYS A 51 26.181 12.470 -14.791 1.00 53.14 H new ATOM 0 HZ1 LYS A 51 28.352 13.509 -14.737 1.00 3.33 H new ATOM 0 HZ2 LYS A 51 28.474 11.885 -14.255 1.00 3.33 H new ATOM 0 HZ3 LYS A 51 28.976 12.349 -15.810 1.00 3.33 H new ATOM 847 N LEU A 52 24.030 6.825 -13.196 1.00 22.03 N ATOM 848 CA LEU A 52 24.007 5.416 -12.817 1.00 14.54 C ATOM 849 C LEU A 52 22.671 4.776 -13.183 1.00 4.33 C ATOM 850 O LEU A 52 22.602 3.581 -13.468 1.00 44.45 O ATOM 851 CB LEU A 52 24.262 5.268 -11.316 1.00 21.42 C ATOM 852 CG LEU A 52 24.359 3.835 -10.790 1.00 74.02 C ATOM 853 CD1 LEU A 52 25.210 3.785 -9.531 1.00 32.50 C ATOM 854 CD2 LEU A 52 22.971 3.271 -10.521 1.00 61.02 C ATOM 0 H LEU A 52 24.306 7.459 -12.446 1.00 22.03 H new ATOM 0 HA LEU A 52 24.797 4.904 -13.366 1.00 14.54 H new ATOM 0 HB2 LEU A 52 25.189 5.787 -11.072 1.00 21.42 H new ATOM 0 HB3 LEU A 52 23.461 5.777 -10.780 1.00 21.42 H new ATOM 0 HG LEU A 52 24.838 3.220 -11.552 1.00 74.02 H new ATOM 0 HD11 LEU A 52 25.268 2.758 -9.171 1.00 32.50 H new ATOM 0 HD12 LEU A 52 26.213 4.148 -9.755 1.00 32.50 H new ATOM 0 HD13 LEU A 52 24.760 4.414 -8.763 1.00 32.50 H new ATOM 0 HD21 LEU A 52 23.059 2.251 -10.147 1.00 61.02 H new ATOM 0 HD22 LEU A 52 22.466 3.887 -9.778 1.00 61.02 H new ATOM 0 HD23 LEU A 52 22.393 3.270 -11.445 1.00 61.02 H new ATOM 866 N ALA A 53 21.613 5.580 -13.174 1.00 3.53 N ATOM 867 CA ALA A 53 20.281 5.094 -13.509 1.00 30.41 C ATOM 868 C ALA A 53 20.286 4.355 -14.843 1.00 11.00 C ATOM 869 O ALA A 53 19.458 3.475 -15.078 1.00 42.53 O ATOM 870 CB ALA A 53 19.291 6.248 -13.546 1.00 40.44 C ATOM 0 H ALA A 53 21.653 6.572 -12.938 1.00 3.53 H new ATOM 0 HA ALA A 53 19.973 4.391 -12.735 1.00 30.41 H new ATOM 0 HB1 ALA A 53 18.300 5.870 -13.798 1.00 40.44 H new ATOM 0 HB2 ALA A 53 19.258 6.730 -12.569 1.00 40.44 H new ATOM 0 HB3 ALA A 53 19.604 6.972 -14.298 1.00 40.44 H new ATOM 876 N GLU A 54 21.223 4.719 -15.713 1.00 1.45 N ATOM 877 CA GLU A 54 21.333 4.091 -17.024 1.00 3.22 C ATOM 878 C GLU A 54 21.921 2.688 -16.907 1.00 73.41 C ATOM 879 O GLU A 54 21.411 1.739 -17.503 1.00 43.54 O ATOM 880 CB GLU A 54 22.202 4.944 -17.951 1.00 72.11 C ATOM 881 CG GLU A 54 22.479 4.292 -19.295 1.00 51.14 C ATOM 882 CD GLU A 54 23.735 3.442 -19.284 1.00 11.41 C ATOM 883 OE1 GLU A 54 23.701 2.328 -19.846 1.00 63.31 O ATOM 884 OE2 GLU A 54 24.750 3.891 -18.713 1.00 5.41 O ATOM 0 H GLU A 54 21.916 5.445 -15.533 1.00 1.45 H new ATOM 0 HA GLU A 54 20.331 4.013 -17.447 1.00 3.22 H new ATOM 0 HB2 GLU A 54 21.710 5.903 -18.116 1.00 72.11 H new ATOM 0 HB3 GLU A 54 23.150 5.153 -17.456 1.00 72.11 H new ATOM 0 HG2 GLU A 54 21.628 3.672 -19.576 1.00 51.14 H new ATOM 0 HG3 GLU A 54 22.575 5.066 -20.057 1.00 51.14 H new ATOM 891 N GLU A 55 22.996 2.565 -16.135 1.00 31.30 N ATOM 892 CA GLU A 55 23.653 1.278 -15.941 1.00 64.33 C ATOM 893 C GLU A 55 22.701 0.271 -15.302 1.00 43.00 C ATOM 894 O GLU A 55 22.864 -0.939 -15.458 1.00 34.41 O ATOM 895 CB GLU A 55 24.900 1.443 -15.069 1.00 34.30 C ATOM 896 CG GLU A 55 24.641 1.215 -13.589 1.00 62.51 C ATOM 897 CD GLU A 55 24.761 -0.245 -13.194 1.00 44.51 C ATOM 898 OE1 GLU A 55 25.079 -1.072 -14.074 1.00 32.43 O ATOM 899 OE2 GLU A 55 24.538 -0.559 -12.006 1.00 40.44 O ATOM 0 H GLU A 55 23.430 3.340 -15.634 1.00 31.30 H new ATOM 0 HA GLU A 55 23.950 0.900 -16.919 1.00 64.33 H new ATOM 0 HB2 GLU A 55 25.665 0.744 -15.407 1.00 34.30 H new ATOM 0 HB3 GLU A 55 25.301 2.447 -15.209 1.00 34.30 H new ATOM 0 HG2 GLU A 55 25.348 1.805 -13.005 1.00 62.51 H new ATOM 0 HG3 GLU A 55 23.643 1.574 -13.339 1.00 62.51 H new ATOM 906 N PHE A 56 21.708 0.780 -14.581 1.00 52.53 N ATOM 907 CA PHE A 56 20.730 -0.073 -13.917 1.00 11.15 C ATOM 908 C PHE A 56 19.464 0.710 -13.580 1.00 41.13 C ATOM 909 O PHE A 56 19.258 1.151 -12.449 1.00 63.23 O ATOM 910 CB PHE A 56 21.327 -0.671 -12.641 1.00 70.00 C ATOM 911 CG PHE A 56 20.594 -1.886 -12.149 1.00 11.05 C ATOM 912 CD1 PHE A 56 20.271 -2.916 -13.017 1.00 21.10 C ATOM 913 CD2 PHE A 56 20.227 -1.998 -10.817 1.00 40.50 C ATOM 914 CE1 PHE A 56 19.597 -4.036 -12.567 1.00 11.30 C ATOM 915 CE2 PHE A 56 19.553 -3.115 -10.361 1.00 41.22 C ATOM 916 CZ PHE A 56 19.237 -4.135 -11.237 1.00 54.54 C ATOM 0 H PHE A 56 21.559 1.779 -14.442 1.00 52.53 H new ATOM 0 HA PHE A 56 20.466 -0.880 -14.600 1.00 11.15 H new ATOM 0 HB2 PHE A 56 22.368 -0.935 -12.826 1.00 70.00 H new ATOM 0 HB3 PHE A 56 21.324 0.087 -11.858 1.00 70.00 H new ATOM 0 HD1 PHE A 56 20.549 -2.843 -14.058 1.00 21.10 H new ATOM 0 HD2 PHE A 56 20.471 -1.203 -10.128 1.00 40.50 H new ATOM 0 HE1 PHE A 56 19.352 -4.832 -13.254 1.00 11.30 H new ATOM 0 HE2 PHE A 56 19.274 -3.190 -9.320 1.00 41.22 H new ATOM 0 HZ PHE A 56 18.709 -5.008 -10.883 1.00 54.54 H new ATOM 926 N PRO A 57 18.595 0.889 -14.586 1.00 72.41 N ATOM 927 CA PRO A 57 17.334 1.619 -14.423 1.00 22.34 C ATOM 928 C PRO A 57 16.332 0.859 -13.561 1.00 33.22 C ATOM 929 O PRO A 57 15.280 1.388 -13.203 1.00 14.43 O ATOM 930 CB PRO A 57 16.814 1.753 -15.856 1.00 33.01 C ATOM 931 CG PRO A 57 17.428 0.612 -16.591 1.00 21.15 C ATOM 932 CD PRO A 57 18.775 0.391 -15.960 1.00 63.12 C ATOM 0 HA PRO A 57 17.478 2.573 -13.917 1.00 22.34 H new ATOM 0 HB2 PRO A 57 15.726 1.705 -15.888 1.00 33.01 H new ATOM 0 HB3 PRO A 57 17.104 2.708 -16.294 1.00 33.01 H new ATOM 0 HG2 PRO A 57 16.809 -0.282 -16.512 1.00 21.15 H new ATOM 0 HG3 PRO A 57 17.527 0.839 -17.652 1.00 21.15 H new ATOM 0 HD2 PRO A 57 19.056 -0.662 -15.972 1.00 63.12 H new ATOM 0 HD3 PRO A 57 19.559 0.936 -16.485 1.00 63.12 H new ATOM 940 N ASP A 58 16.665 -0.384 -13.231 1.00 32.10 N ATOM 941 CA ASP A 58 15.794 -1.217 -12.409 1.00 52.43 C ATOM 942 C ASP A 58 15.522 -0.554 -11.062 1.00 75.24 C ATOM 943 O ASP A 58 14.527 -0.853 -10.401 1.00 71.24 O ATOM 944 CB ASP A 58 16.422 -2.595 -12.196 1.00 44.42 C ATOM 945 CG ASP A 58 16.094 -3.176 -10.835 1.00 64.42 C ATOM 946 OD1 ASP A 58 16.728 -2.760 -9.843 1.00 5.10 O ATOM 947 OD2 ASP A 58 15.203 -4.048 -10.762 1.00 51.42 O ATOM 0 H ASP A 58 17.532 -0.837 -13.520 1.00 32.10 H new ATOM 0 HA ASP A 58 14.846 -1.336 -12.933 1.00 52.43 H new ATOM 0 HB2 ASP A 58 16.071 -3.275 -12.972 1.00 44.42 H new ATOM 0 HB3 ASP A 58 17.504 -2.519 -12.304 1.00 44.42 H new ATOM 952 N VAL A 59 16.413 0.347 -10.661 1.00 33.44 N ATOM 953 CA VAL A 59 16.269 1.052 -9.393 1.00 31.55 C ATOM 954 C VAL A 59 15.751 2.469 -9.608 1.00 0.25 C ATOM 955 O VAL A 59 16.150 3.150 -10.552 1.00 40.24 O ATOM 956 CB VAL A 59 17.606 1.115 -8.631 1.00 1.21 C ATOM 957 CG1 VAL A 59 18.551 2.106 -9.293 1.00 65.33 C ATOM 958 CG2 VAL A 59 17.372 1.482 -7.173 1.00 54.44 C ATOM 0 H VAL A 59 17.242 0.606 -11.196 1.00 33.44 H new ATOM 0 HA VAL A 59 15.547 0.491 -8.799 1.00 31.55 H new ATOM 0 HB VAL A 59 18.070 0.129 -8.664 1.00 1.21 H new ATOM 0 HG11 VAL A 59 19.490 2.137 -8.741 1.00 65.33 H new ATOM 0 HG12 VAL A 59 18.744 1.795 -10.320 1.00 65.33 H new ATOM 0 HG13 VAL A 59 18.097 3.097 -9.293 1.00 65.33 H new ATOM 0 HG21 VAL A 59 18.327 1.522 -6.650 1.00 54.44 H new ATOM 0 HG22 VAL A 59 16.886 2.456 -7.116 1.00 54.44 H new ATOM 0 HG23 VAL A 59 16.734 0.731 -6.707 1.00 54.44 H new ATOM 968 N ASP A 60 14.861 2.908 -8.725 1.00 13.03 N ATOM 969 CA ASP A 60 14.289 4.246 -8.816 1.00 54.34 C ATOM 970 C ASP A 60 15.096 5.240 -7.988 1.00 11.44 C ATOM 971 O ASP A 60 15.546 4.924 -6.886 1.00 33.21 O ATOM 972 CB ASP A 60 12.833 4.235 -8.347 1.00 1.13 C ATOM 973 CG ASP A 60 12.711 4.309 -6.837 1.00 42.13 C ATOM 974 OD1 ASP A 60 12.616 5.434 -6.304 1.00 12.42 O ATOM 975 OD2 ASP A 60 12.710 3.242 -6.190 1.00 24.43 O ATOM 0 H ASP A 60 14.520 2.356 -7.938 1.00 13.03 H new ATOM 0 HA ASP A 60 14.324 4.558 -9.860 1.00 54.34 H new ATOM 0 HB2 ASP A 60 12.304 5.077 -8.793 1.00 1.13 H new ATOM 0 HB3 ASP A 60 12.346 3.328 -8.704 1.00 1.13 H new ATOM 980 N ILE A 61 15.276 6.442 -8.525 1.00 43.11 N ATOM 981 CA ILE A 61 16.029 7.482 -7.835 1.00 24.21 C ATOM 982 C ILE A 61 15.138 8.259 -6.872 1.00 61.01 C ATOM 983 O ILE A 61 13.976 8.536 -7.172 1.00 4.15 O ATOM 984 CB ILE A 61 16.672 8.466 -8.830 1.00 11.20 C ATOM 985 CG1 ILE A 61 17.916 9.110 -8.213 1.00 74.23 C ATOM 986 CG2 ILE A 61 15.668 9.531 -9.244 1.00 52.44 C ATOM 987 CD1 ILE A 61 19.028 8.125 -7.931 1.00 4.04 C ATOM 0 H ILE A 61 14.911 6.720 -9.436 1.00 43.11 H new ATOM 0 HA ILE A 61 16.817 6.981 -7.273 1.00 24.21 H new ATOM 0 HB ILE A 61 16.975 7.914 -9.720 1.00 11.20 H new ATOM 0 HG12 ILE A 61 18.288 9.882 -8.886 1.00 74.23 H new ATOM 0 HG13 ILE A 61 17.636 9.606 -7.283 1.00 74.23 H new ATOM 0 HG21 ILE A 61 16.137 10.219 -9.947 1.00 52.44 H new ATOM 0 HG22 ILE A 61 14.809 9.056 -9.719 1.00 52.44 H new ATOM 0 HG23 ILE A 61 15.338 10.082 -8.363 1.00 52.44 H new ATOM 0 HD11 ILE A 61 19.878 8.650 -7.495 1.00 4.04 H new ATOM 0 HD12 ILE A 61 18.674 7.366 -7.233 1.00 4.04 H new ATOM 0 HD13 ILE A 61 19.336 7.647 -8.861 1.00 4.04 H new ATOM 999 N TYR A 62 15.690 8.609 -5.716 1.00 1.31 N ATOM 1000 CA TYR A 62 14.945 9.355 -4.708 1.00 62.40 C ATOM 1001 C TYR A 62 15.784 10.498 -4.145 1.00 23.52 C ATOM 1002 O TYR A 62 16.823 10.273 -3.522 1.00 60.10 O ATOM 1003 CB TYR A 62 14.506 8.424 -3.576 1.00 70.14 C ATOM 1004 CG TYR A 62 13.416 9.004 -2.704 1.00 3.35 C ATOM 1005 CD1 TYR A 62 12.227 9.463 -3.256 1.00 73.53 C ATOM 1006 CD2 TYR A 62 13.577 9.096 -1.326 1.00 74.45 C ATOM 1007 CE1 TYR A 62 11.228 9.994 -2.463 1.00 5.30 C ATOM 1008 CE2 TYR A 62 12.583 9.624 -0.525 1.00 43.53 C ATOM 1009 CZ TYR A 62 11.411 10.073 -1.098 1.00 63.41 C ATOM 1010 OH TYR A 62 10.420 10.601 -0.304 1.00 1.55 O ATOM 0 H TYR A 62 16.651 8.388 -5.453 1.00 1.31 H new ATOM 0 HA TYR A 62 14.061 9.778 -5.185 1.00 62.40 H new ATOM 0 HB2 TYR A 62 14.156 7.485 -4.004 1.00 70.14 H new ATOM 0 HB3 TYR A 62 15.370 8.188 -2.955 1.00 70.14 H new ATOM 0 HD1 TYR A 62 12.081 9.404 -4.324 1.00 73.53 H new ATOM 0 HD2 TYR A 62 14.495 8.749 -0.874 1.00 74.45 H new ATOM 0 HE1 TYR A 62 10.309 10.345 -2.909 1.00 5.30 H new ATOM 0 HE2 TYR A 62 12.723 9.685 0.544 1.00 43.53 H new ATOM 0 HH TYR A 62 9.544 10.362 -0.672 1.00 1.55 H new ATOM 1020 N LEU A 63 15.326 11.724 -4.368 1.00 2.43 N ATOM 1021 CA LEU A 63 16.033 12.905 -3.882 1.00 72.25 C ATOM 1022 C LEU A 63 15.237 13.602 -2.784 1.00 4.24 C ATOM 1023 O LEU A 63 14.015 13.722 -2.868 1.00 30.42 O ATOM 1024 CB LEU A 63 16.293 13.877 -5.035 1.00 24.15 C ATOM 1025 CG LEU A 63 17.666 14.550 -5.048 1.00 24.45 C ATOM 1026 CD1 LEU A 63 18.128 14.792 -6.476 1.00 4.41 C ATOM 1027 CD2 LEU A 63 17.628 15.856 -4.268 1.00 54.12 C ATOM 0 H LEU A 63 14.469 11.927 -4.882 1.00 2.43 H new ATOM 0 HA LEU A 63 16.987 12.582 -3.464 1.00 72.25 H new ATOM 0 HB2 LEU A 63 16.166 13.338 -5.974 1.00 24.15 H new ATOM 0 HB3 LEU A 63 15.530 14.655 -5.008 1.00 24.15 H new ATOM 0 HG LEU A 63 18.381 13.883 -4.565 1.00 24.45 H new ATOM 0 HD11 LEU A 63 19.107 15.272 -6.465 1.00 4.41 H new ATOM 0 HD12 LEU A 63 18.196 13.840 -7.003 1.00 4.41 H new ATOM 0 HD13 LEU A 63 17.413 15.438 -6.985 1.00 4.41 H new ATOM 0 HD21 LEU A 63 18.614 16.321 -4.288 1.00 54.12 H new ATOM 0 HD22 LEU A 63 16.900 16.529 -4.721 1.00 54.12 H new ATOM 0 HD23 LEU A 63 17.343 15.655 -3.235 1.00 54.12 H new ATOM 1039 N VAL A 64 15.940 14.063 -1.754 1.00 13.54 N ATOM 1040 CA VAL A 64 15.300 14.752 -0.639 1.00 51.52 C ATOM 1041 C VAL A 64 16.172 15.891 -0.123 1.00 44.23 C ATOM 1042 O VAL A 64 17.392 15.758 -0.027 1.00 24.52 O ATOM 1043 CB VAL A 64 14.999 13.785 0.521 1.00 61.23 C ATOM 1044 CG1 VAL A 64 14.169 14.476 1.591 1.00 12.14 C ATOM 1045 CG2 VAL A 64 14.291 12.541 0.006 1.00 23.50 C ATOM 0 H VAL A 64 16.952 13.972 -1.669 1.00 13.54 H new ATOM 0 HA VAL A 64 14.361 15.159 -1.016 1.00 51.52 H new ATOM 0 HB VAL A 64 15.944 13.479 0.970 1.00 61.23 H new ATOM 0 HG11 VAL A 64 13.966 13.777 2.402 1.00 12.14 H new ATOM 0 HG12 VAL A 64 14.718 15.334 1.980 1.00 12.14 H new ATOM 0 HG13 VAL A 64 13.227 14.813 1.159 1.00 12.14 H new ATOM 0 HG21 VAL A 64 14.086 11.868 0.839 1.00 23.50 H new ATOM 0 HG22 VAL A 64 13.353 12.827 -0.469 1.00 23.50 H new ATOM 0 HG23 VAL A 64 14.927 12.035 -0.721 1.00 23.50 H new ATOM 1055 N ASP A 65 15.539 17.011 0.207 1.00 0.13 N ATOM 1056 CA ASP A 65 16.257 18.174 0.716 1.00 42.25 C ATOM 1057 C ASP A 65 16.169 18.245 2.237 1.00 54.52 C ATOM 1058 O ASP A 65 15.513 17.419 2.871 1.00 35.33 O ATOM 1059 CB ASP A 65 15.696 19.456 0.099 1.00 52.41 C ATOM 1060 CG ASP A 65 14.182 19.445 0.018 1.00 10.31 C ATOM 1061 OD1 ASP A 65 13.540 20.178 0.800 1.00 3.01 O ATOM 1062 OD2 ASP A 65 13.639 18.705 -0.828 1.00 32.42 O ATOM 0 H ASP A 65 14.530 17.138 0.131 1.00 0.13 H new ATOM 0 HA ASP A 65 17.306 18.074 0.436 1.00 42.25 H new ATOM 0 HB2 ASP A 65 16.019 20.312 0.691 1.00 52.41 H new ATOM 0 HB3 ASP A 65 16.110 19.586 -0.901 1.00 52.41 H new ATOM 1067 N THR A 66 16.835 19.239 2.817 1.00 33.15 N ATOM 1068 CA THR A 66 16.833 19.417 4.264 1.00 44.11 C ATOM 1069 C THR A 66 15.612 20.208 4.719 1.00 22.24 C ATOM 1070 O THR A 66 15.109 20.009 5.825 1.00 71.41 O ATOM 1071 CB THR A 66 18.107 20.140 4.742 1.00 54.30 C ATOM 1072 OG1 THR A 66 18.468 21.164 3.808 1.00 24.04 O ATOM 1073 CG2 THR A 66 19.259 19.160 4.899 1.00 21.21 C ATOM 0 H THR A 66 17.382 19.933 2.307 1.00 33.15 H new ATOM 0 HA THR A 66 16.802 18.421 4.705 1.00 44.11 H new ATOM 0 HB THR A 66 17.900 20.591 5.713 1.00 54.30 H new ATOM 0 HG1 THR A 66 18.604 22.009 4.285 1.00 24.04 H new ATOM 0 HG21 THR A 66 20.147 19.694 5.237 1.00 21.21 H new ATOM 0 HG22 THR A 66 18.992 18.399 5.632 1.00 21.21 H new ATOM 0 HG23 THR A 66 19.465 18.684 3.940 1.00 21.21 H new ATOM 1081 N SER A 67 15.140 21.105 3.860 1.00 12.11 N ATOM 1082 CA SER A 67 13.978 21.928 4.176 1.00 4.41 C ATOM 1083 C SER A 67 12.707 21.086 4.204 1.00 53.13 C ATOM 1084 O SER A 67 11.695 21.486 4.781 1.00 72.22 O ATOM 1085 CB SER A 67 13.834 23.057 3.154 1.00 51.42 C ATOM 1086 OG SER A 67 13.765 24.320 3.794 1.00 33.42 O ATOM 0 H SER A 67 15.544 21.281 2.940 1.00 12.11 H new ATOM 0 HA SER A 67 14.128 22.360 5.165 1.00 4.41 H new ATOM 0 HB2 SER A 67 14.680 23.040 2.467 1.00 51.42 H new ATOM 0 HB3 SER A 67 12.936 22.899 2.557 1.00 51.42 H new ATOM 0 HG SER A 67 13.675 25.024 3.119 1.00 33.42 H new ATOM 1092 N THR A 68 12.765 19.916 3.575 1.00 4.11 N ATOM 1093 CA THR A 68 11.620 19.017 3.526 1.00 73.34 C ATOM 1094 C THR A 68 11.559 18.135 4.767 1.00 20.43 C ATOM 1095 O THR A 68 10.504 17.603 5.112 1.00 43.24 O ATOM 1096 CB THR A 68 11.663 18.120 2.274 1.00 24.31 C ATOM 1097 OG1 THR A 68 13.020 17.799 1.948 1.00 24.14 O ATOM 1098 CG2 THR A 68 11.002 18.809 1.091 1.00 51.44 C ATOM 0 H THR A 68 13.594 19.569 3.092 1.00 4.11 H new ATOM 0 HA THR A 68 10.729 19.643 3.485 1.00 73.34 H new