USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 75 GLN : amide:sc= -1.87 K(o=-3.5,f=-0.62) USER MOD Set 1.2: A 76 ASN : amide:sc= -1.61! K(o=-3.5!,f=-0.62) USER MOD Set 2.1: A 71 LYS NZ :NH3+ -179:sc= 0.903 (180deg=0) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.778 K(o=1.7,f=-2.6) USER MOD Set 3.1: A 55 LYS NZ :NH3+ -136:sc= -0.457 (180deg=-0.142) USER MOD Set 3.2: A 57 GLN : amide:sc= -0.683 K(o=-1.1,f=-0.13) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.307 (180deg=-0.969) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -83:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 82:sc= 0.585 USER MOD Single : A 36 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 44 TYR OH : rot -130:sc= -1.05 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 59 SER OG : rot -150:sc= 0 USER MOD Single : A 60 CYS SG : rot -3:sc= -3.5! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 129:sc= 0.287 USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 77 MET CE :methyl 164:sc= -0.215 (180deg=-1.14) USER MOD Single : A 79 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.9!) USER MOD Single : A 81 TYR OH : rot 100:sc= -0.878 USER MOD Single : A 90 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.665 14.224 7.294 1.00 14.21 N ATOM 242 CA ASP A 17 3.625 13.474 8.035 1.00 21.41 C ATOM 243 C ASP A 17 2.204 13.737 7.502 1.00 31.33 C ATOM 244 O ASP A 17 1.296 12.948 7.786 1.00 34.05 O ATOM 245 CB ASP A 17 3.692 13.800 9.554 1.00 53.15 C ATOM 246 CG ASP A 17 3.397 15.276 9.883 1.00 72.12 C ATOM 247 OD1 ASP A 17 4.299 16.118 9.705 1.00 2.45 O ATOM 248 OD2 ASP A 17 2.257 15.607 10.287 1.00 55.14 O ATOM 0 HA ASP A 17 3.836 12.416 7.879 1.00 21.41 H new ATOM 0 HB2 ASP A 17 2.979 13.169 10.084 1.00 53.15 H new ATOM 0 HB3 ASP A 17 4.683 13.544 9.928 1.00 53.15 H new ATOM 253 N GLY A 18 2.013 14.853 6.766 1.00 3.02 N ATOM 254 CA GLY A 18 0.741 15.139 6.099 1.00 30.01 C ATOM 255 C GLY A 18 0.434 14.117 5.006 1.00 71.45 C ATOM 256 O GLY A 18 -0.667 13.548 4.957 1.00 12.12 O ATOM 0 H GLY A 18 2.729 15.566 6.624 1.00 3.02 H new ATOM 0 HA2 GLY A 18 -0.064 15.138 6.834 1.00 30.01 H new ATOM 0 HA3 GLY A 18 0.775 16.138 5.664 1.00 30.01 H new ATOM 260 N VAL A 19 1.440 13.879 4.143 1.00 54.53 N ATOM 261 CA VAL A 19 1.376 12.866 3.073 1.00 4.25 C ATOM 262 C VAL A 19 1.239 11.454 3.689 1.00 3.35 C ATOM 263 O VAL A 19 0.362 10.683 3.310 1.00 10.22 O ATOM 264 CB VAL A 19 2.657 12.921 2.156 1.00 60.15 C ATOM 265 CG1 VAL A 19 2.552 11.913 0.990 1.00 42.15 C ATOM 266 CG2 VAL A 19 2.921 14.354 1.629 1.00 22.04 C ATOM 0 H VAL A 19 2.324 14.387 4.169 1.00 54.53 H new ATOM 0 HA VAL A 19 0.504 13.083 2.457 1.00 4.25 H new ATOM 0 HB VAL A 19 3.510 12.636 2.772 1.00 60.15 H new ATOM 0 HG11 VAL A 19 3.450 11.974 0.375 1.00 42.15 H new ATOM 0 HG12 VAL A 19 2.453 10.904 1.389 1.00 42.15 H new ATOM 0 HG13 VAL A 19 1.679 12.150 0.382 1.00 42.15 H new ATOM 0 HG21 VAL A 19 3.812 14.352 1.001 1.00 22.04 H new ATOM 0 HG22 VAL A 19 2.065 14.690 1.044 1.00 22.04 H new ATOM 0 HG23 VAL A 19 3.072 15.029 2.471 1.00 22.04 H new ATOM 276 N VAL A 20 2.102 11.187 4.680 1.00 21.15 N ATOM 277 CA VAL A 20 2.189 9.907 5.414 1.00 3.23 C ATOM 278 C VAL A 20 0.828 9.513 6.045 1.00 12.14 C ATOM 279 O VAL A 20 0.398 8.359 5.931 1.00 73.12 O ATOM 280 CB VAL A 20 3.330 10.027 6.503 1.00 22.21 C ATOM 281 CG1 VAL A 20 3.334 8.864 7.517 1.00 41.53 C ATOM 282 CG2 VAL A 20 4.719 10.158 5.816 1.00 33.32 C ATOM 0 H VAL A 20 2.782 11.874 5.006 1.00 21.15 H new ATOM 0 HA VAL A 20 2.439 9.107 4.717 1.00 3.23 H new ATOM 0 HB VAL A 20 3.119 10.930 7.076 1.00 22.21 H new ATOM 0 HG11 VAL A 20 4.141 9.010 8.235 1.00 41.53 H new ATOM 0 HG12 VAL A 20 2.380 8.838 8.044 1.00 41.53 H new ATOM 0 HG13 VAL A 20 3.483 7.922 6.990 1.00 41.53 H new ATOM 0 HG21 VAL A 20 5.495 10.240 6.577 1.00 33.32 H new ATOM 0 HG22 VAL A 20 4.905 9.278 5.201 1.00 33.32 H new ATOM 0 HG23 VAL A 20 4.732 11.049 5.188 1.00 33.32 H new ATOM 292 N ALA A 21 0.145 10.509 6.645 1.00 51.01 N ATOM 293 CA ALA A 21 -1.133 10.311 7.359 1.00 24.12 C ATOM 294 C ALA A 21 -2.265 9.891 6.408 1.00 34.51 C ATOM 295 O ALA A 21 -3.052 8.991 6.729 1.00 62.03 O ATOM 296 CB ALA A 21 -1.531 11.593 8.101 1.00 30.42 C ATOM 0 H ALA A 21 0.466 11.477 6.648 1.00 51.01 H new ATOM 0 HA ALA A 21 -0.981 9.504 8.076 1.00 24.12 H new ATOM 0 HB1 ALA A 21 -2.475 11.433 8.623 1.00 30.42 H new ATOM 0 HB2 ALA A 21 -0.756 11.851 8.823 1.00 30.42 H new ATOM 0 HB3 ALA A 21 -1.646 12.407 7.385 1.00 30.42 H new ATOM 302 N MET A 22 -2.352 10.569 5.243 1.00 41.14 N ATOM 303 CA MET A 22 -3.419 10.300 4.263 1.00 1.45 C ATOM 304 C MET A 22 -3.179 8.968 3.527 1.00 2.41 C ATOM 305 O MET A 22 -4.137 8.337 3.096 1.00 65.11 O ATOM 306 CB MET A 22 -3.614 11.474 3.269 1.00 1.53 C ATOM 307 CG MET A 22 -2.457 11.740 2.296 1.00 51.53 C ATOM 308 SD MET A 22 -2.847 13.031 1.089 1.00 63.54 S ATOM 309 CE MET A 22 -4.307 12.358 0.283 1.00 32.01 C ATOM 0 H MET A 22 -1.700 11.301 4.962 1.00 41.14 H new ATOM 0 HA MET A 22 -4.350 10.207 4.823 1.00 1.45 H new ATOM 0 HB2 MET A 22 -4.515 11.282 2.686 1.00 1.53 H new ATOM 0 HB3 MET A 22 -3.794 12.383 3.844 1.00 1.53 H new ATOM 0 HG2 MET A 22 -1.572 12.031 2.861 1.00 51.53 H new ATOM 0 HG3 MET A 22 -2.210 10.818 1.770 1.00 51.53 H new ATOM 0 HE1 MET A 22 -4.465 12.867 -0.668 1.00 32.01 H new ATOM 0 HE2 MET A 22 -4.165 11.292 0.105 1.00 32.01 H new ATOM 0 HE3 MET A 22 -5.177 12.506 0.923 1.00 32.01 H new ATOM 319 N ILE A 23 -1.900 8.529 3.413 1.00 14.10 N ATOM 320 CA ILE A 23 -1.576 7.188 2.879 1.00 55.15 C ATOM 321 C ILE A 23 -2.136 6.123 3.838 1.00 51.44 C ATOM 322 O ILE A 23 -2.853 5.225 3.402 1.00 52.41 O ATOM 323 CB ILE A 23 -0.028 6.948 2.667 1.00 21.13 C ATOM 324 CG1 ILE A 23 0.565 7.978 1.659 1.00 62.33 C ATOM 325 CG2 ILE A 23 0.249 5.499 2.182 1.00 12.53 C ATOM 326 CD1 ILE A 23 2.060 7.865 1.416 1.00 44.12 C ATOM 0 H ILE A 23 -1.085 9.081 3.682 1.00 14.10 H new ATOM 0 HA ILE A 23 -2.036 7.116 1.893 1.00 55.15 H new ATOM 0 HB ILE A 23 0.463 7.088 3.630 1.00 21.13 H new ATOM 0 HG12 ILE A 23 0.050 7.866 0.705 1.00 62.33 H new ATOM 0 HG13 ILE A 23 0.348 8.983 2.022 1.00 62.33 H new ATOM 0 HG21 ILE A 23 1.321 5.360 2.044 1.00 12.53 H new ATOM 0 HG22 ILE A 23 -0.116 4.790 2.926 1.00 12.53 H new ATOM 0 HG23 ILE A 23 -0.264 5.328 1.236 1.00 12.53 H new ATOM 0 HD11 ILE A 23 2.371 8.626 0.700 1.00 44.12 H new ATOM 0 HD12 ILE A 23 