ATOM 0 HB THR A 68 11.115 17.203 2.492 1.00 24.31 H new ATOM 0 HG1 THR A 68 13.531 17.661 2.773 1.00 24.14 H new ATOM 0 HG21 THR A 68 11.045 18.156 0.219 1.00 51.44 H new ATOM 0 HG22 THR A 68 9.961 19.026 1.331 1.00 51.44 H new ATOM 0 HG23 THR A 68 11.525 19.740 0.873 1.00 51.44 H new ATOM 1106 N ASN A 69 12.697 17.984 5.437 1.00 64.25 N ATOM 1107 CA ASN A 69 12.773 17.165 6.641 1.00 1.43 C ATOM 1108 C ASN A 69 14.024 17.500 7.449 1.00 53.14 C ATOM 1109 O ASN A 69 14.956 16.703 7.556 1.00 75.44 O ATOM 1110 CB ASN A 69 12.771 15.680 6.275 1.00 64.12 C ATOM 1111 CG ASN A 69 13.936 15.304 5.379 1.00 21.03 C ATOM 1112 OD1 ASN A 69 14.745 16.153 5.006 1.00 44.04 O ATOM 1113 ND2 ASN A 69 14.026 14.026 5.031 1.00 75.24 N ATOM 0 H ASN A 69 13.579 18.418 5.166 1.00 64.25 H new ATOM 0 HA ASN A 69 11.898 17.382 7.253 1.00 1.43 H new ATOM 0 HB2 ASN A 69 12.810 15.084 7.187 1.00 64.12 H new ATOM 0 HB3 ASN A 69 11.836 15.434 5.773 1.00 64.12 H new ATOM 0 HD21 ASN A 69 14.789 13.713 4.431 1.00 75.24 H new ATOM 0 HD22 ASN A 69 13.332 13.357 5.364 1.00 75.24 H new ATOM 1120 N PRO A 70 14.046 18.708 8.031 1.00 20.15 N ATOM 1121 CA PRO A 70 15.176 19.176 8.840 1.00 35.33 C ATOM 1122 C PRO A 70 15.290 18.427 10.164 1.00 65.45 C ATOM 1123 O PRO A 70 16.371 18.342 10.747 1.00 54.30 O ATOM 1124 CB PRO A 70 14.848 20.650 9.087 1.00 1.44 C ATOM 1125 CG PRO A 70 13.365 20.733 8.975 1.00 51.35 C ATOM 1126 CD PRO A 70 12.970 19.710 7.946 1.00 21.32 C ATOM 0 HA PRO A 70 16.131 19.015 8.339 1.00 35.33 H new ATOM 0 HB2 PRO A 70 15.189 20.972 10.071 1.00 1.44 H new ATOM 0 HB3 PRO A 70 15.337 21.292 8.354 1.00 1.44 H new ATOM 0 HG2 PRO A 70 12.889 20.526 9.934 1.00 51.35 H new ATOM 0 HG3 PRO A 70 13.052 21.732 8.672 1.00 51.35 H new ATOM 0 HD2 PRO A 70 11.996 19.273 8.167 1.00 21.32 H new ATOM 0 HD3 PRO A 70 12.905 20.147 6.949 1.00 21.32 H new ATOM 1134 N GLU A 71 14.170 17.884 10.631 1.00 43.33 N ATOM 1135 CA GLU A 71 14.147 17.143 11.886 1.00 61.51 C ATOM 1136 C GLU A 71 14.549 15.687 11.665 1.00 1.12 C ATOM 1137 O GLU A 71 15.166 15.065 12.529 1.00 21.32 O ATOM 1138 CB GLU A 71 12.755 17.208 12.517 1.00 11.44 C ATOM 1139 CG GLU A 71 12.562 18.398 13.443 1.00 51.14 C ATOM 1140 CD GLU A 71 11.483 18.160 14.481 1.00 0.42 C ATOM 1141 OE1 GLU A 71 10.858 17.079 14.450 1.00 3.40 O ATOM 1142 OE2 GLU A 71 11.263 19.055 15.325 1.00 62.44 O ATOM 0 H GLU A 71 13.268 17.943 10.159 1.00 43.33 H new ATOM 0 HA GLU A 71 14.867 17.603 12.563 1.00 61.51 H new ATOM 0 HB2 GLU A 71 12.008 17.250 11.725 1.00 11.44 H new ATOM 0 HB3 GLU A 71 12.576 16.290 13.076 1.00 11.44 H new ATOM 0 HG2 GLU A 71 13.503 18.618 13.947 1.00 51.14 H new ATOM 0 HG3 GLU A 71 12.304 19.276 12.851 1.00 51.14 H new ATOM 1149 N ALA A 72 14.194 15.151 10.502 1.00 1.11 N ATOM 1150 CA ALA A 72 14.518 13.770 10.166 1.00 4.35 C ATOM 1151 C ALA A 72 16.001 13.487 10.381 1.00 45.25 C ATOM 1152 O ALA A 72 16.382 12.385 10.775 1.00 70.45 O ATOM 1153 CB ALA A 72 14.124 13.470 8.728 1.00 41.21 C ATOM 0 H ALA A 72 13.682 15.652 9.776 1.00 1.11 H new ATOM 0 HA ALA A 72 13.950 13.118 10.829 1.00 4.35 H new ATOM 0 HB1 ALA A 72 14.372 12.435 8.491 1.00 41.21 H new ATOM 0 HB2 ALA A 72 13.052 13.624 8.605 1.00 41.21 H new ATOM 0 HB3 ALA A 72 14.665 14.136 8.056 1.00 41.21 H new ATOM 1159 N ARG A 73 16.834 14.489 10.118 1.00 63.11 N ATOM 1160 CA ARG A 73 18.276 14.346 10.280 1.00 2.31 C ATOM 1161 C ARG A 73 18.629 13.992 11.722 1.00 54.31 C ATOM 1162 O ARG A 73 19.234 12.954 11.985 1.00 2.14 O ATOM 1163 CB ARG A 73 18.987 15.638 9.873 1.00 51.24 C ATOM 1164 CG ARG A 73 19.883 15.482 8.655 1.00 42.21 C ATOM 1165 CD ARG A 73 21.208 16.204 8.842 1.00 4.15 C ATOM 1166 NE ARG A 73 21.023 17.579 9.299 1.00 20.33 N ATOM 1167 CZ ARG A 73 22.003 18.328 9.791 1.00 3.31 C ATOM 1168 NH1 ARG A 73 23.232 17.839 9.889 1.00 75.44 N ATOM 1169 NH2 ARG A 73 21.756 19.571 10.186 1.00 71.30 N ATOM 0 H ARG A 73 16.535 15.408 9.792 1.00 63.11 H new ATOM 0 HA ARG A 73 18.610 13.535 9.632 1.00 2.31 H new ATOM 0 HB2 ARG A 73 18.240 16.405 9.668 1.00 51.24 H new ATOM 0 HB3 ARG A 73 19.586 15.993 10.712 1.00 51.24 H new ATOM 0 HG2 ARG A 73 20.067 14.424 8.471 1.00 42.21 H new ATOM 0 HG3 ARG A 73 19.374 15.875 7.775 1.00 42.21 H new ATOM 0 HD2 ARG A 73 21.818 15.661 9.564 1.00 4.15 H new ATOM 0 HD3 ARG A 73 21.756 16.206 7.900 1.00 4.15 H new ATOM 0 HE ARG A 73 20.090 17.986 9.237 1.00 20.33 H new ATOM 0 HH11 ARG A 73 23.427 16.885 9.586 1.00 75.44 H new ATOM 0 HH12 ARG A 73 23.982 18.417 10.267 1.00 75.44 H new ATOM 0 HH21 ARG A 73 20.813 19.952 10.112 1.00 71.30 H new ATOM 0 HH22 ARG A 73 22.510 20.145 10.564 1.00 71.30 H new ATOM 1183 N GLU A 74 18.245 14.863 12.650 1.00 3.14 N ATOM 1184 CA GLU A 74 18.523 14.642 14.065 1.00 54.22 C ATOM 1185 C GLU A 74 17.936 13.313 14.533 1.00 3.41 C ATOM 1186 O GLU A 74 18.419 12.714 15.494 1.00 42.30 O ATOM 1187 CB GLU A 74 17.953 15.788 14.904 1.00 35.41 C ATOM 1188 CG GLU A 74 18.897 16.969 15.043 1.00 44.55 C ATOM 1189 CD GLU A 74 18.679 18.020 13.971 1.00 34.11 C ATOM 1190 OE1 GLU A 74 19.681 18.533 13.430 1.00 31.35 O ATOM 1191 OE2 GLU A 74 17.506 18.329 13.673 1.00 1.44 O ATOM 0 H GLU A 74 17.741 15.727 12.448 1.00 3.14 H new ATOM 0 HA GLU A 74 19.605 14.608 14.196 1.00 54.22 H new ATOM 0 HB2 GLU A 74 17.022 16.129 14.452 1.00 35.41 H new ATOM 0 HB3 GLU A 74 17.706 15.412 15.897 1.00 35.41 H new ATOM 0 HG2 GLU A 74 18.762 17.423 16.025 1.00 44.55 H new ATOM 0 HG3 GLU A 74 19.926 16.614 14.995 1.00 44.55 H new ATOM 1198 N TRP A 75 16.893 12.860 13.848 1.00 62.13 N ATOM 1199 CA TRP A 75 16.240 11.602 14.193 1.00 1.34 C ATOM 1200 C TRP A 75 17.257 10.471 14.296 1.00 60.02 C ATOM 1201 O TRP A 75 17.150 9.605 15.164 1.00 25.23 O ATOM 1202 CB TRP A 75 15.175 11.254 13.153 1.00 53.35 C ATOM 1203 CG TRP A 75 14.107 10.343 13.677 1.00 21.52 C ATOM 1204 CD1 TRP A 75 13.372 10.511 14.816 1.00 40.22 C ATOM 1205 CD2 TRP A 75 13.657 9.120 13.084 1.00 20.41 C ATOM 1206 NE1 TRP A 75 12.492 9.467 14.966 1.00 20.42 N ATOM 1207 CE2 TRP A 75 12.646 8.600 13.917 1.00 44.14 C ATOM 1208 CE3 TRP A 75 14.008 8.414 11.930 1.00 54.00 C ATOM 1209 CZ2 TRP A 75 11.986 7.408 13.630 1.00 2.24 C ATOM 1210 CZ3 TRP A 75 13.352 7.231 11.647 1.00 14.14 C ATOM 1211 CH2 TRP A 75 12.350 6.738 12.494 1.00 53.00 C ATOM 0 H TRP A 75 16.481 13.344 13.051 1.00 62.13 H new ATOM 0 HA TRP A 75 15.762 11.725 15.165 1.00 1.34 H new ATOM 0 HB2 TRP A 75 14.714 12.174 12.794 1.00 53.35 H new ATOM 0 HB3 TRP A 75 15.655 10.783 12.295 1.00 53.35 H new ATOM 0 HD1 TRP A 75 13.469 11.343 15.498 1.00 40.22 H new ATOM 0 HE1 TRP A 75 11.831 9.355 15.735 1.00 20.42 H new ATOM 0 HE3 TRP A 75 14.778 8.786 11.271 1.00 54.00 H new ATOM 0 HZ2 TRP A 75 11.214 7.026 14.281 1.00 2.24 H new ATOM 0 HZ3 TRP A 75 13.616 6.677 10.758 1.00 14.14 H new ATOM 0 HH2 TRP A 75 11.855 5.811 12.245 1.00 53.00 H new ATOM 1222 N TYR A 76 18.242 10.484 13.405 1.00 41.51 N ATOM 1223 CA TYR A 76 19.277 9.458 13.394 1.00 22.45 C ATOM 1224 C TYR A 76 20.668 10.085 13.405 1.00 54.43 C ATOM 1225 O TYR A 76 21.669 9.407 13.178 1.00 13.24 O ATOM 1226 CB TYR A 76 19.121 8.558 12.167 1.00 15.31 C ATOM 1227 CG TYR A 76 19.963 7.304 12.224 1.00 51.01 C ATOM 1228 CD1 TYR A 76 20.895 7.024 11.232 1.00 51.31 C ATOM 1229 CD2 TYR A 76 19.826 6.398 13.268 1.00 4.35 C ATOM 1230 CE1 TYR A 76 21.666 5.879 11.279 1.00 4.21 C ATOM 1231 CE2 TYR A 76 20.595 5.252 13.325 1.00 74.44 C ATOM 1232 CZ TYR A 76 21.513 4.996 12.328 1.00 51.34 C ATOM 1233 OH TYR A 76 22.279 3.854 12.379 1.00 10.42 O ATOM 0 H TYR A 76 18.345 11.195 12.681 1.00 41.51 H new ATOM 0 HA TYR A 76 19.163 8.855 14.295 1.00 22.45 H new ATOM 0 HB2 TYR A 76 18.073 8.277 12.064 1.00 15.31 H new ATOM 0 HB3 TYR A 76 19.388 9.125 11.275 1.00 15.31 H new ATOM 0 HD1 TYR A 76 21.019 7.714 10.410 1.00 51.31 H new ATOM 0 HD2 TYR A 76 19.106 6.593 14.049 1.00 4.35 H new ATOM 0 HE1 TYR A 76 22.385 5.676 10.499 1.00 4.21 H new ATOM 0 HE2 TYR A 76 20.478 4.560 14.146 1.00 74.44 H new ATOM 0 HH TYR A 76 22.049 3.341 13.182 1.00 10.42 H new ATOM 1243 N ASN A 77 20.720 11.387 13.670 1.00 61.22 N ATOM 1244 CA ASN A 77 21.987 12.108 13.710 1.00 0.11 C ATOM 1245 C ASN A 77 22.802 11.848 12.447 1.00 73.33 C ATOM 1246 O ASN A 77 23.588 10.902 12.387 1.00 3.13 O ATOM 1247 CB ASN A 77 22.793 11.697 14.944 1.00 71.31 C ATOM 1248 CG ASN A 77 24.235 12.161 14.874 1.00 60.34 C ATOM 1249 OD1 ASN A 77 25.159 11.348 14.840 1.00 42.15 O ATOM 1250 ND2 ASN A 77 24.434 13.474 14.852 1.00 74.51 N ATOM 0 H ASN A 77 19.900 11.963 13.860 1.00 61.22 H new ATOM 0 HA ASN A 77 21.767 13.174 13.766 1.00 0.11 H new ATOM 0 HB2 ASN A 77 22.324 12.112 15.836 1.00 71.31 H new ATOM 0 HB3 ASN A 77 22.768 10.612 15.046 1.00 71.31 H new ATOM 0 HD21 ASN A 77 25.383 13.845 14.805 1.00 74.51 H new ATOM 0 HD22 ASN A 77 23.638 14.111 14.882 1.00 74.51 H new ATOM 1257 N ILE A 78 22.608 12.693 11.440 1.00 71.32 N ATOM 1258 CA ILE A 78 23.326 12.555 10.179 1.00 72.13 C ATOM 1259 C ILE A 78 24.542 13.473 10.136 1.00 44.25 C ATOM 1260 O ILE A 78 24.412 14.697 10.168 1.00 44.45 O ATOM 1261 CB ILE A 78 22.416 12.869 8.976 1.00 4.31 C ATOM 1262 CG1 ILE A 78 21.541 11.660 8.641 1.00 62.13 C ATOM 1263 CG2 ILE A 78 23.253 13.275 7.772 1.00 54.14 C ATOM 1264 CD1 ILE A 78 22.326 10.464 8.148 1.00 11.21 C ATOM 0 H ILE A 78 21.960 13.480 11.473 1.00 71.32 H new ATOM 0 HA ILE A 78 23.655 11.518 10.114 1.00 72.13 H new ATOM 0 HB ILE A 78 21.764 13.702 9.239 1.00 4.31 H new ATOM 0 HG12 ILE A 78 20.976 11.373 9.528 1.00 62.13 H new ATOM 0 HG13 ILE A 78 20.815 11.947 7.880 1.00 62.13 H new ATOM 0 HG21 ILE A 78 22.597 13.494 6.930 1.00 54.14 H new ATOM 0 HG22 ILE A 78 23.837 14.162 8.017 1.00 54.14 H new ATOM 0 HG23 ILE A 78 23.926 12.460 7.505 1.00 54.14 H new ATOM 0 HD11 ILE A 78 21.641 9.644 7.930 1.00 11.21 H new ATOM 0 HD12 ILE A 78 22.870 10.734 7.242 1.00 11.21 H new ATOM 0 HD13 ILE A 78 23.033 10.151 8.916 1.00 11.21 H new ATOM 1276 N THR A 79 25.727 12.874 10.061 1.00 51.12 N ATOM 1277 CA THR A 79 26.968 13.637 10.012 1.00 13.23 C ATOM 1278 C THR A 79 27.365 13.950 8.574 1.00 21.51 C ATOM 1279 O THR A 79 27.910 15.015 8.288 1.00 4.54 O ATOM 1280 CB THR A 79 28.120 12.880 10.698 1.00 22.24 C ATOM 1281 OG1 THR A 79 28.135 11.515 10.266 1.00 21.35 O ATOM 1282 CG2 THR A 79 27.979 12.937 12.212 1.00 25.51 C ATOM 0 H THR A 79 25.853 11.862 10.033 1.00 51.12 H new ATOM 0 HA THR A 79 26.787 14.569 10.547 1.00 13.23 H new ATOM 0 HB THR A 79 29.058 13.359 10.418 1.00 22.24 H new ATOM 0 HG1 THR A 79 28.872 11.041 10.705 1.00 21.35 H new ATOM 0 HG21 THR A 79 28.804 12.395 12.675 1.00 25.51 H new ATOM 0 HG22 THR A 79 27.997 13.976 12.540 1.00 25.51 H new ATOM 0 HG23 THR A 79 27.034 12.480 12.507 1.00 25.51 H new ATOM 1290 N SER A 80 27.088 13.014 7.672 1.00 70.31 N ATOM 1291 CA SER A 80 27.420 13.188 6.263 1.00 52.43 C ATOM 1292 C SER A 80 26.159 13.402 5.430 1.00 3.22 C ATOM 1293 O SER A 80 25.470 12.448 5.070 1.00 32.02 O ATOM 1294 CB SER A 80 28.187 11.971 5.743 1.00 5.30 C ATOM 1295 OG SER A 80 28.196 10.927 6.701 1.00 64.12 O ATOM 0 H SER A 80 26.634 12.127 7.892 1.00 70.31 H new ATOM 0 HA SER A 80 28.051 14.072 6.171 1.00 52.43 H new ATOM 0 HB2 SER A 80 27.730 11.617 4.819 1.00 5.30 H new ATOM 0 HB3 SER A 80 29.211 12.258 5.503 1.00 5.30 H new ATOM 0 HG SER A 80 28.928 10.307 6.502 1.00 64.12 H new ATOM 1301 N VAL A 81 25.864 14.663 5.128 1.00 61.52 N ATOM 1302 CA VAL A 81 24.688 15.004 4.337 1.00 74.40 C ATOM 1303 C VAL A 81 24.486 14.012 3.197 1.00 53.13 C ATOM 1304 O VAL A 81 23.445 13.364 3.081 1.00 1.23 O ATOM 1305 CB VAL A 81 24.796 16.425 3.754 1.00 62.14 C ATOM 1306 CG1 VAL A 81 23.544 17.229 4.068 1.00 33.43 C ATOM 1307 CG2 VAL A 81 26.037 17.126 4.286 1.00 21.42 C ATOM 0 H VAL A 81 26.423 15.465 5.419 1.00 61.52 H new ATOM 0 HA VAL A 81 23.831 14.960 5.009 1.00 74.40 H new ATOM 0 HB VAL A 81 24.886 16.348 2.670 1.00 62.14 H new ATOM 0 HG11 VAL A 81 23.640 18.230 3.648 1.00 33.43 H new ATOM 0 HG12 VAL A 81 22.675 16.734 3.633 1.00 33.43 H new ATOM 0 HG13 VAL A 81 23.418 17.300 5.148 1.00 33.43 H new ATOM 0 HG21 VAL A 81 26.098 18.129 3.864 1.00 21.42 H new ATOM 0 HG22 VAL A 81 25.980 17.193 5.372 1.00 21.42 H new ATOM 0 HG23 VAL A 81 26.924 16.559 4.004 1.00 21.42 H new ATOM 1317 N PRO A 82 25.504 13.889 2.332 1.00 30.15 N ATOM 1318 CA PRO A 82 25.463 12.977 1.185 1.00 31.04 C ATOM 1319 C PRO A 82 25.515 11.512 1.607 1.00 11.50 C ATOM 1320 O PRO A 82 26.546 10.853 1.473 1.00 61.30 O ATOM 1321 CB PRO A 82 26.717 13.350 0.391 1.00 61.51 C ATOM 1322 CG PRO A 82 27.645 13.934 1.400 1.00 72.34 C ATOM 1323 CD PRO A 82 26.774 14.630 2.409 1.00 62.12 C ATOM 0 HA PRO A 82 24.538 13.076 0.618 1.00 31.04 H new ATOM 0 HB2 PRO A 82 27.155 12.476 -0.091 1.00 61.51 H new ATOM 0 HB3 PRO A 82 26.488 14.067 -0.397 1.00 61.51 H new ATOM 0 HG2 PRO A 82 28.246 13.157 1.873 1.00 72.34 H new ATOM 0 HG3 PRO A 82 28.338 14.634 0.934 1.00 72.34 H new ATOM 0 HD2 PRO A 82 27.205 14.587 3.409 1.00 62.12 H new ATOM 0 HD3 PRO A 82 26.640 15.684 2.165 1.00 62.12 H new ATOM 1331 N THR A 83 24.396 11.008 2.117 1.00 14.14 N ATOM 1332 CA THR A 83 24.314 9.622 2.559 1.00 20.32 C ATOM 1333 C THR A 83 23.517 8.776 1.572 1.00 3.03 C ATOM 1334 O THR A 83 22.809 9.306 0.716 1.00 71.21 O ATOM 1335 CB THR A 83 23.665 9.513 3.952 1.00 53.22 C ATOM 1336 OG1 THR A 83 23.206 10.800 4.380 1.00 52.20 O ATOM 1337 CG2 THR A 83 24.652 8.957 4.967 1.00 14.43 C ATOM 0 H THR A 83 23.533 11.540 2.234 1.00 14.14 H new ATOM 0 HA THR A 83 25.336 9.247 2.612 1.00 20.32 H new ATOM 0 HB THR A 83 22.818 8.830 3.882 1.00 53.22 H new ATOM 0 HG1 THR A 83 22.246 10.758 4.572 1.00 52.20 H new ATOM 0 HG21 THR A 83 24.171 8.889 5.943 1.00 14.43 H new ATOM 0 HG22 THR A 83 24.977 7.965 4.653 1.00 14.43 H new ATOM 0 HG23 THR A 83 25.516 9.618 5.034 1.00 14.43 H new ATOM 1345 N PHE A 84 23.637 7.459 1.698 1.00 60.52 N ATOM 1346 CA PHE A 84 22.928 6.539 0.816 1.00 74.00 C ATOM 1347 C PHE A 84 22.182 5.479 1.622 1.00 62.04 C ATOM 1348 O PHE A 84 22.795 4.637 2.278 1.00 0.03 O ATOM 1349 CB PHE A 84 23.906 5.867 -0.149 1.00 45.23 C ATOM 1350 CG PHE A 84 24.037 6.581 -1.464 1.00 51.42 C ATOM 1351 CD1 PHE A 84 23.171 6.301 -2.509 1.00 65.30 C ATOM 1352 CD2 PHE A 84 25.026 7.533 -1.655 1.00 54.24 C ATOM 1353 CE1 PHE A 84 23.289 6.956 -3.720 1.00 55.42 C ATOM 1354 CE2 PHE A 84 25.147 8.192 -2.864 1.00 42.40 C ATOM 1355 CZ PHE A 84 24.278 7.903 -3.898 1.00 65.21 C ATOM 0 H PHE A 84 24.218 7.005 2.402 1.00 60.52 H new ATOM 0 HA PHE A 84 22.201 7.114 0.243 1.00 74.00 H new ATOM 0 HB2 PHE A 84 24.887 5.808 0.323 1.00 45.23 H new