2.593 8.011 2.355 1.00 44.12 H new ATOM 0 HD13 ILE A 23 2.290 6.877 1.018 1.00 44.12 H new ATOM 338 N LYS A 24 -1.839 6.293 5.151 1.00 3.21 N ATOM 339 CA LYS A 24 -2.295 5.387 6.230 1.00 32.13 C ATOM 340 C LYS A 24 -3.810 5.136 6.171 1.00 35.44 C ATOM 341 O LYS A 24 -4.248 3.988 6.269 1.00 64.05 O ATOM 342 CB LYS A 24 -1.930 5.959 7.625 1.00 1.31 C ATOM 343 CG LYS A 24 -0.427 5.988 7.943 1.00 10.24 C ATOM 344 CD LYS A 24 -0.148 6.624 9.327 1.00 24.13 C ATOM 345 CE LYS A 24 1.333 6.583 9.709 1.00 32.20 C ATOM 346 NZ LYS A 24 1.589 7.164 11.056 1.00 30.10 N ATOM 0 H LYS A 24 -1.272 7.070 5.491 1.00 3.21 H new ATOM 0 HA LYS A 24 -1.781 4.438 6.076 1.00 32.13 H new ATOM 0 HB2 LYS A 24 -2.321 6.974 7.698 1.00 1.31 H new ATOM 0 HB3 LYS A 24 -2.436 5.367 8.387 1.00 1.31 H new ATOM 0 HG2 LYS A 24 -0.031 4.973 7.922 1.00 10.24 H new ATOM 0 HG3 LYS A 24 0.098 6.551 7.171 1.00 10.24 H new ATOM 0 HD2 LYS A 24 -0.489 7.659 9.322 1.00 24.13 H new ATOM 0 HD3 LYS A 24 -0.729 6.101 10.086 1.00 24.13 H new ATOM 0 HE2 LYS A 24 1.682 5.550 9.690 1.00 32.20 H new ATOM 0 HE3 LYS A 24 1.912 7.129 8.965 1.00 32.20 H new ATOM 0 HZ1 LYS A 24 2.606 7.113 11.269 1.00 30.10 H new ATOM 0 HZ2 LYS A 24 1.282 8.158 11.070 1.00 30.10 H new ATOM 0 HZ3 LYS A 24 1.058 6.628 11.772 1.00 30.10 H new ATOM 360 N GLU A 25 -4.596 6.224 5.994 1.00 55.33 N ATOM 361 CA GLU A 25 -6.060 6.130 5.991 1.00 3.30 C ATOM 362 C GLU A 25 -6.550 5.449 4.696 1.00 24.42 C ATOM 363 O GLU A 25 -7.402 4.591 4.768 1.00 21.42 O ATOM 364 CB GLU A 25 -6.741 7.513 6.202 1.00 14.42 C ATOM 365 CG GLU A 25 -6.857 8.398 4.951 1.00 52.51 C ATOM 366 CD GLU A 25 -7.571 9.725 5.218 1.00 31.14 C ATOM 367 OE1 GLU A 25 -6.922 10.663 5.725 1.00 22.04 O ATOM 368 OE2 GLU A 25 -8.782 9.841 4.933 1.00 54.13 O ATOM 0 H GLU A 25 -4.236 7.168 5.853 1.00 55.33 H new ATOM 0 HA GLU A 25 -6.353 5.512 6.839 1.00 3.30 H new ATOM 0 HB2 GLU A 25 -7.742 7.347 6.601 1.00 14.42 H new ATOM 0 HB3 GLU A 25 -6.182 8.060 6.961 1.00 14.42 H new ATOM 0 HG2 GLU A 25 -5.859 8.601 4.563 1.00 52.51 H new ATOM 0 HG3 GLU A 25 -7.395 7.852 4.176 1.00 52.51 H new ATOM 375 N LEU A 26 -5.959 5.806 3.525 1.00 31.00 N ATOM 376 CA LEU A 26 -6.355 5.241 2.208 1.00 23.44 C ATOM 377 C LEU A 26 -6.061 3.725 2.140 1.00 5.10 C ATOM 378 O LEU A 26 -6.714 2.992 1.395 1.00 54.20 O ATOM 379 CB LEU A 26 -5.645 5.997 1.051 1.00 72.55 C ATOM 380 CG LEU A 26 -6.091 7.477 0.822 1.00 40.11 C ATOM 381 CD1 LEU A 26 -5.153 8.201 -0.166 1.00 71.15 C ATOM 382 CD2 LEU A 26 -7.560 7.555 0.355 1.00 5.04 C ATOM 0 H LEU A 26 -5.202 6.487 3.467 1.00 31.00 H new ATOM 0 HA LEU A 26 -7.431 5.375 2.094 1.00 23.44 H new ATOM 0 HB2 LEU A 26 -4.572 5.988 1.242 1.00 72.55 H new ATOM 0 HB3 LEU A 26 -5.809 5.442 0.127 1.00 72.55 H new ATOM 0 HG LEU A 26 -6.021 7.991 1.780 1.00 40.11 H new ATOM 0 HD11 LEU A 26 -5.492 9.228 -0.303 1.00 71.15 H new ATOM 0 HD12 LEU A 26 -4.138 8.203 0.231 1.00 71.15 H new ATOM 0 HD13 LEU A 26 -5.166 7.684 -1.125 1.00 71.15 H new ATOM 0 HD21 LEU A 26 -7.839 8.598 0.205 1.00 5.04 H new ATOM 0 HD22 LEU A 26 -7.673 7.010 -0.582 1.00 5.04 H new ATOM 0 HD23 LEU A 26 -8.207 7.112 1.112 1.00 5.04 H new ATOM 394 N LEU A 27 -5.069 3.274 2.926 1.00 14.23 N ATOM 395 CA LEU A 27 -4.791 1.845 3.120 1.00 31.10 C ATOM 396 C LEU A 27 -5.853 1.236 4.049 1.00 63.32 C ATOM 397 O LEU A 27 -6.537 0.287 3.690 1.00 51.11 O ATOM 398 CB LEU A 27 -3.380 1.640 3.728 1.00 20.15 C ATOM 399 CG LEU A 27 -2.190 2.186 2.891 1.00 71.04 C ATOM 400 CD1 LEU A 27 -0.881 2.108 3.685 1.00 3.13 C ATOM 401 CD2 LEU A 27 -2.071 1.468 1.533 1.00 52.13 C ATOM 0 H LEU A 27 -4.440 3.889 3.442 1.00 14.23 H new ATOM 0 HA LEU A 27 -4.825 1.347 2.151 1.00 31.10 H new ATOM 0 HB2 LEU A 27 -3.356 2.115 4.709 1.00 20.15 H new ATOM 0 HB3 LEU A 27 -3.227 0.573 3.887 1.00 20.15 H new ATOM 0 HG LEU A 27 -2.390 3.236 2.679 1.00 71.04 H new ATOM 0 HD11 LEU A 27 -0.063 2.496 3.078 1.00 3.13 H new ATOM 0 HD12 LEU A 27 -0.971 2.702 4.594 1.00 3.13 H new ATOM 0 HD13 LEU A 27 -0.677 1.070 3.948 1.00 3.13 H new ATOM 0 HD21 LEU A 27 -1.228 1.878 0.977 1.00 52.13 H new ATOM 0 HD22 LEU A 27 -1.914 0.402 1.698 1.00 52.13 H new ATOM 0 HD23 LEU A 27 -2.988 1.615 0.962 1.00 52.13 H new ATOM 413 N ASP A 28 -6.010 1.851 5.230 1.00 3.10 N ATOM 414 CA ASP A 28 -6.809 1.292 6.343 1.00 61.35 C ATOM 415 C ASP A 28 -8.317 1.283 6.026 1.00 42.02 C ATOM 416 O ASP A 28 -9.067 0.494 6.603 1.00 20.32 O ATOM 417 CB ASP A 28 -6.509 2.075 7.658 1.00 74.54 C ATOM 418 CG ASP A 28 -7.014 1.356 8.926 1.00 1.40 C ATOM 419 OD1 ASP A 28 -6.424 0.321 9.296 1.00 21.04 O ATOM 420 OD2 ASP A 28 -7.968 1.826 9.577 1.00 52.32 O ATOM 0 H ASP A 28 -5.587 2.754 5.446 1.00 3.10 H new ATOM 0 HA ASP A 28 -6.516 0.251 6.480 1.00 61.35 H new ATOM 0 HB2 ASP A 28 -5.434 2.232 7.742 1.00 74.54 H new ATOM 0 HB3 ASP A 28 -6.971 3.060 7.599 1.00 74.54 H new ATOM 425 N THR A 29 -8.742 2.148 5.092 1.00 41.42 N ATOM 426 CA THR A 29 -10.139 2.248 4.645 1.00 62.12 C ATOM 427 C THR A 29 -10.400 1.331 3.434 1.00 60.03 C ATOM 428 O THR A 29 -11.461 0.703 3.350 1.00 64.11 O ATOM 429 CB THR A 29 -10.514 3.732 4.277 1.00 1.33 C ATOM 430 OG1 THR A 29 -9.604 4.241 3.284 1.00 30.25 O ATOM 431 CG2 THR A 29 -10.499 4.654 5.510 1.00 75.04 C ATOM 0 H THR A 29 -8.119 2.804 4.621 1.00 41.42 H new ATOM 0 HA THR A 29 -10.768 1.924 5.474 1.00 62.12 H new ATOM 0 HB THR A 29 -11.529 3.721 3.879 1.00 1.33 H new ATOM 0 HG1 THR A 29 -8.791 4.568 3.722 1.00 30.25 H new ATOM 0 HG21 THR A 29 -10.763 5.668 5.209 1.00 75.04 H new ATOM 0 HG22 THR A 29 -11.220 4.293 6.243 1.00 75.04 H new ATOM 0 HG23 THR A 29 -9.502 4.655 5.952 1.00 75.04 H new ATOM 439 N ARG A 30 -9.422 1.247 2.502 1.00 23.32 N ATOM 440 CA ARG A 30 -9.604 0.547 1.205 1.00 63.01 C ATOM 441 C ARG A 30 -8.789 -0.756 1.128 1.00 44.45 C ATOM 442 O ARG A 30 -9.358 -1.846 1.000 1.00 12.25 O ATOM 443 CB ARG A 30 -9.210 1.477 0.022 1.00 32.35 C ATOM 444 CG ARG A 30 -9.910 2.854 0.023 1.00 71.32 C ATOM 445 CD ARG A 30 -9.689 3.645 -1.273 1.00 64.40 C ATOM 446 NE ARG A 30 -10.293 2.965 -2.432 1.00 34.21 N ATOM 447 CZ ARG A 30 -10.392 3.468 -3.667 1.00 60.32 C ATOM 448 NH1 ARG A 30 -9.933 4.677 -3.955 1.00 72.43 N ATOM 449 NH2 ARG A 30 -10.970 2.754 -4.622 1.00 71.23 N ATOM 0 H ARG A 30 -8.496 1.656 2.623 1.00 23.32 H new ATOM 0 HA ARG A 30 -10.660 0.287 1.132 1.00 63.01 H new ATOM 0 HB2 ARG A 30 -8.131 1.633 0.044 1.00 32.35 H new ATOM 0 HB3 ARG