ATOM 0 HB3 PHE A 84 23.578 4.844 -0.331 1.00 45.23 H new ATOM 0 HD1 PHE A 84 22.395 5.562 -2.375 1.00 65.30 H new ATOM 0 HD2 PHE A 84 25.709 7.762 -0.851 1.00 54.24 H new ATOM 0 HE1 PHE A 84 22.608 6.727 -4.527 1.00 55.42 H new ATOM 0 HE2 PHE A 84 25.921 8.933 -3.000 1.00 42.40 H new ATOM 0 HZ PHE A 84 24.372 8.417 -4.843 1.00 65.21 H new ATOM 1365 N VAL A 85 20.855 5.527 1.567 1.00 51.32 N ATOM 1366 CA VAL A 85 20.024 4.572 2.290 1.00 25.12 C ATOM 1367 C VAL A 85 19.243 3.684 1.328 1.00 11.23 C ATOM 1368 O VAL A 85 18.613 4.173 0.390 1.00 63.35 O ATOM 1369 CB VAL A 85 19.036 5.287 3.230 1.00 33.43 C ATOM 1370 CG1 VAL A 85 18.519 4.327 4.291 1.00 35.01 C ATOM 1371 CG2 VAL A 85 19.693 6.499 3.872 1.00 52.54 C ATOM 0 H VAL A 85 20.332 6.218 1.029 1.00 51.32 H new ATOM 0 HA VAL A 85 20.696 3.954 2.885 1.00 25.12 H new ATOM 0 HB VAL A 85 18.187 5.632 2.641 1.00 33.43 H new ATOM 0 HG11 VAL A 85 17.822 4.850 4.946 1.00 35.01 H new ATOM 0 HG12 VAL A 85 18.008 3.493 3.809 1.00 35.01 H new ATOM 0 HG13 VAL A 85 19.356 3.949 4.879 1.00 35.01 H new ATOM 0 HG21 VAL A 85 18.980 6.992 4.533 1.00 52.54 H new ATOM 0 HG22 VAL A 85 20.561 6.180 4.448 1.00 52.54 H new ATOM 0 HG23 VAL A 85 20.009 7.195 3.095 1.00 52.54 H new ATOM 1381 N ILE A 86 19.287 2.378 1.568 1.00 4.25 N ATOM 1382 CA ILE A 86 18.582 1.422 0.724 1.00 11.22 C ATOM 1383 C ILE A 86 17.365 0.848 1.442 1.00 22.10 C ATOM 1384 O ILE A 86 17.465 0.382 2.576 1.00 31.05 O ATOM 1385 CB ILE A 86 19.503 0.265 0.293 1.00 54.54 C ATOM 1386 CG1 ILE A 86 20.942 0.761 0.136 1.00 14.34 C ATOM 1387 CG2 ILE A 86 19.005 -0.351 -1.006 1.00 61.12 C ATOM 1388 CD1 ILE A 86 21.913 -0.323 -0.276 1.00 53.32 C ATOM 0 H ILE A 86 19.804 1.958 2.340 1.00 4.25 H new ATOM 0 HA ILE A 86 18.255 1.965 -0.163 1.00 11.22 H new ATOM 0 HB ILE A 86 19.486 -0.502 1.067 1.00 54.54 H new ATOM 0 HG12 ILE A 86 20.964 1.559 -0.607 1.00 14.34 H new ATOM 0 HG13 ILE A 86 21.273 1.195 1.079 1.00 14.34 H new ATOM 0 HG21 ILE A 86 19.666 -1.167 -1.298 1.00 61.12 H new ATOM 0 HG22 ILE A 86 17.995 -0.735 -0.863 1.00 61.12 H new ATOM 0 HG23 ILE A 86 18.997 0.407 -1.789 1.00 61.12 H new ATOM 0 HD11 ILE A 86 22.913 0.100 -0.368 1.00 53.32 H new ATOM 0 HD12 ILE A 86 21.920 -1.111 0.478 1.00 53.32 H new ATOM 0 HD13 ILE A 86 21.606 -0.741 -1.235 1.00 53.32 H new ATOM 1400 N GLU A 87 16.218 0.884 0.772 1.00 72.44 N ATOM 1401 CA GLU A 87 14.982 0.365 1.346 1.00 12.40 C ATOM 1402 C GLU A 87 14.194 -0.433 0.311 1.00 14.53 C ATOM 1403 O GLU A 87 14.136 -0.064 -0.862 1.00 14.41 O ATOM 1404 CB GLU A 87 14.123 1.512 1.884 1.00 43.00 C ATOM 1405 CG GLU A 87 13.789 2.564 0.840 1.00 74.34 C ATOM 1406 CD GLU A 87 12.632 2.154 -0.051 1.00 71.22 C ATOM 1407 OE1 GLU A 87 11.589 1.730 0.490 1.00 52.15 O ATOM 1408 OE2 GLU A 87 12.769 2.256 -1.288 1.00 5.21 O ATOM 0 H GLU A 87 16.119 1.267 -0.168 1.00 72.44 H new ATOM 0 HA GLU A 87 15.245 -0.300 2.169 1.00 12.40 H new ATOM 0 HB2 GLU A 87 13.196 1.103 2.285 1.00 43.00 H new ATOM 0 HB3 GLU A 87 14.646 1.988 2.713 1.00 43.00 H new ATOM 0 HG2 GLU A 87 13.544 3.501 1.339 1.00 74.34 H new ATOM 0 HG3 GLU A 87 14.669 2.752 0.224 1.00 74.34 H new ATOM 1415 N LYS A 88 13.588 -1.529 0.754 1.00 21.14 N ATOM 1416 CA LYS A 88 12.802 -2.381 -0.131 1.00 3.42 C ATOM 1417 C LYS A 88 11.352 -2.457 0.335 1.00 73.35 C ATOM 1418 O LYS A 88 10.901 -3.491 0.826 1.00 22.11 O ATOM 1419 CB LYS A 88 13.405 -3.786 -0.188 1.00 45.25 C ATOM 1420 CG LYS A 88 12.645 -4.737 -1.096 1.00 20.42 C ATOM 1421 CD LYS A 88 12.391 -6.072 -0.416 1.00 73.40 C ATOM 1422 CE LYS A 88 11.447 -6.942 -1.232 1.00 34.33 C ATOM 1423 NZ LYS A 88 10.030 -6.502 -1.096 1.00 45.05 N ATOM 0 H LYS A 88 13.626 -1.849 1.722 1.00 21.14 H new ATOM 0 HA LYS A 88 12.822 -1.943 -1.129 1.00 3.42 H new ATOM 0 HB2 LYS A 88 14.437 -3.716 -0.532 1.00 45.25 H new ATOM 0 HB3 LYS A 88 13.432 -4.202 0.819 1.00 45.25 H new ATOM 0 HG2 LYS A 88 11.695 -4.287 -1.383 1.00 20.42 H new ATOM 0 HG3 LYS A 88 13.212 -4.897 -2.013 1.00 20.42 H new ATOM 0 HD2 LYS A 88 13.337 -6.594 -0.273 1.00 73.40 H new ATOM 0 HD3 LYS A 88 11.967 -5.903 0.574 1.00 73.40 H new ATOM 0 HE2 LYS A 88 11.738 -6.909 -2.282 1.00 34.33 H new ATOM 0 HE3 LYS A 88 11.538 -7.979 -0.909 1.00 34.33 H new ATOM 0 HZ1 LYS A 88 9.415 -7.140 -1.640 1.00 45.05 H new ATOM 0 HZ2 LYS A 88 9.754 -6.525 -0.094 1.00 45.05 H new ATOM 0 HZ3 LYS A 88 9.931 -5.533 -1.460 1.00 45.05 H new ATOM 1437 N GLY A 89 10.624 -1.356 0.175 1.00 43.35 N ATOM 1438 CA GLY A 89 9.232 -1.320 0.582 1.00 30.41 C ATOM 1439 C GLY A 89 9.014 -1.929 1.953 1.00 14.12 C ATOM 1440 O GLY A 89 8.049 -2.661 2.169 1.00 71.34 O ATOM 0 H GLY A 89 10.974 -0.488 -0.230 1.00 43.35 H new ATOM 0 HA2 GLY A 89 8.885 -0.287 0.587 1.00 30.41 H new ATOM 0 HA3 GLY A 89 8.628 -1.856 -0.151 1.00 30.41 H new ATOM 1444 N GLY A 90 9.914 -1.626 2.884 1.00 70.23 N ATOM 1445 CA GLY A 90 9.798 -2.158 4.229 1.00 62.31 C ATOM 1446 C GLY A 90 10.717 -1.458 5.211 1.00 55.25 C ATOM 1447 O GLY A 90 10.354 -0.432 5.785 1.00 41.33 O ATOM 0 H GLY A 90 10.721 -1.022 2.730 1.00 70.23 H new ATOM 0 HA2 GLY A 90 8.767 -2.059 4.568 1.00 62.31 H new ATOM 0 HA3 GLY A 90 10.029 -3.223 4.216 1.00 62.31 H new ATOM 1451 N GLU A 91 11.908 -2.014 5.405 1.00 61.54 N ATOM 1452 CA GLU A 91 12.879 -1.437 6.326 1.00 4.21 C ATOM 1453 C GLU A 91 14.252 -1.323 5.669 1.00 21.51 C ATOM 1454 O GLU A 91 14.538 -1.961 4.655 1.00 34.24 O ATOM 1455 CB GLU A 91 12.978 -2.285 7.596 1.00 50.12 C ATOM 1456 CG GLU A 91 12.681 -3.758 7.369 1.00 52.43 C ATOM 1457 CD GLU A 91 13.163 -4.633 8.510 1.00 54.35 C ATOM 1458 OE1 GLU A 91 14.195 -5.314 8.338 1.00 30.43 O ATOM 1459 OE2 GLU A 91 12.508 -4.636 9.573 1.00 71.23 O ATOM 0 H GLU A 91 12.224 -2.863 4.937 1.00 61.54 H new ATOM 0 HA GLU A 91 12.538 -0.436 6.592 1.00 4.21 H new ATOM 0 HB2 GLU A 91 13.980 -2.185 8.012 1.00 50.12 H new ATOM 0 HB3 GLU A 91 12.284 -1.893 8.339 1.00 50.12 H new ATOM 0 HG2 GLU A 91 11.607 -3.893 7.241 1.00 52.43 H new ATOM 0 HG3 GLU A 91 13.155 -4.082 6.442 1.00 52.43 H new ATOM 1466 N PRO A 92 15.123 -0.491 6.259 1.00 20.42 N ATOM 1467 CA PRO A 92 16.480 -0.274 5.749 1.00 20.12 C ATOM 1468 C PRO A 92 17.372 -1.497 5.935 1.00 51.10 C ATOM 1469 O PRO A 92 17.660 -1.903 7.062 1.00 50.52 O ATOM 1470 CB PRO A 92 16.993 0.895 6.593 1.00 2.32 C ATOM 1471 CG PRO A 92 16.206 0.825 7.856 1.00 52.21 C ATOM 1472 CD PRO A 92 14.850 0.301 7.470 1.00 23.22 C ATOM 0 HA PRO A 92 16.486 -0.079 4.677 1.00 20.12 H new ATOM 0 HB2 PRO A 92 18.062 0.804 6.787 1.00 2.32 H new ATOM 0 HB3 PRO A 92 16.841 1.847 6.084 1.00 2.32 H new ATOM 0 HG2 PRO A 92 16.687 0.167 8.580 1.00 52.21 H new ATOM 0 HG3 PRO A 92 16.127 1.807 8.322 1.00 52.21 H new ATOM 0 HD2 PRO A 92 14.415 -0.311 8.261 1.00 23.22 H new ATOM 0 HD3 PRO A 92 14.148 1.111 7.271 1.00 23.22 H new ATOM 1480 N LEU A 93 17.807 -2.080 4.824 1.00 71.34 N ATOM 1481 CA LEU A 93 18.667 -3.258 4.864 1.00 5.40 C ATOM 1482 C LEU A 93 20.135 -2.865 4.725 1.00 53.43 C ATOM 1483 O LEU A 93 21.006 -3.437 5.378 1.00 60.44 O ATOM 1484 CB LEU A 93 18.281 -4.234 3.752 1.00 65.23 C ATOM 1485 CG LEU A 93 18.908 -5.626 3.833 1.00 25.44 C ATOM 1486 CD1 LEU A 93 18.615 -6.266 5.182 1.00 51.33 C ATOM 1487 CD2 LEU A 93 18.400 -6.507 2.701 1.00 24.44 C ATOM 0 H LEU A 93 17.579 -1.757 3.884 1.00 71.34 H new ATOM 0 HA LEU A 93 18.530 -3.745 5.829 1.00 5.40 H new ATOM 0 HB2 LEU A 93 17.197 -4.345 3.754 1.00 65.23 H new ATOM 0 HB3 LEU A 93 18.554 -3.790 2.795 1.00 65.23 H new ATOM 0 HG LEU A 93 19.988 -5.523 3.730 1.00 25.44 H new ATOM 0 HD11 LEU A 93 19.069 -7.256 5.221 1.00 51.33 H new ATOM 0 HD12 LEU A 93 19.029 -5.645 5.977 1.00 51.33 H new ATOM 0 HD13 LEU A 93 17.537 -6.356 5.316 1.00 51.33 H new ATOM 0 HD21 LEU A 93 18.857 -7.494 2.775 1.00 24.44 H new ATOM 0 HD22 LEU A 93 17.317 -6.603 2.773 1.00 24.44 H new ATOM 0 HD23 LEU A 93 18.662 -6.056 1.744 1.00 24.44 H new ATOM 1499 N GLY A 94 20.400 -1.881 3.870 1.00 23.20 N ATOM 1500 CA GLY A 94 21.763 -1.427 3.662 1.00 12.22 C ATOM 1501 C GLY A 94 21.897 0.078 3.784 1.00 51.24 C ATOM 1502 O GLY A 94 20.927 0.811 3.594 1.00 34.13 O ATOM 0 H GLY A 94 19.696 -1.391 3.318 1.00 23.20 H new ATOM 0 HA2 GLY A 94 22.418 -1.907 4.389 1.00 12.22 H new ATOM 0 HA3 GLY A 94 22.100 -1.740 2.674 1.00 12.22 H new ATOM 1506 N GLU A 95 23.102 0.540 4.102 1.00 63.32 N ATOM 1507 CA GLU A 95 23.358 1.968 4.251 1.00 70.43 C ATOM 1508 C GLU A 95 24.857 2.248 4.315 1.00 14.10 C ATOM 1509 O GLU A 95 25.625 1.456 4.861 1.00 40.20 O ATOM 1510 CB GLU A 95 22.673 2.502 5.510 1.00 4.33 C ATOM 1511 CG GLU A 95 23.380 2.114 6.798 1.00 11.44 C ATOM 1512 CD GLU A 95 22.638 2.584 8.035 1.00 60.52 C ATOM 1513 OE1 GLU A 95 21.977 3.641 7.964 1.00 73.43 O ATOM 1514 OE2 GLU A 95 22.719 1.894 9.073 1.00 53.50 O ATOM 0 H GLU A 95 23.916 -0.053 4.261 1.00 63.32 H new ATOM 0 HA GLU A 95 22.948 2.478 3.379 1.00 70.43 H new ATOM 0 HB2 GLU A 95 22.616 3.589 5.450 1.00 4.33 H new ATOM 0 HB3 GLU A 95 21.649 2.131 5.542 1.00 4.33 H new ATOM 0 HG2 GLU A 95 23.491 1.030 6.835 1.00 11.44 H new ATOM 0 HG3 GLU A 95 24.384 2.537 6.799 1.00 11.44 H new ATOM 1521 N VAL A 96 25.265 3.381 3.753 1.00 43.23 N ATOM 1522 CA VAL A 96 26.671 3.768 3.746 1.00 61.31 C ATOM 1523 C VAL A 96 26.834 5.252 4.051 1.00 43.54 C ATOM 1524 O VAL A 96 25.982 6.068 3.696 1.00 25.14 O ATOM 1525 CB VAL A 96 27.332 3.457 2.390 1.00 50.53 C ATOM 1526 CG1 VAL A 96 28.799 3.859 2.406 1.00 21.32 C ATOM 1527 CG2 VAL A 96 27.178 1.983 2.047 1.00 13.41 C ATOM 0 H VAL A 96 24.642 4.047 3.297 1.00 43.23 H new ATOM 0 HA VAL A 96 27.164 3.185 4.524 1.00 61.31 H new ATOM 0 HB VAL A 96 26.829 4.040 1.619 1.00 50.53 H new ATOM 0 HG11 VAL A 96 29.249 3.632 1.440 1.00 21.32 H new ATOM 0 HG12 VAL A 96 28.881 4.928 2.602 1.00 21.32 H new ATOM 0 HG13 VAL A 96 29.319 3.306 3.188 1.00 21.32 H new ATOM 0 HG21 VAL A 96 27.651 1.782 1.086 1.00 13.41 H new ATOM 0 HG22 VAL A 96 27.654 1.378 2.819 1.00 13.41 H new ATOM 0 HG23 VAL A 96 26.119 1.731 1.990 1.00 13.41 H new ATOM 1537 N LYS A 97 27.935 5.598 4.710 1.00 41.04 N ATOM 1538 CA LYS A 97 28.213 6.985 5.062 1.00 50.55 C ATOM 1539 C LYS A 97 29.504 7.465 4.405 1.00 14.21 C ATOM 1540 O LYS A 97 30.590 7.307 4.961 1.00 51.34 O ATOM 1541 CB LYS A 97 28.314 7.137 6.581 1.00 41.30 C ATOM 1542 CG LYS A 97 27.227 6.396 7.340 1.00 62.10 C ATOM 1543 CD LYS A 97 27.791 5.210 8.105 1.00 1.42 C ATOM 1544 CE LYS A 97 26.900 3.985 7.971 1.00 51.24 C ATOM 1545 NZ LYS A 97 25.517 4.249 8.456 1.00 51.32 N ATOM 0 H LYS A 97 28.650 4.936 5.011 1.00 41.04 H new ATOM 0 HA LYS A 97 27.390 7.599 4.696 1.00 50.55 H new ATOM 0 HB2 LYS A 97 29.288 6.774 6.910 1.00 41.30 H new ATOM 0 HB3 LYS A 97 28.266 8.196 6.836 1.00 41.30 H new ATOM 0 HG2 LYS A 97 26.737 7.078 8.034 1.00 62.10 H new ATOM 0 HG3 LYS A 97 26.465 6.051 6.641 1.00 62.10 H new ATOM 0 HD2 LYS A 97 28.789 4.978 7.734 1.00 1.42 H new ATOM 0 HD3 LYS A 97 27.896 5.472 9.158 1.00 1.42 H new ATOM 0 HE2 LYS A 97 26.865 3.674 6.927 1.00 51.24 H new ATOM 0 HE3 LYS A 97 27.331 3.159 8.536 1.00 51.24 H new ATOM 0 HZ1 LYS A 97 25.106 3.369 8.828 1.00 51.32 H new ATOM 0 HZ2 LYS A 97 25.544 4.964 9.211 1.00 51.32 H new ATOM 0 HZ3 LYS A 97 24.934 4.598 7.669 1.00 51.32 H new ATOM 1559 N GLY A 98 29.376 8.054 3.219 1.00 22.45 N ATOM 1560 CA GLY A 98 30.540 8.549 2.508 1.00 23.42 C ATOM 1561 C GLY A 98 30.342 8.554 1.005 1.00 3.33 C ATOM 1562 O GLY A 98 29.559 7.778 0.458 1.00 55.50 O ATOM 0 H GLY A 98 28.487 8.197 2.739 1.00 22.45 H new ATOM 0 HA2 GLY A 98 30.765 9.561 2.845 1.00 23.42 H new ATOM 0 HA3 GLY A 98 31.403 7.931 2.756 1.00 23.42 H new ATOM 1566 N PRO A 99 31.064 9.448 0.313 1.00 51.11 N ATOM 1567 CA PRO A 99 30.980 9.574 -1.145 1.00 41.12 C ATOM 1568 C PRO A 99 31.589 8.377 -1.867 1.00 25.25 C ATOM 1569 O PRO A 99 32.806 8.296 -2.037 1.00 21.15 O ATOM 1570 CB PRO A 99 31.786 10.842 -1.439 1.00 10.05 C ATOM 1571 CG PRO A 99 32.738 10.958 -0.298 1.00 54.42 C ATOM 1572 CD PRO A 99 32.018 10.404 0.900 1.00 13.10 C ATOM 0 HA PRO A 99 29.947 9.619 -1.491 1.00 41.12 H new ATOM 0 HB2 PRO A 99 32.314 10.764 -2.389 1.00 10.05 H new ATOM 0 HB3 PRO A 99 31.139 11.716 -1.505 1.00 10.05 H new ATOM 0 HG2 PRO A 99 33.653 10.400 -0.495 1.00 54.42 H new ATOM 0 HG3 PRO A 99 33.026 11.996 -0.134 1.00 54.42 H new ATOM 0 HD2 PRO A 99 32.705 9.914 1.590 1.00 13.10 H new ATOM 0 HD3 PRO A 99 31.508 11.188 1.460 1.00 13.10 H new ATOM 1580 N ASP A 100 30.737 7.450 -2.289 1.00 32.11 N ATOM 1581 CA ASP A 100 31.192 6.257 -2.994 1.00 15.02 C ATOM 1582 C ASP A 100 30.221 5.882 -4.109 1.00 33.51 C ATOM 1583 O ASP A 100 29.720 4.758 -4.157 1.00 20.52 O ATOM 1584 CB ASP A 100 31.343 5.089 -2.018 1.00 65.01 C ATOM 1585 CG ASP A 100 30.024 4.680 -1.395 1.00 35.04 C ATOM 1586 OD1 ASP A 100 29.705 3.472 -1.417 1.00 42.41 O ATOM 1587 OD2 ASP A 100 29.309 5.567 -0.883 1.00 42.34 O ATOM 0 H ASP A 100 29.727 7.501 -2.155 1.00 32.11 H new ATOM 0 HA ASP A 100 32.162 6.476 -3.440 1.00 15.02 H new ATOM 0 HB2 ASP A 100 31.774 4.236 -2.541 1.00 65.01 H new ATOM 0 HB3 ASP A 100 32.043 5.366 -1.230 1.00 65.01 H new ATOM 1592 N ILE A 101 29.959 6.829 -5.002 1.00 53.44 N ATOM 1593 CA ILE A 101 29.048 6.598 -6.117 1.00 31.45 C ATOM 1594 C ILE A 101 29.510 5.421 -6.969 1.00 23.21 C ATOM 1595 O ILE A 101 28.700 4.741 -7.599 1.00 51.20 O ATOM 1596 CB ILE A 101 28.922 7.846 -7.010 1.00 21.11 C ATOM 1597 CG1 ILE A 101 28.198 8.966 -6.260 1.00 22.23 C ATOM 1598 CG2 ILE A 101 28.188 7.504 -8.298 1.00 25.50 C ATOM 1599 CD1 ILE A 101 26.758 8.640 -5.930 1.00 43.13 C ATOM 0 H ILE A 101 30.365 7.765 -4.976 1.00 53.44 H new ATOM 0 HA ILE A 101 28.073 6.371 -5.686 1.00 31.45 H new ATOM 0 HB ILE A 101 29.923 8.193 -7.266 1.00 21.11 H new ATOM 0 HG12 ILE A 101 28.735 9.179 -5.336 1.00 22.23 H new ATOM 0 HG13 ILE A 101 28.228 9.874 -6.862 1.00 22.23 H new ATOM 0 HG21 ILE A 101 28.107 8.396 -8.919 1.00 25.50 H new ATOM 0 HG22 ILE A 101 28.740 6.735 -8.838 1.00 25.50 H new ATOM 0 HG23 ILE A 101 27.190 7.135 -8.061 1.00 25.50 H new ATOM 0 HD11 ILE A 101 26.308 9.479 -5.399 1.00 43.13 H new ATOM 0 HD12 ILE A 101 26.206 8.456 -6.852 1.00 43.13 H new ATOM 0 HD13 ILE A 101 26.721 7.750 -5.301 1.00 43.13 H new ATOM 1611 N ASP A 102 30.817 5.185 -6.982 1.00 65.31 N ATOM 1612 CA ASP A 102 31.389 4.088 -7.755 1.00 35.43 C ATOM 1613 C ASP A 102 31.211 2.759 -7.025 1.00 45.53 C ATOM 1614 O ASP A 102 30.792 1.765 -7.617 1.00 34.20 O ATOM 1615 CB ASP A 102 32.873 4.343 -8.023 1.00 34.43 C ATOM 1616 CG ASP A 102 33.145 4.710 -9.468 1.00 61.11 C ATOM 1617 OD1 ASP A 102 32.548 5.694 -9.953 1.00 70.24 O ATOM 1618 OD2 ASP A 102 33.956 4.014 -10.114 