A 30 -9.440 0.968 -0.914 1.00 32.35 H new ATOM 0 HG2 ARG A 30 -10.980 2.711 0.176 1.00 71.32 H new ATOM 0 HG3 ARG A 30 -9.544 3.440 0.866 1.00 71.32 H new ATOM 0 HD2 ARG A 30 -10.119 4.641 -1.170 1.00 64.40 H new ATOM 0 HD3 ARG A 30 -8.620 3.775 -1.443 1.00 64.40 H new ATOM 0 HE ARG A 30 -10.668 2.029 -2.279 1.00 34.21 H new ATOM 0 HH11 ARG A 30 -9.494 5.242 -3.228 1.00 72.43 H new ATOM 0 HH12 ARG A 30 -10.018 5.042 -4.904 1.00 72.43 H new ATOM 0 HH21 ARG A 30 -11.337 1.825 -4.413 1.00 71.23 H new ATOM 0 HH22 ARG A 30 -11.048 3.133 -5.566 1.00 71.23 H new ATOM 463 N ILE A 31 -7.450 -0.631 1.239 1.00 31.15 N ATOM 464 CA ILE A 31 -6.512 -1.710 0.879 1.00 73.25 C ATOM 465 C ILE A 31 -6.508 -2.819 1.942 1.00 62.33 C ATOM 466 O ILE A 31 -6.850 -3.958 1.620 1.00 12.32 O ATOM 467 CB ILE A 31 -5.053 -1.164 0.665 1.00 53.33 C ATOM 468 CG1 ILE A 31 -5.022 -0.056 -0.434 1.00 22.12 C ATOM 469 CG2 ILE A 31 -4.054 -2.301 0.330 1.00 31.42 C ATOM 470 CD1 ILE A 31 -5.485 -0.492 -1.819 1.00 31.14 C ATOM 0 H ILE A 31 -6.993 0.215 1.578 1.00 31.15 H new ATOM 0 HA ILE A 31 -6.859 -2.131 -0.065 1.00 73.25 H new ATOM 0 HB ILE A 31 -4.736 -0.718 1.608 1.00 53.33 H new ATOM 0 HG12 ILE A 31 -5.647 0.774 -0.106 1.00 22.12 H new ATOM 0 HG13 ILE A 31 -4.003 0.324 -0.513 1.00 22.12 H new ATOM 0 HG21 ILE A 31 -3.058 -1.881 0.190 1.00 31.42 H new ATOM 0 HG22 ILE A 31 -4.033 -3.020 1.149 1.00 31.42 H new ATOM 0 HG23 ILE A 31 -4.368 -2.803 -0.585 1.00 31.42 H new ATOM 0 HD11 ILE A 31 -5.424 0.352 -2.506 1.00 31.14 H new ATOM 0 HD12 ILE A 31 -4.847 -1.299 -2.179 1.00 31.14 H new ATOM 0 HD13 ILE A 31 -6.516 -0.842 -1.765 1.00 31.14 H new ATOM 482 N ARG A 32 -6.132 -2.460 3.206 1.00 22.00 N ATOM 483 CA ARG A 32 -6.039 -3.415 4.339 1.00 14.24 C ATOM 484 C ARG A 32 -7.298 -4.324 4.435 1.00 35.44 C ATOM 485 O ARG A 32 -7.115 -5.531 4.486 1.00 73.32 O ATOM 486 CB ARG A 32 -5.769 -2.723 5.714 1.00 71.22 C ATOM 487 CG ARG A 32 -4.478 -1.889 5.797 1.00 12.12 C ATOM 488 CD ARG A 32 -4.164 -1.407 7.224 1.00 4.15 C ATOM 489 NE ARG A 32 -3.842 -2.530 8.129 1.00 31.44 N ATOM 490 CZ ARG A 32 -3.898 -2.503 9.472 1.00 44.50 C ATOM 491 NH1 ARG A 32 -4.262 -1.402 10.131 1.00 21.52 N ATOM 492 NH2 ARG A 32 -3.595 -3.600 10.152 1.00 54.42 N ATOM 0 H ARG A 32 -5.887 -1.503 3.461 1.00 22.00 H new ATOM 0 HA ARG A 32 -5.172 -4.037 4.118 1.00 14.24 H new ATOM 0 HB2 ARG A 32 -6.614 -2.075 5.947 1.00 71.22 H new ATOM 0 HB3 ARG A 32 -5.734 -3.491 6.486 1.00 71.22 H new ATOM 0 HG2 ARG A 32 -3.643 -2.485 5.429 1.00 12.12 H new ATOM 0 HG3 ARG A 32 -4.567 -1.025 5.139 1.00 12.12 H new ATOM 0 HD2 ARG A 32 -3.325 -0.712 7.196 1.00 4.15 H new ATOM 0 HD3 ARG A 32 -5.019 -0.858 7.618 1.00 4.15 H new ATOM 0 HE ARG A 32 -3.551 -3.406 7.695 1.00 31.44 H new ATOM 0 HH11 ARG A 32 -4.505 -0.556 9.616 1.00 21.52 H new ATOM 0 HH12 ARG A 32 -4.297 -1.406 11.150 1.00 21.52 H new ATOM 0 HH21 ARG A 32 -3.324 -4.449 9.656 1.00 54.42 H new ATOM 0 HH22 ARG A 32 -3.633 -3.595 11.171 1.00 54.42 H new ATOM 506 N PRO A 33 -8.589 -3.773 4.448 1.00 11.44 N ATOM 507 CA PRO A 33 -9.831 -4.611 4.439 1.00 23.23 C ATOM 508 C PRO A 33 -9.835 -5.713 3.348 1.00 42.50 C ATOM 509 O PRO A 33 -10.124 -6.872 3.646 1.00 14.53 O ATOM 510 CB PRO A 33 -10.956 -3.572 4.187 1.00 32.40 C ATOM 511 CG PRO A 33 -10.438 -2.314 4.816 1.00 30.42 C ATOM 512 CD PRO A 33 -8.954 -2.316 4.527 1.00 72.11 C ATOM 0 HA PRO A 33 -9.941 -5.171 5.368 1.00 23.23 H new ATOM 0 HB2 PRO A 33 -11.143 -3.437 3.122 1.00 32.40 H new ATOM 0 HB3 PRO A 33 -11.897 -3.886 4.639 1.00 32.40 H new ATOM 0 HG2 PRO A 33 -10.921 -1.433 4.393 1.00 30.42 H new ATOM 0 HG3 PRO A 33 -10.631 -2.300 5.889 1.00 30.42 H new ATOM 0 HD2 PRO A 33 -8.730 -1.799 3.594 1.00 72.11 H new ATOM 0 HD3 PRO A 33 -8.395 -1.809 5.314 1.00 72.11 H new ATOM 520 N THR A 34 -9.467 -5.327 2.109 1.00 4.21 N ATOM 521 CA THR A 34 -9.442 -6.231 0.942 1.00 24.21 C ATOM 522 C THR A 34 -8.405 -7.364 1.136 1.00 71.11 C ATOM 523 O THR A 34 -8.695 -8.546 0.908 1.00 10.23 O ATOM 524 CB THR A 34 -9.109 -5.426 -0.367 1.00 25.14 C ATOM 525 OG1 THR A 34 -9.996 -4.299 -0.492 1.00 52.14 O ATOM 526 CG2 THR A 34 -9.214 -6.293 -1.637 1.00 22.11 C ATOM 0 H THR A 34 -9.177 -4.374 1.889 1.00 4.21 H new ATOM 0 HA THR A 34 -10.431 -6.680 0.847 1.00 24.21 H new ATOM 0 HB THR A 34 -8.076 -5.090 -0.277 1.00 25.14 H new ATOM 0 HG1 THR A 34 -9.663 -3.558 0.057 1.00 52.14 H new ATOM 0 HG21 THR A 34 -8.974 -5.688 -2.511 1.00 22.11 H new ATOM 0 HG22 THR A 34 -8.514 -7.125 -1.568 1.00 22.11 H new ATOM 0 HG23 THR A 34 -10.229 -6.680 -1.731 1.00 22.11 H new ATOM 534 N VAL A 35 -7.204 -6.970 1.587 1.00 30.31 N ATOM 535 CA VAL A 35 -6.056 -7.879 1.777 1.00 64.25 C ATOM 536 C VAL A 35 -6.307 -8.843 2.966 1.00 41.13 C ATOM 537 O VAL A 35 -5.907 -10.014 2.925 1.00 62.25 O ATOM 538 CB VAL A 35 -4.730 -7.051 1.984 1.00 30.14 C ATOM 539 CG1 VAL A 35 -3.485 -7.958 2.069 1.00 11.15 C ATOM 540 CG2 VAL A 35 -4.551 -6.015 0.851 1.00 2.13 C ATOM 0 H VAL A 35 -6.997 -6.002 1.833 1.00 30.31 H new ATOM 0 HA VAL A 35 -5.941 -8.485 0.879 1.00 64.25 H new ATOM 0 HB VAL A 35 -4.826 -6.530 2.936 1.00 30.14 H new ATOM 0 HG11 VAL A 35 -2.596 -7.343 2.212 1.00 11.15 H new ATOM 0 HG12 VAL A 35 -3.591 -8.643 2.910 1.00 11.15 H new ATOM 0 HG13 VAL A 35 -3.387 -8.529 1.146 1.00 11.15 H new ATOM 0 HG21 VAL A 35 -3.630 -5.454 1.013 1.00 2.13 H new ATOM 0 HG22 VAL A 35 -4.498 -6.530 -0.108 1.00 2.13 H new ATOM 0 HG23 VAL A 35 -5.398 -5.329 0.848 1.00 2.13 H new ATOM 550 N GLN A 36 -7.022 -8.336 3.995 1.00 63.24 N ATOM 551 CA GLN A 36 -7.436 -9.124 5.181 1.00 54.11 C ATOM 552 C GLN A 36 -8.407 -10.239 4.780 1.00 54.41 C ATOM 553 O GLN A 36 -8.304 -11.365 5.277 1.00 1.24 O ATOM 554 CB GLN A 36 -8.078 -8.202 6.261 1.00 72.22 C ATOM 555 CG GLN A 36 -7.070 -7.299 7.011 1.00 0.00 C ATOM 556 CD GLN A 36 -7.732 -6.229 7.893 1.00 0.12 C ATOM 557 OE1 GLN A 36 -8.839 -6.414 8.401 1.00 32.30 O ATOM 558 NE2 GLN A 36 -7.058 -5.102 8.085 1.00 12.33 N ATOM 0 H GLN A 36 -7.330 -7.364 4.028 1.00 63.24 H new ATOM 0 HA GLN A 36 -6.545 -9.583 5.609 1.00 54.11 H new ATOM 0 HB2 GLN A 36 -8.827 -7.571 5.783 1.00 72.22 H new ATOM 0 HB3 GLN A 36 -8.601 -8.824 6.988 1.00 72.22 H new ATOM 0 HG2 GLN A 36 -6.430 -7.924 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.425 -6.808 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.143 -4.975 7.652 1.00 12.33 H new ATOM 0 HE22 GLN A 36 -7.455 -4.363 