1.00 2.02 O ATOM 0 H ASP A 102 31.501 5.739 -6.466 1.00 65.31 H new ATOM 0 HA ASP A 102 30.861 4.033 -8.707 1.00 35.43 H new ATOM 0 HB2 ASP A 102 33.224 5.146 -7.375 1.00 34.43 H new ATOM 0 HB3 ASP A 102 33.445 3.452 -7.764 1.00 34.43 H new ATOM 1623 N LYS A 103 31.536 2.750 -5.737 1.00 15.32 N ATOM 1624 CA LYS A 103 31.413 1.545 -4.925 1.00 53.30 C ATOM 1625 C LYS A 103 29.947 1.194 -4.691 1.00 71.22 C ATOM 1626 O LYS A 103 29.619 0.061 -4.335 1.00 13.44 O ATOM 1627 CB LYS A 103 32.123 1.735 -3.583 1.00 10.12 C ATOM 1628 CG LYS A 103 32.897 0.511 -3.126 1.00 31.23 C ATOM 1629 CD LYS A 103 34.123 0.897 -2.315 1.00 34.42 C ATOM 1630 CE LYS A 103 35.275 1.318 -3.213 1.00 64.22 C ATOM 1631 NZ LYS A 103 36.279 2.137 -2.480 1.00 3.52 N ATOM 0 H LYS A 103 31.887 3.564 -5.232 1.00 15.32 H new ATOM 0 HA LYS A 103 31.884 0.723 -5.465 1.00 53.30 H new ATOM 0 HB2 LYS A 103 32.808 2.580 -3.660 1.00 10.12 H new ATOM 0 HB3 LYS A 103 31.384 1.992 -2.824 1.00 10.12 H new ATOM 0 HG2 LYS A 103 32.249 -0.127 -2.526 1.00 31.23 H new ATOM 0 HG3 LYS A 103 33.203 -0.072 -3.994 1.00 31.23 H new ATOM 0 HD2 LYS A 103 33.871 1.713 -1.638 1.00 34.42 H new ATOM 0 HD3 LYS A 103 34.432 0.054 -1.697 1.00 34.42 H new ATOM 0 HE2 LYS A 103 35.759 0.431 -3.623 1.00 64.22 H new ATOM 0 HE3 LYS A 103 34.888 1.888 -4.057 1.00 64.22 H new ATOM 0 HZ1 LYS A 103 37.048 2.404 -3.127 1.00 3.52 H new ATOM 0 HZ2 LYS A 103 35.823 2.996 -2.111 1.00 3.52 H new ATOM 0 HZ3 LYS A 103 36.668 1.584 -1.690 1.00 3.52 H new ATOM 1645 N LEU A 104 29.069 2.170 -4.895 1.00 45.04 N ATOM 1646 CA LEU A 104 27.638 1.963 -4.708 1.00 55.24 C ATOM 1647 C LEU A 104 27.127 0.842 -5.608 1.00 23.23 C ATOM 1648 O LEU A 104 26.112 0.210 -5.314 1.00 1.42 O ATOM 1649 CB LEU A 104 26.873 3.255 -5.002 1.00 0.35 C ATOM 1650 CG LEU A 104 25.359 3.200 -4.797 1.00 13.43 C ATOM 1651 CD1 LEU A 104 24.975 3.845 -3.474 1.00 23.03 C ATOM 1652 CD2 LEU A 104 24.639 3.881 -5.952 1.00 3.20 C ATOM 0 H LEU A 104 29.324 3.113 -5.190 1.00 45.04 H new ATOM 0 HA LEU A 104 27.471 1.676 -3.670 1.00 55.24 H new ATOM 0 HB2 LEU A 104 27.277 4.045 -4.369 1.00 0.35 H new ATOM 0 HB3 LEU A 104 27.069 3.543 -6.035 1.00 0.35 H new ATOM 0 HG LEU A 104 25.054 2.154 -4.770 1.00 13.43 H new ATOM 0 HD11 LEU A 104 23.894 3.796 -3.346 1.00 23.03 H new ATOM 0 HD12 LEU A 104 25.462 3.314 -2.656 1.00 23.03 H new ATOM 0 HD13 LEU A 104 25.294 4.887 -3.471 1.00 23.03 H new ATOM 0 HD21 LEU A 104 23.562 3.832 -5.789 1.00 3.20 H new ATOM 0 HD22 LEU A 104 24.950 4.924 -6.010 1.00 3.20 H new ATOM 0 HD23 LEU A 104 24.888 3.375 -6.885 1.00 3.20 H new ATOM 1664 N ARG A 105 27.839 0.599 -6.703 1.00 62.42 N ATOM 1665 CA ARG A 105 27.459 -0.447 -7.645 1.00 20.51 C ATOM 1666 C ARG A 105 27.680 -1.831 -7.040 1.00 3.45 C ATOM 1667 O ARG A 105 26.955 -2.776 -7.347 1.00 11.23 O ATOM 1668 CB ARG A 105 28.260 -0.312 -8.941 1.00 61.21 C ATOM 1669 CG ARG A 105 27.485 0.346 -10.070 1.00 52.34 C ATOM 1670 CD ARG A 105 28.279 0.342 -11.367 1.00 54.44 C ATOM 1671 NE ARG A 105 29.656 0.784 -11.167 1.00 62.14 N ATOM 1672 CZ ARG A 105 30.009 2.059 -11.044 1.00 72.33 C ATOM 1673 NH1 ARG A 105 29.090 3.013 -11.100 1.00 74.42 N ATOM 1674 NH2 ARG A 105 31.283 2.381 -10.864 1.00 42.45 N ATOM 0 H ARG A 105 28.682 1.112 -6.960 1.00 62.42 H new ATOM 0 HA ARG A 105 26.398 -0.332 -7.868 1.00 20.51 H new ATOM 0 HB2 ARG A 105 29.160 0.269 -8.743 1.00 61.21 H new ATOM 0 HB3 ARG A 105 28.584 -1.302 -9.263 1.00 61.21 H new ATOM 0 HG2 ARG A 105 26.541 -0.178 -10.218 1.00 52.34 H new ATOM 0 HG3 ARG A 105 27.240 1.372 -9.795 1.00 52.34 H new ATOM 0 HD2 ARG A 105 28.279 -0.663 -11.789 1.00 54.44 H new ATOM 0 HD3 ARG A 105 27.791 0.993 -12.093 1.00 54.44 H new ATOM 0 HE ARG A 105 30.388 0.075 -11.119 1.00 62.14 H new ATOM 0 HH11 ARG A 105 28.109 2.769 -11.238 1.00 74.42 H new ATOM 0 HH12 ARG A 105 29.364 3.991 -11.005 1.00 74.42 H new ATOM 0 HH21 ARG A 105 31.993 1.650 -10.820 1.00 42.45 H new ATOM 0 HH22 ARG A 105 31.553 3.360 -10.770 1.00 42.45 H new ATOM 1688 N GLU A 106 28.687 -1.940 -6.179 1.00 4.04 N ATOM 1689 CA GLU A 106 29.004 -3.208 -5.532 1.00 3.11 C ATOM 1690 C GLU A 106 28.351 -3.295 -4.156 1.00 11.14 C ATOM 1691 O GLU A 106 28.120 -4.386 -3.633 1.00 13.44 O ATOM 1692 CB GLU A 106 30.520 -3.374 -5.401 1.00 34.23 C ATOM 1693 CG GLU A 106 31.165 -2.362 -4.469 1.00 35.13 C ATOM 1694 CD GLU A 106 32.545 -2.789 -4.010 1.00 3.15 C ATOM 1695 OE1 GLU A 106 32.664 -3.280 -2.868 1.00 24.35 O ATOM 1696 OE2 GLU A 106 33.506 -2.632 -4.791 1.00 41.53 O ATOM 0 H GLU A 106 29.297 -1.167 -5.914 1.00 4.04 H new ATOM 0 HA GLU A 106 28.610 -4.012 -6.153 1.00 3.11 H new ATOM 0 HB2 GLU A 106 30.737 -4.379 -5.039 1.00 34.23 H new ATOM 0 HB3 GLU A 106 30.973 -3.286 -6.388 1.00 34.23 H new ATOM 0 HG2 GLU A 106 31.237 -1.400 -4.977 1.00 35.13 H new ATOM 0 HG3 GLU A 106 30.526 -2.216 -3.598 1.00 35.13 H new ATOM 1703 N THR A 107 28.056 -2.137 -3.573 1.00 33.02 N ATOM 1704 CA THR A 107 27.431 -2.081 -2.257 1.00 40.13 C ATOM 1705 C THR A 107 25.934 -2.357 -2.347 1.00 5.40 C ATOM 1706 O THR A 107 25.335 -2.894 -1.415 1.00 71.51 O ATOM 1707 CB THR A 107 27.650 -0.710 -1.590 1.00 32.15 C ATOM 1708 OG1 THR A 107 28.980 -0.247 -1.847 1.00 1.34 O ATOM 1709 CG2 THR A 107 27.419 -0.796 -0.088 1.00 74.44 C ATOM 0 H THR A 107 28.240 -1.225 -3.992 1.00 33.02 H new ATOM 0 HA THR A 107 27.904 -2.852 -1.649 1.00 40.13 H new ATOM 0 HB THR A 107 26.933 -0.006 -2.013 1.00 32.15 H new ATOM 0 HG1 THR A 107 29.042 0.075 -2.771 1.00 1.34 H new ATOM 0 HG21 THR A 107 27.579 0.184 0.361 1.00 74.44 H new ATOM 0 HG22 THR A 107 26.397 -1.121 0.105 1.00 74.44 H new ATOM 0 HG23 THR A 107 28.115 -1.513 0.347 1.00 74.44 H new ATOM 1717 N LEU A 108 25.336 -1.986 -3.474 1.00 30.04 N ATOM 1718 CA LEU A 108 23.908 -2.194 -3.686 1.00 32.45 C ATOM 1719 C LEU A 108 23.636 -3.596 -4.222 1.00 33.22 C ATOM 1720 O LEU A 108 22.538 -4.131 -4.062 1.00 3.23 O ATOM 1721 CB LEU A 108 23.358 -1.149 -4.657 1.00 45.35 C ATOM 1722 CG LEU A 108 23.280 -1.572 -6.125 1.00 11.13 C ATOM 1723 CD1 LEU A 108 21.944 -2.237 -6.418 1.00 10.04 C ATOM 1724 CD2 LEU A 108 23.492 -0.373 -7.038 1.00 24.14 C ATOM 0 H LEU A 108 25.818 -1.540 -4.255 1.00 30.04 H new ATOM 0 HA LEU A 108 23.404 -2.088 -2.725 1.00 32.45 H new ATOM 0 HB2 LEU A 108 22.358 -0.867 -4.327 1.00 45.35 H new ATOM 0 HB3 LEU A 108 23.980 -0.256 -4.589 1.00 45.35 H new ATOM 0 HG LEU A 108 24.073 -2.295 -6.318 1.00 11.13 H new ATOM 0 HD11 LEU A 108 21.906 -2.531 -7.467 1.00 10.04 H new ATOM 0 HD12 LEU A 108 21.831 -3.120 -5.789 1.00 10.04 H new ATOM 0 HD13 LEU A 108 21.135 -1.537 -6.208 1.00 10.04 H new ATOM 0 HD21 LEU A 108 23.433 -0.693 -8.078 1.00 24.14 H new ATOM 0 HD22 LEU A 108 22.721 0.373 -6.844 1.00 24.14 H new ATOM 0 HD23 LEU A 108 24.473 0.061 -6.847 1.00 24.14 H new ATOM 1736 N ASP A 109 24.642 -4.187 -4.857 1.00 2.33 N ATOM 1737 CA ASP A 109 24.513 -5.528 -5.414 1.00 30.22 C ATOM 1738 C ASP A 109 24.555 -6.581 -4.311 1.00 32.03 C ATOM 1739 O ASP A 109 23.701 -7.465 -4.252 1.00 22.33 O ATOM 1740 CB ASP A 109 25.626 -5.791 -6.429 1.00 70.14 C ATOM 1741 CG ASP A 109 25.975 -7.263 -6.538 1.00 54.52 C ATOM 1742 OD1 ASP A 109 27.173 -7.598 -6.429 1.00 34.54 O ATOM 1743 OD2 ASP A 109 25.049 -8.078 -6.732 1.00 64.21 O ATOM 0 H ASP A 109 25.556 -3.758 -4.999 