8.665 1.00 12.33 H new ATOM 567 N GLU A 37 -9.339 -9.905 3.865 1.00 45.11 N ATOM 568 CA GLU A 37 -10.313 -10.867 3.313 1.00 43.12 C ATOM 569 C GLU A 37 -9.619 -11.912 2.420 1.00 25.44 C ATOM 570 O GLU A 37 -10.053 -13.068 2.360 1.00 63.20 O ATOM 571 CB GLU A 37 -11.416 -10.125 2.521 1.00 53.33 C ATOM 572 CG GLU A 37 -12.290 -9.190 3.380 1.00 5.30 C ATOM 573 CD GLU A 37 -13.350 -8.462 2.550 1.00 3.13 C ATOM 574 OE1 GLU A 37 -14.440 -9.025 2.332 1.00 74.01 O ATOM 575 OE2 GLU A 37 -13.078 -7.347 2.070 1.00 23.53 O ATOM 0 H GLU A 37 -9.437 -8.962 3.489 1.00 45.11 H new ATOM 0 HA GLU A 37 -10.776 -11.393 4.148 1.00 43.12 H new ATOM 0 HB2 GLU A 37 -10.948 -9.540 1.729 1.00 53.33 H new ATOM 0 HB3 GLU A 37 -12.058 -10.861 2.037 1.00 53.33 H new ATOM 0 HG2 GLU A 37 -12.779 -9.770 4.162 1.00 5.30 H new ATOM 0 HG3 GLU A 37 -11.654 -8.457 3.877 1.00 5.30 H new ATOM 582 N ASP A 38 -8.533 -11.494 1.735 1.00 24.22 N ATOM 583 CA ASP A 38 -7.685 -12.404 0.934 1.00 62.51 C ATOM 584 C ASP A 38 -6.859 -13.323 1.859 1.00 52.54 C ATOM 585 O ASP A 38 -6.468 -14.425 1.468 1.00 34.13 O ATOM 586 CB ASP A 38 -6.751 -11.579 0.002 1.00 4.01 C ATOM 587 CG ASP A 38 -5.860 -12.451 -0.911 1.00 55.12 C ATOM 588 OD1 ASP A 38 -6.389 -13.054 -1.870 1.00 31.32 O ATOM 589 OD2 ASP A 38 -4.634 -12.523 -0.692 1.00 1.14 O ATOM 0 H ASP A 38 -8.221 -10.523 1.721 1.00 24.22 H new ATOM 0 HA ASP A 38 -8.327 -13.032 0.316 1.00 62.51 H new ATOM 0 HB2 ASP A 38 -7.360 -10.922 -0.619 1.00 4.01 H new ATOM 0 HB3 ASP A 38 -6.114 -10.940 0.613 1.00 4.01 H new ATOM 594 N GLY A 39 -6.645 -12.876 3.106 1.00 31.30 N ATOM 595 CA GLY A 39 -6.015 -13.691 4.143 1.00 52.21 C ATOM 596 C GLY A 39 -4.840 -13.002 4.807 1.00 53.32 C ATOM 597 O GLY A 39 -4.453 -13.375 5.919 1.00 51.34 O ATOM 0 H GLY A 39 -6.905 -11.940 3.418 1.00 31.30 H new ATOM 0 HA2 GLY A 39 -6.757 -13.942 4.901 1.00 52.21 H new ATOM 0 HA3 GLY A 39 -5.678 -14.630 3.704 1.00 52.21 H new ATOM 601 N GLY A 40 -4.265 -12.000 4.125 1.00 1.14 N ATOM 602 CA GLY A 40 -3.100 -11.270 4.628 1.00 33.22 C ATOM 603 C GLY A 40 -3.455 -9.945 5.298 1.00 25.00 C ATOM 604 O GLY A 40 -4.449 -9.866 6.023 1.00 1.33 O ATOM 0 H GLY A 40 -4.595 -11.677 3.215 1.00 1.14 H new ATOM 0 HA2 GLY A 40 -2.568 -11.898 5.342 1.00 33.22 H new ATOM 0 HA3 GLY A 40 -2.416 -11.078 3.801 1.00 33.22 H new ATOM 608 N ASP A 41 -2.602 -8.930 5.066 1.00 5.12 N ATOM 609 CA ASP A 41 -2.758 -7.538 5.553 1.00 23.13 C ATOM 610 C ASP A 41 -1.569 -6.707 5.026 1.00 24.31 C ATOM 611 O ASP A 41 -0.535 -7.277 4.631 1.00 25.15 O ATOM 612 CB ASP A 41 -2.838 -7.462 7.110 1.00 1.32 C ATOM 613 CG ASP A 41 -3.077 -6.040 7.650 1.00 20.14 C ATOM 614 OD1 ASP A 41 -4.113 -5.435 7.306 1.00 40.05 O ATOM 615 OD2 ASP A 41 -2.232 -5.517 8.400 1.00 51.14 O ATOM 0 H ASP A 41 -1.753 -9.057 4.515 1.00 5.12 H new ATOM 0 HA ASP A 41 -3.700 -7.136 5.179 1.00 23.13 H new ATOM 0 HB2 ASP A 41 -3.642 -8.112 7.456 1.00 1.32 H new ATOM 0 HB3 ASP A 41 -1.911 -7.850 7.532 1.00 1.32 H new ATOM 620 N VAL A 42 -1.716 -5.366 4.992 1.00 0.11 N ATOM 621 CA VAL A 42 -0.632 -4.445 4.594 1.00 61.33 C ATOM 622 C VAL A 42 -0.340 -3.476 5.766 1.00 64.02 C ATOM 623 O VAL A 42 -1.191 -2.674 6.165 1.00 30.05 O ATOM 624 CB VAL A 42 -0.923 -3.677 3.233 1.00 71.51 C ATOM 625 CG1 VAL A 42 -1.071 -4.670 2.057 1.00 33.34 C ATOM 626 CG2 VAL A 42 -2.155 -2.755 3.308 1.00 34.53 C ATOM 0 H VAL A 42 -2.586 -4.893 5.239 1.00 0.11 H new ATOM 0 HA VAL A 42 0.258 -5.038 4.386 1.00 61.33 H new ATOM 0 HB VAL A 42 -0.058 -3.037 3.058 1.00 71.51 H new ATOM 0 HG11 VAL A 42 -1.270 -4.119 1.138 1.00 33.34 H new ATOM 0 HG12 VAL A 42 -0.150 -5.242 1.945 1.00 33.34 H new ATOM 0 HG13 VAL A 42 -1.898 -5.351 2.258 1.00 33.34 H new ATOM 0 HG21 VAL A 42 -2.299 -2.261 2.347 1.00 34.53 H new ATOM 0 HG22 VAL A 42 -3.038 -3.347 3.547 1.00 34.53 H new ATOM 0 HG23 VAL A 42 -2.001 -2.004 4.083 1.00 34.53 H new ATOM 636 N ILE A 43 0.854 -3.614 6.363 1.00 40.45 N ATOM 637 CA ILE A 43 1.281 -2.810 7.516 1.00 74.41 C ATOM 638 C ILE A 43 2.149 -1.656 6.994 1.00 73.02 C ATOM 639 O ILE A 43 3.203 -1.899 6.393 1.00 41.30 O ATOM 640 CB ILE A 43 2.096 -3.649 8.591 1.00 13.14 C ATOM 641 CG1 ILE A 43 1.268 -4.856 9.172 1.00 25.20 C ATOM 642 CG2 ILE A 43 2.606 -2.737 9.742 1.00 40.33 C ATOM 643 CD1 ILE A 43 1.084 -6.047 8.236 1.00 20.32 C ATOM 0 H ILE A 43 1.553 -4.291 6.057 1.00 40.45 H new ATOM 0 HA ILE A 43 0.389 -2.443 8.024 1.00 74.41 H new ATOM 0 HB ILE A 43 2.955 -4.070 8.068 1.00 13.14 H new ATOM 0 HG12 ILE A 43 1.759 -5.205 10.081 1.00 25.20 H new ATOM 0 HG13 ILE A 43 0.283 -4.490 9.462 1.00 25.20 H new ATOM 0 HG21 ILE A 43 3.160 -3.337 10.463 1.00 40.33 H new ATOM 0 HG22 ILE A 43 3.259 -1.966 9.333 1.00 40.33 H new ATOM 0 HG23 ILE A 43 1.756 -2.267 10.238 1.00 40.33 H new ATOM 0 HD11 ILE A 43 0.500 -6.818 8.739 1.00 20.32 H new ATOM 0 HD12 ILE A 43 0.561 -5.725 7.336 1.00 20.32 H new ATOM 0 HD13 ILE A 43 2.060 -6.450 7.964 1.00 20.32 H new ATOM 655 N TYR A 44 1.691 -0.412 7.207 1.00 43.42 N ATOM 656 CA TYR A 44 2.408 0.785 6.764 1.00 72.41 C ATOM 657 C TYR A 44 3.722 0.939 7.558 1.00 2.14 C ATOM 658 O TYR A 44 3.703 1.169 8.773 1.00 60.41 O ATOM 659 CB TYR A 44 1.520 2.045 6.910 1.00 64.43 C ATOM 660 CG TYR A 44 2.185 3.329 6.389 1.00 2.34 C ATOM 661 CD1 TYR A 44 2.216 3.620 5.023 1.00 1.32 C ATOM 662 CD2 TYR A 44 2.769 4.253 7.259 1.00 12.51 C ATOM 663 CE1 TYR A 44 2.816 4.765 4.550 1.00 41.44 C ATOM 664 CE2 TYR A 44 3.365 5.396 6.784 1.00 45.44 C ATOM 665 CZ TYR A 44 3.374 5.654 5.434 1.00 2.33 C ATOM 666 OH TYR A 44 3.959 6.806 4.971 1.00 50.32 O ATOM 0 H TYR A 44 0.815 -0.213 7.690 1.00 43.42 H new ATOM 0 HA TYR A 44 2.653 0.674 5.708 1.00 72.41 H new ATOM 0 HB2 TYR A 44 0.586 1.885 6.372 1.00 64.43 H new ATOM 0 HB3 TYR A 44 1.264 2.179 7.961 1.00 64.43 H new ATOM 0 HD1 TYR A 44 1.760 2.933 4.325 1.00 1.32 H new ATOM 0 HD2 TYR A 44 2.752 4.066 8.322 1.00 12.51 H new ATOM 0 HE1 TYR A 44 2.847 4.963 3.489 1.00 41.44 H new ATOM 0 HE2 TYR A 44 3.826 6.091 7.470 1.00 45.44 H new ATOM 0 HH TYR A 44 4.851 6.901 5.365 1.00 50.32 H new ATOM 676 N LYS A 45 4.849 0.769 6.855 1.00 33.11 N ATOM 677 CA LYS A 45 6.205 0.832 7.435 1.00 71.13 C ATOM 678 C LYS A 45 6.841 2.209 7.225 1.00 3.11 C ATOM 679 O LYS A 45 7.620 2.664 8.080 1.00 64.24 O ATOM 680 CB LYS A 45 7.085 -0.283 6.815 1.00 42.33 C ATOM 681 CG LYS A 45 6.656 -1.703 7.229 1.00 34.04 C ATOM 682 CD LYS A 45 6.861 -1.948 8.741 1.00 45.22 C ATOM 683 CE LYS A 45 6.444 -3.355 9.171 1.00 3.04 C ATOM 684 NZ LYS A 45 6.821 -3.641 10.579 1.00 50.32 N ATOM 0 H LYS A 45 4.849 0.581 5.852 1.00 33.11 H new ATOM 0 HA LYS A 45 6.130 0.673 8.511 1.00 71.13 H new ATOM 0 HB2 LYS A 45 7.048 -0.203 5.729 1.00 42.33 H new ATOM 0 HB3 LYS A 45 8.122 -0.124 7.111 1.00 42.33 H new ATOM 0 HG2 LYS A 45 5.607 -1.854 6.976 1.00 34.04 H new ATOM 0 HG3 LYS A 45 7.229 -2.436 6.661 1.00 34.04 H new ATOM 0 HD2 LYS A 45 7.910 -1.792 8.992 1.00 45.22 H new ATOM 0 HD3 LYS A 45 6.286 -1.214 9.305 1.00 45.22 H new ATOM 0 HE2 LYS A 45 5.366 -3.465 9.055 1.00 3.04 H new ATOM 0 HE3 LYS A 45 6.912 -4.088 8.514 1.00 3.04 H new ATOM 0 HZ1 LYS A 45 6.520 -4.604 10.830 1.00 50.32 H new ATOM 0 HZ2 LYS A 45 7.853 -3.562 10.685 1.00 50.32 H new ATOM 0 HZ3 LYS A 45 6.354 -2.958 11.209 1.00 50.32 H new ATOM 698 N GLY A 46 6.522 2.874 6.103 1.00 74.41 N ATOM 699 CA GLY A 46 7.059 4.214 5.847 1.00 14.11 C ATOM 700 C GLY A 46 6.813 4.712 4.438 1.00 24.24 C ATOM 701 O GLY A 46 6.042 4.110 3.683 1.00 23.11 O ATOM 0 H GLY A 46 5.907 2.512 5.374 1.00 74.41 H new ATOM 0 HA2 GLY A 46 6.613 4.915 6.553 1.00 14.11 H new ATOM 0 HA3 GLY A 46 8.132 4.208 6.038 1.00 14.11 H new ATOM 705 N PHE A 47 7.461 5.845 4.108 1.00 51.53 N ATOM 706 CA PHE A 47 7.370 6.490 2.789 1.00 21.54 C ATOM 707 C PHE A 47 8.663 7.285 2.561 1.00 42.03 C ATOM 708 O PHE A 47 8.879 8.328 3.189 1.00 72.03 O ATOM 709 CB PHE A 47 6.120 7.409 2.778 1.00 22.03 C ATOM 710 CG PHE A 47 5.800 8.089 1.456 1.00 3.23 C ATOM 711 CD1 PHE A 47 5.484 7.341 0.333 1.00 53.43 C ATOM 712 CD2 PHE A 47 5.784 9.477 1.344 1.00 52.14 C ATOM 713 CE1 PHE A 47 5.163 7.950 -0.861 1.00 4.23 C ATOM 714 CE2 PHE A 47 5.461 10.083 0.148 1.00 32.44 C ATOM 715 CZ PHE A 47 5.151 9.320 -0.952 1.00 71.13 C ATOM 0 H PHE A 47 8.069 6.342 4.759 1.00 51.53 H new ATOM 0 HA PHE A 47 7.263 5.761 1.985 1.00 21.54 H new ATOM 0 HB2 PHE A 47 5.256 6.816 3.076 1.00 22.03 H new ATOM 0 HB3 PHE A 47 6.255 8.180 3.536 1.00 22.03 H new ATOM 0 HD1 PHE A 47 5.489 6.263 0.394 1.00 53.43 H new ATOM 0 HD2 PHE A 47 6.027 10.085 2.203 1.00 52.14 H new ATOM 0 HE1 PHE A 47 4.921 7.349 -1.725 1.00 4.23 H new ATOM 0 HE2 PHE A 47 5.452 11.161 0.076 1.00 32.44 H new ATOM 0 HZ PHE A 47 4.898 9.797 -1.887 1.00 71.13 H new ATOM 725 N GLU A 48 9.512 6.786 1.647 1.00 75.44 N ATOM 726 CA GLU A 48 10.877 7.314 1.415 1.00 10.10 C ATOM 727 C GLU A 48 11.109 7.431 -0.103 1.00 72.13 C ATOM 728 O GLU A 48 10.939 6.436 -0.814 1.00 11.32 O ATOM 729 CB GLU A 48 11.959 6.360 2.023 1.00 10.02 C ATOM 730 CG GLU A 48 11.787 5.981 3.516 1.00 41.23 C ATOM 731 CD GLU A 48 11.805 7.180 4.484 1.00 25.30 C ATOM 732 OE1 GLU A 48 12.785 7.953 4.483 1.00 21.41 O ATOM 733 OE2 GLU A 48 10.846 7.352 5.259 1.00 23.11 O ATOM 0 H GLU A 48 9.274 6.000 1.042 1.00 75.44 H new ATOM 0 HA GLU A 48 10.964 8.288 1.897 1.00 10.10 H new ATOM 0 HB2 GLU A 48 11.971 5.441 1.437 1.00 10.02 H new ATOM 0 HB3 GLU A 48 12.935 6.829 1.900 1.00 10.02 H new ATOM 0 HG2 GLU A 48 10.845 5.447 3.636 1.00 41.23 H new ATOM 0 HG3 GLU A 48 12.583 5.291 3.797 1.00 41.23 H new ATOM 740 N ASP A 49 11.486 8.639 -0.579 1.00 41.44 N ATOM 741 CA ASP A 49 11.818 8.922 -2.006 1.00 70.42 C ATOM 742 C ASP A 49 10.563 8.789 -2.906 1.00 51.05 C ATOM 743 O ASP A 49 10.651 8.588 -4.125 1.00 1.45 O ATOM 744 CB ASP A 49 13.007 8.019 -2.476 1.00 42.33 C ATOM 745 CG ASP A 49 13.606 8.406 -3.840 1.00 22.20 C ATOM 746 OD1 ASP A 49 14.116 9.542 -3.974 1.00 74.21 O ATOM 747 OD2 ASP A 49 13.563 7.585 -4.787 1.00 41.34 O ATOM 0 H ASP A 49 11.571 9.460 0.020 1.00 41.44 H new ATOM 0 HA ASP A 49 12.149 9.957 -2.098 1.00 70.42 H new ATOM 0 HB2 ASP A 49 13.795 8.058 -1.724 1.00 42.33 H new ATOM 0 HB3 ASP A 49 12.664 6.986 -2.525 1.00 42.33 H new ATOM 752 N GLY A 50 9.382 8.968 -2.290 1.00 2.32 N ATOM 753 CA GLY A 50 8.104 8.790 -2.976 1.00 14.43 C ATOM 754 C GLY A 50 7.682 7.331 -3.080 1.00 31.34 C ATOM 755 O GLY A 50 6.735 7.002 -3.797 1.00 25.22 O ATOM 0 H GLY A 50 9.293 9.238 -1.310 1.00 2.32 H new ATOM 0 HA2 GLY A 50 7.333 9.349 -2.446 1.00 14.43 H new ATOM 0 HA3 GLY A 50 8.173 9.215 -3.978 1.00 14.43 H new ATOM 759 N ILE A 51 8.380 6.452 -2.347 1.00 72.52 N ATOM 760 CA ILE A 51 8.153 5.001 -2.386 1.00 44.10 C ATOM 761 C ILE A 51 7.491 4.546 -1.067 1.00 5.44 C ATOM 762 O ILE A 51 8.089 4.672 0.010 1.00 60.44 O ATOM 763 CB ILE A 51 9.508 4.232 -2.620 1.00 35.50 C ATOM 764 CG1 ILE A 51 10.299 4.826 -3.836 1.00 72.02 C ATOM 765 CG2 ILE A 51 9.266 2.724 -2.811 1.00 53.55 C ATOM 766 CD1 ILE A 51 9.580 4.767 -5.176 1.00 23.23 C ATOM 0 H ILE A 51 9.123 6.730 -1.706 1.00 72.52 H new ATOM 0 HA ILE A 51 7.488 4.768 -3.217 1.00 44.10 H new ATOM 0 HB ILE A 51 10.118 4.366 -1.726 1.00 35.50 H new ATOM 0 HG12 ILE A 51 10.539 5.867 -3.618 1.00 72.02 H new ATOM 0 HG13 ILE A 51 11.245 4.293 -3.927 1.00 72.02 H new ATOM 0 HG21 ILE A 51 10.219 2.220 -2.970 1.00 53.55 H new ATOM 0 HG22 ILE A 51 8.785 2.317 -1.922 1.00 53.55 H new ATOM 0 HG23 ILE A 51 8.623 2.566 -3.676 1.00 53.55 H new ATOM 0 HD11 ILE A 51 10.214 5.203 -5.948 1.00 23.23 H new ATOM 0 HD12 ILE A 51 9.364 3.729 -5.428 1.00 23.23 H new ATOM 0 HD13 ILE A 51 8.647 5.327 -5.113 1.00 23.23 H new ATOM 778 N VAL A 52 6.255 4.024 -1.166 1.00 14.11 N ATOM 779 CA VAL A 52 5.446 3.609 -0.007 1.00 32.21 C ATOM 780 C VAL A 52 5.909 2.223 0.471 1.00 33.52 C ATOM 781 O VAL A 52 5.659 1.217 -0.204 1.00 74.12 O ATOM 782 CB VAL A 52 3.905 3.552 -0.348 1.00 42.21 C ATOM 783 CG1 VAL A 52 3.054 3.360 0.929 1.00 54.33 C ATOM 784 CG2 VAL A 52 3.444 4.794 -1.141 1.00 22.13 C ATOM 0 H VAL A 52 5.786 3.877 -2.060 1.00 14.11 H new ATOM 0 HA VAL A 52 5.588 4.353 0.777 1.00 32.21 H new ATOM 0 HB VAL A 52 3.751 2.683 -0.988 1.00 42.21 H new ATOM 0 HG11 VAL A 52 1.998 3.325 0.661 1.00 54.33 H new ATOM 0 HG12 VAL A 52 3.336 2.427 1.417 1.00 54.33 H new ATOM 0 HG13 VAL A 52 3.228 4.193 1.611 1.00 54.33 H new ATOM 0 HG21 VAL A 52 2.378 4.714 -1.355 1.00 22.13 H new ATOM 0 HG22 VAL A 52 3.630 5.692 -0.551 1.00 22.13 H new ATOM 0 HG23 VAL A 52 3.998 4.854 -2.078 1.00 22.13 H new ATOM 794 N GLN A 53 6.588 2.176 1.622 1.00 45.20 N ATOM 795 CA GLN A 53 7.077 0.917 2.201 1.00 43.53 C ATOM 796 C GLN A 53 5.944 0.243 2.979 1.00 44.12 C ATOM 797 O GLN A 53 5.461 0.785 3.986 1.00 23.44 O ATOM 798 CB GLN A 53 8.301 1.174 3.109 1.00 20.30 C ATOM 799 CG GLN A 53 9.554 1.618 2.329 1.00 41.41 