1.00 2.33 H new ATOM 0 HA ASP A 109 23.549 -5.594 -5.918 1.00 30.22 H new ATOM 0 HB2 ASP A 109 25.317 -5.421 -7.406 1.00 70.14 H new ATOM 0 HB3 ASP A 109 26.515 -5.230 -6.142 1.00 70.14 H new ATOM 1748 N GLU A 110 25.554 -6.479 -3.440 1.00 20.22 N ATOM 1749 CA GLU A 110 25.707 -7.424 -2.340 1.00 63.52 C ATOM 1750 C GLU A 110 24.430 -7.504 -1.509 1.00 1.22 C ATOM 1751 O GLU A 110 24.175 -8.503 -0.836 1.00 32.41 O ATOM 1752 CB GLU A 110 26.884 -7.019 -1.450 1.00 50.10 C ATOM 1753 CG GLU A 110 28.202 -6.904 -2.198 1.00 14.31 C ATOM 1754 CD GLU A 110 29.005 -8.189 -2.166 1.00 20.32 C ATOM 1755 OE1 GLU A 110 28.427 -9.241 -1.821 1.00 34.13 O ATOM 1756 OE2 GLU A 110 30.211 -8.144 -2.485 1.00 43.11 O ATOM 0 H GLU A 110 26.269 -5.752 -3.475 1.00 20.22 H new ATOM 0 HA GLU A 110 25.905 -8.408 -2.765 1.00 63.52 H new ATOM 0 HB2 GLU A 110 26.659 -6.063 -0.978 1.00 50.10 H new ATOM 0 HB3 GLU A 110 26.993 -7.752 -0.650 1.00 50.10 H new ATOM 0 HG2 GLU A 110 28.005 -6.629 -3.234 1.00 14.31 H new ATOM 0 HG3 GLU A 110 28.794 -6.099 -1.762 1.00 14.31 H new ATOM 1763 N LEU A 111 23.631 -6.443 -1.560 1.00 25.51 N ATOM 1764 CA LEU A 111 22.380 -6.391 -0.812 1.00 22.43 C ATOM 1765 C LEU A 111 21.201 -6.789 -1.694 1.00 22.42 C ATOM 1766 O LEU A 111 20.382 -7.627 -1.313 1.00 41.02 O ATOM 1767 CB LEU A 111 22.159 -4.987 -0.248 1.00 14.24 C ATOM 1768 CG LEU A 111 20.723 -4.643 0.153 1.00 65.21 C ATOM 1769 CD1 LEU A 111 20.713 -3.705 1.350 1.00 44.34 C ATOM 1770 CD2 LEU A 111 19.976 -4.024 -1.019 1.00 44.22 C ATOM 0 H LEU A 111 23.828 -5.608 -2.111 1.00 25.51 H new ATOM 0 HA LEU A 111 22.448 -7.101 0.013 1.00 22.43 H new ATOM 0 HB2 LEU A 111 22.799 -4.863 0.626 1.00 14.24 H new ATOM 0 HB3 LEU A 111 22.491 -4.262 -0.991 1.00 14.24 H new ATOM 0 HG LEU A 111 20.214 -5.565 0.436 1.00 65.21 H new ATOM 0 HD11 LEU A 111 19.683 -3.472 1.621 1.00 44.34 H new ATOM 0 HD12 LEU A 111 21.210 -4.185 2.193 1.00 44.34 H new ATOM 0 HD13 LEU A 111 21.239 -2.785 1.096 1.00 44.34 H new ATOM 0 HD21 LEU A 111 18.957 -3.786 -0.716 1.00 44.22 H new ATOM 0 HD22 LEU A 111 20.484 -3.112 -1.333 1.00 44.22 H new ATOM 0 HD23 LEU A 111 19.952 -4.730 -1.849 1.00 44.22 H new ATOM 1782 N LEU A 112 21.122 -6.186 -2.874 1.00 42.44 N ATOM 1783 CA LEU A 112 20.044 -6.478 -3.813 1.00 24.51 C ATOM 1784 C LEU A 112 20.057 -7.950 -4.214 1.00 74.02 C ATOM 1785 O LEU A 112 19.048 -8.487 -4.671 1.00 22.42 O ATOM 1786 CB LEU A 112 20.172 -5.598 -5.057 1.00 55.30 C ATOM 1787 CG LEU A 112 18.942 -5.536 -5.964 1.00 41.11 C ATOM 1788 CD1 LEU A 112 17.720 -5.087 -5.178 1.00 24.14 C ATOM 1789 CD2 LEU A 112 19.193 -4.604 -7.140 1.00 45.43 C ATOM 0 H LEU A 112 21.792 -5.491 -3.204 1.00 42.44 H new ATOM 0 HA LEU A 112 19.096 -6.262 -3.319 1.00 24.51 H new ATOM 0 HB2 LEU A 112 20.415 -4.585 -4.737 1.00 55.30 H new ATOM 0 HB3 LEU A 112 21.016 -5.957 -5.646 1.00 55.30 H new ATOM 0 HG LEU A 112 18.751 -6.536 -6.353 1.00 41.11 H new ATOM 0 HD11 LEU A 112 16.855 -5.049 -5.840 1.00 24.14 H new ATOM 0 HD12 LEU A 112 17.528 -5.793 -4.370 1.00 24.14 H new ATOM 0 HD13 LEU A 112 17.900 -4.097 -4.759 1.00 24.14 H new ATOM 0 HD21 LEU A 112 18.307 -4.572 -7.775 1.00 45.43 H new ATOM 0 HD22 LEU A 112 19.411 -3.602 -6.770 1.00 45.43 H new ATOM 0 HD23 LEU A 112 20.041 -4.969 -7.719 1.00 45.43 H new ATOM 1801 N ALA A 113 21.204 -8.596 -4.038 1.00 65.44 N ATOM 1802 CA ALA A 113 21.347 -10.007 -4.378 1.00 52.31 C ATOM 1803 C ALA A 113 20.763 -10.896 -3.286 1.00 32.13 C ATOM 1804 O ALA A 113 20.307 -12.008 -3.555 1.00 2.32 O ATOM 1805 CB ALA A 113 22.811 -10.348 -4.613 1.00 12.03 C ATOM 0 H ALA A 113 22.049 -8.165 -3.662 1.00 65.44 H new ATOM 0 HA ALA A 113 20.791 -10.192 -5.297 1.00 52.31 H new ATOM 0 HB1 ALA A 113 22.902 -11.404 -4.866 1.00 12.03 H new ATOM 0 HB2 ALA A 113 23.198 -9.744 -5.433 1.00 12.03 H new ATOM 0 HB3 ALA A 113 23.383 -10.141 -3.708 1.00 12.03 H new ATOM 1811 N ARG A 114 20.780 -10.400 -2.053 1.00 1.01 N ATOM 1812 CA ARG A 114 20.254 -11.151 -0.920 1.00 32.14 C ATOM 1813 C ARG A 114 18.808 -11.569 -1.169 1.00 33.31 C ATOM 1814 O ARG A 114 18.487 -12.758 -1.179 1.00 32.51 O ATOM 1815 CB ARG A 114 20.341 -10.315 0.358 1.00 1.05 C ATOM 1816 CG ARG A 114 19.792 -11.021 1.587 1.00 21.52 C ATOM 1817 CD ARG A 114 18.318 -10.711 1.796 1.00 61.51 C ATOM 1818 NE ARG A 114 17.986 -10.560 3.210 1.00 53.51 N ATOM 1819 CZ ARG A 114 17.989 -11.565 4.078 1.00 62.11 C ATOM 1820 NH1 ARG A 114 18.307 -12.789 3.678 1.00 13.25 N ATOM 1821 NH2 ARG A 114 17.675 -11.347 5.349 1.00 62.44 N ATOM 0 H ARG A 114 21.152 -9.481 -1.814 1.00 1.01 H new ATOM 0 HA ARG A 114 20.859 -12.050 -0.800 1.00 32.14 H new ATOM 0 HB2 ARG A 114 21.383 -10.049 0.538 1.00 1.05 H new ATOM 0 HB3 ARG A 114 19.795 -9.383 0.210 1.00 1.05 H new ATOM 0 HG2 ARG A 114 19.927 -12.097 1.480 1.00 21.52 H new ATOM 0 HG3 ARG A 114 20.358 -10.715 2.467 1.00 21.52 H new ATOM 0 HD2 ARG A 114 18.061 -9.795 1.263 1.00 61.51 H new ATOM 0 HD3 ARG A 114 17.715 -11.510 1.365 1.00 61.51 H new ATOM 0 HE ARG A 114 17.738 -9.631 3.550 1.00 53.51 H new ATOM 0 HH11 ARG A 114 18.550 -12.960 2.702 1.00 13.25 H new ATOM 0 HH12 ARG A 114 18.309 -13.560 4.346 1.00 13.25 H new ATOM 0 HH21 ARG A 114 17.431 -10.407 5.660 1.00 62.44 H new ATOM 0 HH22 ARG A 114 17.678 -12.120 6.015 1.00 62.44 H new ATOM 1835 N LEU A 115 17.939 -10.585 -1.369 1.00 51.52 N ATOM 1836 CA LEU A 115 16.526 -10.850 -1.618 1.00 41.41 C ATOM 1837 C LEU A 115 16.336 -11.603 -2.931 1.00 24.24 C ATOM 1838 O LEU A 115 15.381 -12.362 -3.089 1.00 31.25 O ATOM 1839 CB LEU A 115 15.739 -9.538 -1.652 1.00 21.35 C ATOM 1840 CG LEU A 115 16.076 -8.582 -2.796 1.00 72.45 C ATOM 1841 CD1 LEU A 115 15.129 -8.797 -3.967 1.00 64.53 C ATOM 1842 CD2 LEU A 115 16.018 -7.138 -2.320 1.00 62.31 C ATOM 0 H LEU A 115 18.188 -9.596 -1.364 1.00 51.52 H new ATOM 0 HA LEU A 115 16.150 -11.472 -0.806 1.00 41.41 H new ATOM 0 HB2 LEU A 115 14.677 -9.776 -1.705 1.00 21.35 H new ATOM 0 HB3 LEU A 115 15.901 -9.016 -0.709 1.00 21.35 H new ATOM 0 HG LEU A 115 17.091 -8.792 -3.132 1.00 72.45 H new ATOM 0 HD11 LEU A 115 15.384 -8.108 -4.772 1.00 64.53 H new ATOM 0 HD12 LEU A 115 15.220 -9.823 -4.325 1.00 64.53 H new ATOM 0 HD13 LEU A 115 14.104 -8.615 -3.644 1.00 64.53 H new ATOM 0 HD21 LEU A 115 16.261 -6.472 -3.148 1.00 62.31 H new ATOM 0 HD22 LEU A 115 15.015 -6.915 -1.957 1.00 62.31 H new ATOM 0 HD23 LEU A 115 16.737 -6.992 -1.514 1.00 62.31 H new ATOM 1854 N GLU A 116 17.255 -11.389 -3.868 1.00 34.40 N ATOM 1855 CA GLU A 116 17.188 -12.050 -5.166 1.00 62.21 C ATOM 1856 C GLU A 116 18.335 -13.043 -5.330 1.00 61.43 C ATOM 1857 O GLU A 116 18.260 -13.963 -6.144 1.00 64.40 O ATOM 1858 CB GLU A 116 17.230 -11.016 -6.293 1.00 12.44 C ATOM 1859 CG GLU A 116 16.232 -11.288 -7.406 1.00 43.40 C ATOM 1860 CD GLU A 116 16.804 -11.008 -8.782 1.00 54.44 C ATOM 1861 OE1 GLU A 116 16.299 -10.085 -9.457 1.00 24.21 O ATOM 1862 OE2 GLU A 116 17.754 -11.710 -9.185 1.00 72.32 O ATOM 0 H GLU A 116 18.053 -10.764 -3.753 1.00 34.40 H new ATOM 0 HA GLU A 116 16.246 -12.596 -5.219 1.00 62.21 H new ATOM 0 HB2 GLU A 116 17.036 -10.028 -5.876 1.00 12.44 H new ATOM 0 HB3 GLU A 116 18.235 -10.992 -6.715 1.00 12.44 H new ATOM 0 HG2 GLU A 116 15.911 -12.328 -7.355 1.00 43.40 H new ATOM 0 HG3 GLU A 116 15.346 -10.673 -7.253 1.00 43.40 H new