C ATOM 800 CD GLN A 53 10.778 1.865 3.209 1.00 62.23 C ATOM 801 OE1 GLN A 53 10.942 1.255 4.270 1.00 61.20 O ATOM 802 NE2 GLN A 53 11.660 2.741 2.757 1.00 33.55 N ATOM 0 H GLN A 53 6.814 3.002 2.176 1.00 45.20 H new ATOM 0 HA GLN A 53 7.398 0.251 1.400 1.00 43.53 H new ATOM 0 HB2 GLN A 53 8.047 1.940 3.842 1.00 20.30 H new ATOM 0 HB3 GLN A 53 8.530 0.265 3.665 1.00 20.30 H new ATOM 0 HG2 GLN A 53 9.799 0.855 1.590 1.00 41.41 H new ATOM 0 HG3 GLN A 53 9.323 2.531 1.780 1.00 41.41 H new ATOM 0 HE21 GLN A 53 11.491 3.226 1.876 1.00 33.55 H new ATOM 0 HE22 GLN A 53 12.509 2.931 3.289 1.00 33.55 H new ATOM 811 N LEU A 54 5.507 -0.921 2.473 1.00 10.31 N ATOM 812 CA LEU A 54 4.397 -1.703 3.031 1.00 44.33 C ATOM 813 C LEU A 54 4.851 -3.135 3.284 1.00 11.13 C ATOM 814 O LEU A 54 5.584 -3.720 2.478 1.00 61.23 O ATOM 815 CB LEU A 54 3.181 -1.703 2.064 1.00 23.34 C ATOM 816 CG LEU A 54 2.537 -0.317 1.787 1.00 60.45 C ATOM 817 CD1 LEU A 54 1.347 -0.434 0.830 1.00 34.15 C ATOM 818 CD2 LEU A 54 2.128 0.373 3.097 1.00 52.43 C ATOM 0 H LEU A 54 5.925 -1.352 1.648 1.00 10.31 H new ATOM 0 HA LEU A 54 4.092 -1.245 3.972 1.00 44.33 H new ATOM 0 HB2 LEU A 54 3.497 -2.132 1.113 1.00 23.34 H new ATOM 0 HB3 LEU A 54 2.416 -2.363 2.473 1.00 23.34 H new ATOM 0 HG LEU A 54 3.289 0.305 1.301 1.00 60.45 H new ATOM 0 HD11 LEU A 54 0.920 0.554 0.658 1.00 34.15 H new ATOM 0 HD12 LEU A 54 1.682 -0.855 -0.118 1.00 34.15 H new ATOM 0 HD13 LEU A 54 0.590 -1.085 1.268 1.00 34.15 H new ATOM 0 HD21 LEU A 54 1.680 1.341 2.874 1.00 52.43 H new ATOM 0 HD22 LEU A 54 1.405 -0.248 3.625 1.00 52.43 H new ATOM 0 HD23 LEU A 54 3.009 0.516 3.723 1.00 52.43 H new ATOM 830 N LYS A 55 4.399 -3.690 4.406 1.00 71.23 N ATOM 831 CA LYS A 55 4.657 -5.073 4.773 1.00 12.34 C ATOM 832 C LYS A 55 3.492 -5.936 4.280 1.00 74.43 C ATOM 833 O LYS A 55 2.368 -5.792 4.779 1.00 23.45 O ATOM 834 CB LYS A 55 4.810 -5.215 6.303 1.00 33.12 C ATOM 835 CG LYS A 55 5.172 -6.650 6.765 1.00 43.40 C ATOM 836 CD LYS A 55 4.895 -6.888 8.262 1.00 44.55 C ATOM 837 CE LYS A 55 5.326 -8.292 8.711 1.00 5.43 C ATOM 838 NZ LYS A 55 4.700 -9.368 7.888 1.00 72.42 N ATOM 0 H LYS A 55 3.838 -3.184 5.091 1.00 71.23 H new ATOM 0 HA LYS A 55 5.588 -5.401 4.311 1.00 12.34 H new ATOM 0 HB2 LYS A 55 5.582 -4.527 6.647 1.00 33.12 H new ATOM 0 HB3 LYS A 55 3.878 -4.913 6.782 1.00 33.12 H new ATOM 0 HG2 LYS A 55 4.603 -7.370 6.177 1.00 43.40 H new ATOM 0 HG3 LYS A 55 6.227 -6.836 6.562 1.00 43.40 H new ATOM 0 HD2 LYS A 55 5.425 -6.140 8.852 1.00 44.55 H new ATOM 0 HD3 LYS A 55 3.831 -6.755 8.459 1.00 44.55 H new ATOM 0 HE2 LYS A 55 6.411 -8.374 8.647 1.00 5.43 H new ATOM 0 HE3 LYS A 55 5.056 -8.435 9.757 1.00 5.43 H new ATOM 0 HZ1 LYS A 55 4.363 -10.130 8.511 1.00 72.42 H new ATOM 0 HZ2 LYS A 55 3.897 -8.976 7.356 1.00 72.42 H new ATOM 0 HZ3 LYS A 55 5.403 -9.749 7.223 1.00 72.42 H new ATOM 852 N LEU A 56 3.748 -6.817 3.309 1.00 0.12 N ATOM 853 CA LEU A 56 2.717 -7.732 2.798 1.00 52.31 C ATOM 854 C LEU A 56 2.747 -9.019 3.645 1.00 24.32 C ATOM 855 O LEU A 56 3.826 -9.542 3.952 1.00 52.41 O ATOM 856 CB LEU A 56 2.916 -8.067 1.287 1.00 25.25 C ATOM 857 CG LEU A 56 3.080 -6.866 0.293 1.00 22.44 C ATOM 858 CD1 LEU A 56 2.982 -7.338 -1.173 1.00 0.05 C ATOM 859 CD2 LEU A 56 2.098 -5.719 0.581 1.00 53.41 C ATOM 0 H LEU A 56 4.658 -6.918 2.860 1.00 0.12 H new ATOM 0 HA LEU A 56 1.746 -7.243 2.879 1.00 52.31 H new ATOM 0 HB2 LEU A 56 3.798 -8.701 1.197 1.00 25.25 H new ATOM 0 HB3 LEU A 56 2.062 -8.660 0.959 1.00 25.25 H new ATOM 0 HG LEU A 56 4.080 -6.462 0.452 1.00 22.44 H new ATOM 0 HD11 LEU A 56 3.099 -6.483 -1.839 1.00 0.05 H new ATOM 0 HD12 LEU A 56 3.768 -8.066 -1.374 1.00 0.05 H new ATOM 0 HD13 LEU A 56 2.009 -7.799 -1.343 1.00 0.05 H new ATOM 0 HD21 LEU A 56 2.257 -4.915 -0.138 1.00 53.41 H new ATOM 0 HD22 LEU A 56 1.075 -6.086 0.495 1.00 53.41 H new ATOM 0 HD23 LEU A 56 2.265 -5.342 1.590 1.00 53.41 H new ATOM 871 N GLN A 57 1.563 -9.495 4.037 1.00 43.04 N ATOM 872 CA GLN A 57 1.381 -10.769 4.767 1.00 14.32 C ATOM 873 C GLN A 57 1.076 -11.904 3.759 1.00 65.23 C ATOM 874 O GLN A 57 0.961 -11.651 2.547 1.00 54.11 O ATOM 875 CB GLN A 57 0.215 -10.636 5.782 1.00 64.33 C ATOM 876 CG GLN A 57 0.449 -9.705 6.992 1.00 15.14 C ATOM 877 CD GLN A 57 1.387 -10.290 8.055 1.00 53.10 C ATOM 878 OE1 GLN A 57 1.534 -11.507 8.180 1.00 74.43 O ATOM 879 NE2 GLN A 57 1.972 -9.433 8.883 1.00 40.35 N ATOM 0 H GLN A 57 0.686 -9.006 3.858 1.00 43.04 H new ATOM 0 HA GLN A 57 2.296 -11.006 5.310 1.00 14.32 H new ATOM 0 HB2 GLN A 57 -0.664 -10.281 5.245 1.00 64.33 H new ATOM 0 HB3 GLN A 57 -0.022 -11.631 6.159 1.00 64.33 H new ATOM 0 HG2 GLN A 57 0.862 -8.761 6.637 1.00 15.14 H new ATOM 0 HG3 GLN A 57 -0.512 -9.478 7.455 1.00 15.14 H new ATOM 0 HE21 GLN A 57 1.835 -8.430 8.759 1.00 40.35 H new ATOM 0 HE22 GLN A 57 2.558 -9.778 9.643 1.00 40.35 H new ATOM 888 N GLY A 58 0.939 -13.146 4.285 1.00 41.15 N ATOM 889 CA GLY A 58 0.621 -14.345 3.481 1.00 22.01 C ATOM 890 C GLY A 58 -0.631 -14.212 2.610 1.00 73.44 C ATOM 891 O GLY A 58 -1.409 -13.263 2.775 1.00 43.24 O ATOM 0 H GLY A 58 1.047 -13.341 5.280 1.00 41.15 H new ATOM 0 HA2 GLY A 58 1.472 -14.573 2.839 1.00 22.01 H new ATOM 0 HA3 GLY A 58 0.492 -15.194 4.153 1.00 22.01 H new ATOM 895 N SER A 59 -0.797 -15.188 1.687 1.00 44.42 N ATOM 896 CA SER A 59 -1.837 -15.210 0.621 1.00 64.42 C ATOM 897 C SER A 59 -1.476 -14.254 -0.539 1.00 25.11 C ATOM 898 O SER A 59 -1.443 -14.661 -1.710 1.00 21.00 O ATOM 899 CB SER A 59 -3.270 -14.935 1.159 1.00 1.04 C ATOM 900 OG SER A 59 -3.631 -15.868 2.166 1.00 72.44 O ATOM 0 H SER A 59 -0.194 -16.010 1.659 1.00 44.42 H new ATOM 0 HA SER A 59 -1.850 -16.227 0.230 1.00 64.42 H new ATOM 0 HB2 SER A 59 -3.321 -13.924 1.562 1.00 1.04 H new ATOM 0 HB3 SER A 59 -3.985 -14.988 0.338 1.00 1.04 H new ATOM 0 HG SER A 59 -4.601 -16.005 2.152 1.00 72.44 H new ATOM 906 N CYS A 60 -1.198 -12.984 -0.202 1.00 60.10 N ATOM 907 CA CYS A 60 -0.782 -11.950 -1.171 1.00 73.23 C ATOM 908 C CYS A 60 0.681 -12.143 -1.617 1.00 21.21 C ATOM 909 O CYS A 60 1.043 -11.796 -2.749 1.00 41.40 O ATOM 910 CB CYS A 60 -0.971 -10.565 -0.541 1.00 10.32 C ATOM 911 SG CYS A 60 -2.670 -10.247 -0.035 1.00 35.15 S ATOM 0 H CYS A 60 -1.255 -12.641 0.757 1.00 60.10 H new ATOM 0 HA CYS A 60 -1.405 -12.039 -2.061 1.00 73.23 H new ATOM 0 HB2 CYS A 60 -0.317 -10.474 0.326 1.00 10.32 H new ATOM 0 HB3 CYS A 60 -0.662 -9.802 -1.255 1.00 10.32 H new ATOM 0 HG CYS A 60 -3.420 -11.253 -0.376 1.00 35.15 H new ATOM 917 N THR A 61 1.514 -12.690 -0.708 1.00 5.13 N ATOM 918 CA THR A 61 2.931 -12.984 -0.985 1.00 53.23 C ATOM 919 C THR A 61 3.102 -14.282 -1.797 1.00 45.32 C ATOM 920 O THR A 61 4.209 -14.581 -2.267 1.00 52.45 O ATOM 921 CB THR A 61 3.744 -13.075 0.345 1.00 43.41 C ATOM 922 OG1 THR A 61 3.102 -14.001 1.244 1.00 43.42 O ATOM 923 CG2 THR A 61 3.884 -11.703 1.025 1.00 55.25 C ATOM 0 H THR A 61 1.222 -12.939 0.237 1.00 5.13 H new ATOM 0 HA THR A 61 3.318 -12.161 -1.586 1.00 53.23 H new ATOM 0 HB THR A 61 4.746 -13.428 0.100 1.00 43.41 H new ATOM 0 HG1 THR A 61 3.615 -14.057 2.077 1.00 43.42 H new ATOM 0 HG21 THR A 61 4.456 -11.810 1.947 1.00 55.25 H new ATOM 0 HG22 THR A 61 4.401 -11.016 0.355 1.00 55.25 H new ATOM 0 HG23 THR A 61 2.894 -11.309 1.256 1.00 55.25 H new ATOM 931 N SER A 62 2.001 -15.049 -1.944 1.00 21.10 N ATOM 932 CA SER A 62 1.979 -16.279 -2.743 1.00 32.32 C ATOM 933 C SER A 62 2.171 -15.939 -4.232 1.00 1.32 C ATOM 934 O SER A 62 1.277 -15.336 -4.837 1.00 62.13 O ATOM 935 CB SER A 62 0.646 -17.036 -2.531 1.00 41.43 C ATOM 936 OG SER A 62 0.409 -17.284 -1.157 1.00 75.40 O ATOM 0 H SER A 62 1.105 -14.827 -1.509 1.00 21.10 H new ATOM 0 HA SER A 62 2.796 -16.924 -2.420 1.00 32.32 H new ATOM 0 HB2 SER A 62 -0.176 -16.452 -2.945 1.00 41.43 H new ATOM 0 HB3 SER A 62 0.671 -17.981 -3.074 1.00 41.43 H new ATOM 0 HG SER A 62 -0.440 -17.762 -1.053 1.00 75.40 H new ATOM 942 N CYS A 63 3.362 -16.291 -4.777 1.00 21.42 N ATOM 943 CA CYS A 63 3.753 -16.064 -6.192 1.00 12.34 C ATOM 944 C CYS A 63 4.049 -14.557 -6.468 1.00 73.21 C ATOM 945 O CYS A 63 3.310 -13.678 -5.986 1.00 12.50 O ATOM 946 CB CYS A 63 2.692 -16.618 -7.183 1.00 34.02 C ATOM 947 SG CYS A 63 2.407 -18.388 -7.022 1.00 40.11 S ATOM 0 H CYS A 63 4.093 -16.750 -4.234 1.00 21.42 H new ATOM 0 HA CYS A 63 4.675 -16.620 -6.360 1.00 12.34 H new ATOM 0 HB2 CYS A 63 1.751 -16.091 -7.026 1.00 34.02 H new ATOM 0 HB3 CYS A 63 3.012 -16.402 -8.202 1.00 34.02 H new ATOM 0 HG CYS A 63 1.508 -18.763 -7.883 1.00 40.11 H new ATOM 953 N PRO A 64 5.133 -14.237 -7.270 1.00 61.54 N ATOM 954 CA PRO A 64 5.536 -12.837 -7.574 1.00 10.52 C ATOM 955 C PRO A 64 4.405 -12.009 -8.214 1.00 75.21 C ATOM 956 O PRO A 64 4.271 -10.828 -7.909 1.00 11.00 O ATOM 957 CB PRO A 64 6.758 -12.991 -8.531 1.00 51.32 C ATOM 958 CG PRO A 64 6.686 -14.402 -9.039 1.00 4.41 C ATOM 959 CD PRO A 64 6.061 -15.209 -7.919 1.00 43.44 C ATOM 0 HA PRO A 64 5.780 -12.284 -6.667 1.00 10.52 H new ATOM 0 HB2 PRO A 64 6.709 -12.274 -9.351 1.00 51.32 H new ATOM 0 HB3 PRO A 64 7.695 -12.809 -8.005 1.00 51.32 H new ATOM 0 HG2 PRO A 64 6.085 -14.461 -9.947 1.00 4.41 H new ATOM 0 HG3 PRO A 64 7.678 -14.780 -9.288 1.00 4.41 H new ATOM 0 HD2 PRO A 64 5.528 -16.080 -8.300 1.00 43.44 H new ATOM 0 HD3 PRO A 64 6.813 -15.576 -7.220 1.00 43.44 H new ATOM 967 N SER A 65 3.571 -12.654 -9.059 1.00 45.32 N ATOM 968 CA SER A 65 2.488 -11.976 -9.803 1.00 32.14 C ATOM 969 C SER A 65 1.449 -11.323 -8.863 1.00 4.21 C ATOM 970 O SER A 65 0.964 -10.226 -9.153 1.00 54.14 O ATOM 971 CB SER A 65 1.799 -12.969 -10.760 1.00 50.22 C ATOM 972 OG SER A 65 2.726 -13.501 -11.698 1.00 64.33 O ATOM 0 H SER A 65 3.630 -13.655 -9.244 1.00 45.32 H new ATOM 0 HA SER A 65 2.944 -11.173 -10.382 1.00 32.14 H new ATOM 0 HB2 SER A 65 1.351 -13.780 -10.187 1.00 50.22 H new ATOM 0 HB3 SER A 65 0.989 -12.467 -11.289 1.00 50.22 H new ATOM 0 HG SER A 65 2.266 -14.129 -12.293 1.00 64.33 H new ATOM 978 N SER A 66 1.123 -12.002 -7.737 1.00 50.55 N ATOM 979 CA SER A 66 0.153 -11.490 -6.742 1.00 14.14 C ATOM 980 C SER A 66 0.717 -10.255 -6.008 1.00 3.03 C ATOM 981 O SER A 66 -0.015 -9.293 -5.738 1.00 51.11 O ATOM 982 CB SER A 66 -0.211 -12.599 -5.735 1.00 71.14 C ATOM 983 OG SER A 66 -0.704 -13.750 -6.403 1.00 24.34 O ATOM 0 H SER A 66 1.520 -12.910 -7.495 1.00 50.55 H new ATOM 0 HA SER A 66 -0.751 -11.185 -7.269 1.00 14.14 H new ATOM 0 HB2 SER A 66 0.668 -12.864 -5.147 1.00 71.14 H new ATOM 0 HB3 SER A 66 -0.962 -12.229 -5.037 1.00 71.14 H new ATOM 0 HG SER A 66 -0.217 -14.542 -6.093 1.00 24.34 H new ATOM 989 N ILE A 67 2.028 -10.317 -5.694 1.00 63.53 N ATOM 990 CA ILE A 67 2.798 -9.193 -5.122 1.00 72.35 C ATOM 991 C ILE A 67 2.748 -7.966 -6.060 1.00 14.33 C ATOM 992 O ILE A 67 2.466 -6.853 -5.614 1.00 53.24 O ATOM 993 CB ILE A 67 4.300 -9.619 -4.891 1.00 12.15 C ATOM 994 CG1 ILE A 67 4.391 -10.812 -3.884 1.00 14.35 C ATOM 995 CG2 ILE A 67 5.179 -8.424 -4.440 1.00 44.24 C ATOM 996 CD1 ILE A 67 5.780 -11.416 -3.728 1.00 42.30 C ATOM 0 H ILE A 67 2.588 -11.158 -5.832 1.00 63.53 H new ATOM 0 HA ILE A 67 2.349 -8.926 -4.165 1.00 72.35 H new ATOM 0 HB ILE A 67 4.697 -9.956 -5.849 1.00 12.15 H new ATOM 0 HG12 ILE A 67 4.047 -10.471 -2.907 1.00 14.35 H new ATOM 0 HG13 ILE A 67 3.705 -11.595 -4.208 1.00 14.35 H new ATOM 0 HG21 ILE A 67 6.205 -8.762 -4.293 1.00 44.24 H new ATOM 0 HG22 ILE A 67 5.159 -7.648 -5.206 1.00 44.24 H new ATOM 0 HG23 ILE A 67 4.792 -8.020 -3.504 1.00 44.24 H new ATOM 0 HD11 ILE A 67 5.742 -12.235 -3.010 1.00 42.30 H new ATOM 0 HD12 ILE A 67 6.123 -11.793 -4.691 1.00 42.30 H new ATOM 0 HD13 ILE A 67 6.471 -10.652 -3.371 1.00 42.30 H new ATOM 1008 N ILE A 68 2.998 -8.218 -7.361 1.00 63.33 N ATOM 1009 CA ILE A 68 3.048 -7.179 -8.407 1.00 30.21 C ATOM 1010 C ILE A 68 1.671 -6.498 -8.565 1.00 41.35 C ATOM 1011 O ILE A 68 1.595 -5.266 -8.625 1.00 75.12 O ATOM 1012 CB ILE A 68 3.538 -7.794 -9.778 1.00 63.14 C ATOM 1013 CG1 ILE A 68 4.987 -8.366 -9.643 1.00 33.51 C ATOM 1014 CG2 ILE A 68 3.470 -6.767 -10.935 1.00 44.23 C ATOM 1015 CD1 ILE A 68 5.448 -9.227 -10.814 1.00 3.22 C ATOM 0 H ILE A 68 3.172 -9.158 -7.717 1.00 63.33 H new ATOM 0 HA ILE A 68 3.766 -6.418 -8.103 1.00 30.21 H new ATOM 0 HB ILE A 68 2.858 -8.609 -10.023 1.00 63.14 H new ATOM 0 HG12 ILE A 68 5.681 -7.534 -9.527 1.00 33.51 H new ATOM 0 HG13 ILE A 68 5.045 -8.959 -8.730 1.00 33.51 H new ATOM 0 HG21 ILE A 68 3.816 -7.234 -11.857 1.00 44.23 H new ATOM 0 HG22 ILE A 68 2.441 -6.431 -11.063 1.00 44.23 H new ATOM 0 HG23 ILE A 68 4.105 -5.912 -10.701 1.00 44.23 H new ATOM 0 HD11 ILE A 68 6.463 -9.578 -10.630 1.00 3.22 H new ATOM 0 HD12 ILE A 68 4.782 -10.083 -10.920 1.00 3.22 H new ATOM 0 HD13 ILE A 68 5.429 -8.636 -11.730 1.00 3.22 H new ATOM 1027 N THR A 69 0.592 -7.316 -8.578 1.00 45.30 N ATOM 1028 CA THR A 69 -0.791 -6.828 -8.736 1.00 52.34 C ATOM 1029 C THR A 69 -1.208 -5.945 -7.548 1.00 2.45 C ATOM 1030 O THR A 69 -1.764 -4.856 -7.749 1.00 73.15 O ATOM 1031 CB THR A 69 -1.807 -8.008 -8.877 1.00 25.24 C ATOM 1032 OG1 THR A 69 -1.362 -8.914 -9.896 1.00 75.54 O ATOM 1033 CG2 THR A 69 -3.221 -7.515 -9.231 1.00 14.33 C ATOM 0 H THR A 69 0.659 -8.329 -8.479 1.00 45.30 H new ATOM 0 HA THR A 69 -0.810 -6.236 -9.651 1.00 52.34 H new ATOM 0 HB THR A 69 -1.854 -8.512 -7.911 1.00 25.24 H new ATOM 0 HG1 THR A 69 -0.586 -9.416 -9.571 1.00 75.54 H new ATOM 0 HG21 THR A 69 -3.893 -8.369 -9.319 1.00 14.33 H new ATOM 0 HG22 THR A 69 -3.581 -6.849 -8.447 1.00 14.33 H new ATOM 0 HG23 THR A 69 -3.192 -6.977 -10.179 1.00 14.33 H new ATOM 1041 N LEU A 70 -0.919 -6.428 -6.320 1.00 53.30 N ATOM 1042 CA LEU A 70 -1.267 -5.722 -5.078 1.00 14.41 C ATOM 1043 C LEU A 70 -0.526 -4.371 -5.014 1.00 53.32 C ATOM 1044 O LEU A 70 -1.156 -3.329 -4.858 1.00 43.12 O ATOM 1045 CB LEU A 70 -0.933 -6.611 -3.845 1.00 72.12 C ATOM 1046 CG LEU A 70 -1.261 -6.001 -2.440 1.00 5.30 C ATOM 1047 CD1 LEU A 70 -2.741 -5.591 -2.328 1.00 63.31 C ATOM 1048 CD2 LEU A 70 -0.870 -6.964 -1.306 1.00 12.23 C ATOM 0 H LEU A 70 -0.440 -7.315 -6.167 1.00 53.30 H new ATOM 0 HA LEU A 70 -2.338 -5.520 -5.065 1.00 14.41 H new ATOM 0 HB2 LEU A 70 -1.475 -7.551 -3.945 1.00 72.12 H new ATOM 0 HB3 LEU A 70 0.130 -6.851 -3.874 1.00 72.12 H new ATOM 0 HG LEU A 70 -0.661 -5.097 -2.335 1.00 5.30 H new ATOM 0 HD11 LEU A 70 -2.929 -5.172 -1.339 1.00 63.31 H new ATOM 0 HD12 LEU A 70 -2.970 -4.844 -3.088 1.00 63.31 H new ATOM 0 HD13 LEU A 70 -3.373 -6.466 -2.478 1.00 63.31 H new ATOM 0 HD21 LEU A 70 -1.111 -6.511 -0.344 1.00 12.23 H new ATOM 0 HD22 LEU A 70 -1.422 -7.898 -1.415 1.00 12.23 H new ATOM 0 HD23 LEU A 70 0.200 -7.167 -1.354 1.00 12.23 H new ATOM 1060 N LYS A 71 0.808 -4.429 -5.205 1.00 64.34 N ATOM 1061 CA LYS A 71 1.712 -3.260 -5.214 1.00 62.21 C ATOM 1062 C LYS A 71 1.251 -2.191 -6.235 1.00 55.55 C ATOM 1063 O LYS A 71 1.264 -1.001 -5.923 1.00 22.33 O ATOM 1064 CB LYS A 71 3.168 -3.764 -5.486 1.00 50.42 C ATOM 1065 CG LYS A 71 4.281 -2.678 -5.641 1.00 64.33 C ATOM 1066 CD LYS A 71 4.542 -2.241 -7.110 1.00 13.01 C ATOM 1067 CE LYS A 71 5.030 -3.404 -7.998 1.00 61.24 C ATOM 1068 NZ LYS A 71 5.215 -2.984 -9.414 1.00 14.50 N ATOM 0 H LYS A 71 1.298 -5.310 -5.361 1.00 64.34 H new ATOM 0 HA LYS A 71 1.687 -2.764 -4.244 1.00 62.21 H new ATOM 0 HB2 LYS A 71 3.454 -4.427 -4.670 1.00 50.42 H new ATOM 0 HB3 LYS A 71 3.153 -4.365 -6.395 1.00 50.42 H new ATOM 0 HG2 LYS A 71 4.002 -1.801 -5.057 1.00 64.33 H new ATOM 0 HG3 LYS A 71 5.209 -3.061 -5.217 1.00 64.33 H new ATOM 0 HD2 LYS A 71 3.625 -1.828 -7.530 1.00 13.01 H new ATOM 0 HD3 LYS A 71 5.285 -1.444 -7.121 1.00 13.01 H new ATOM 0 HE2 LYS A 71 5.973 -3.788 -7.607 1.00 61.24 H new ATOM 0 HE3 LYS A 71 4.310 -4.221 -7.953 1.00 61.24 H new ATOM 0 HZ1 LYS A 71 5.527 -3.799 -9.980 1.00 14.50 H new ATOM 0 HZ2 LYS A 71 4.314 -2.626 -9.790 1.00 14.50 H new ATOM 0 HZ3 LYS A 71 5.933 -2.233 -9.462 1.00 14.50 H new ATOM 1082 N ASN A 72 0.825 -2.642 -7.437 1.00 1.51 N ATOM 1083 CA ASN A 72 0.356 -1.748 -8.529 1.00 25.30 C ATOM 1084 C ASN A 72 -1.011 -1.125 -8.204 1.00 44.12 C ATOM 1085 O ASN A 72 -1.254 0.040 -8.530 1.00 44.13 O ATOM 1086 CB ASN A 72 0.275 -2.511 -9.887 1.00 44.05 C ATOM 1087 CG ASN A 72 1.641 -2.790 -10.526 1.00 75.42 C ATOM 1088 OD1 ASN A 72 2.608 -2.051 -10.321 1.00 71.03 O ATOM 1089 ND2 ASN A 72 1.727 -3.851 -11.317 1.00 11.05 N ATOM 0 H ASN A 72 0.795 -3.632 -7.680 1.00 1.51 H new ATOM 0 HA ASN A 72 1.089 -0.946 -8.617 1.00 25.30 H new ATOM 0 HB2 ASN A 72 -0.242 -3.458 -9.730 1.00 44.05 H new ATOM 0 HB3 ASN A 72 -0.329 -1.930 -10.584 1.00 44.05 H new ATOM 0 HD21 ASN A 72 2.610 -4.075 -11.775 1.00 11.05 H new ATOM 0 HD22 ASN A 72 0.910 -4.443 -11.467 1.00 11.05 H new ATOM 1096 N GLY A 73 -1.898 -1.920 -7.581 1.00 24.12 N ATOM 1097 CA GLY A 73 -3.237 -1.460 -7.207 1.00 40.11 C ATOM 1098 C GLY A 73 -3.187 -0.334 -6.183 1.00 54.20 C ATOM 1099 O GLY A 73 -3.793 0.733 -6.381 1.00 44.30 O ATOM 0 H GLY A 73 -1.705 -2.889 -7.327 1.00 24.12 H new ATOM 0 HA2 GLY A 73 -3.765 -1.118 -8.097 1.00 40.11 H new ATOM 0 HA3 GLY A 73 -3.807 -2.295 -6.800 1.00 40.11 H new ATOM 1103 N ILE A 74 -2.399 -0.579 -5.119 1.00 63.51 N ATOM 1104 CA ILE A 74 -2.116 0.389 -4.050 1.00 74.05 C ATOM 1105 C ILE A 74 -1.477 1.661 -4.639 1.00 3.23 C ATOM 1106 O ILE A 74 -1.928 2.768 -4.360 1.00 11.24 O ATOM 1107 CB ILE A 74 -1.136 -0.235 -2.982 1.00 11.43 C ATOM 1108 CG1 ILE A 74 -1.729 -1.543 -2.367 1.00 12.52 C ATOM 1109 CG2 ILE A 74 -0.791 0.786 -1.876 1.00 24.32 C ATOM 1110 CD1 ILE A 74 -0.772 -2.325 -1.475 1.00 23.41 C ATOM 0 H ILE A 74 -1.933 -1.475 -4.979 1.00 63.51 H new ATOM 0 HA ILE A 74 -3.059 0.644 -3.566 1.00 74.05 H new ATOM 0 HB ILE A 74 -0.212 -0.496 -3.497 1.00 11.43 H new ATOM 0 HG12 ILE A 74 -2.615 -1.285 -1.786 1.00 12.52 H new ATOM 0 HG13 ILE A 74 -2.058 -2.192 -3.179 1.00 12.52 H new ATOM 0 HG21 ILE A 74 -0.114 0.327 -1.155 1.00 24.32 H new ATOM 0 HG22 ILE A 74 -0.310 1.657 -2.322 1.00 24.32 H new ATOM 0 HG23 ILE A 74 -1.705 1.096 -1.369 1.00 24.32 H new ATOM 0 HD11 ILE A 74 -1.274 -3.215 -1.096 1.00 23.41 H new ATOM 0 HD12 ILE A 74 0.104 -2.620 -2.052 1.00 23.41 H new ATOM 0 HD13 ILE A 74 -0.461 -1.699 -0.638 1.00 23.41 H new ATOM 1122 N GLN A 75 -0.446 1.445 -5.481 1.00 12.10 N ATOM 1123 CA GLN A 75 0.354 2.509 -6.112 1.00 71.55 C ATOM 1124 C GLN A 75 -0.537 3.490 -6.882 1.00 54.51 C ATOM 1125 O GLN A 75 -0.618 4.657 -6.518 1.00 11.00 O ATOM 1126 CB GLN A 75 1.401 1.870 -7.059 1.00 73.45 C ATOM 1127 CG GLN A 75 2.357 2.861 -7.745 1.00 14.42 C ATOM 1128 CD GLN A 75 3.309 2.161 -8.709 1.00 43.13 C ATOM 1129 OE1 GLN A 75 3.025 2.031 -9.901 1.00 43.23 O ATOM 1130 NE2 GLN A 75 4.429 1.678 -8.194 1.00 22.50 N ATOM 0 H GLN A 75 -0.142 0.508 -5.745 1.00 12.10 H new ATOM 0 HA GLN A 75 0.865 3.072 -5.331 1.00 71.55 H new ATOM 0 HB2 GLN A 75 1.993 1.154 -6.489 1.00 73.45 H new ATOM 0 HB3 GLN A 75 0.874 1.306 -7.829 1.00 73.45 H new ATOM 0 HG2 GLN A 75 1.777 3.608 -8.287 1.00 14.42 H new ATOM 0 HG3 GLN A 75 2.933 3.392 -6.988 1.00 14.42 H new ATOM 0 HE21 GLN A 75 4.631 1.805 -7.202 1.00 22.50 H new ATOM 0 HE22 GLN A 75 5.090 1.179 -8.789 1.00 22.50 H new ATOM 1139 N ASN A 76 -1.258 2.960 -7.886 1.00 31.12 N ATOM 1140 CA ASN A 76 -2.068 3.763 -8.822 1.00 34.33 C ATOM 1141 C ASN A 76 -3.218 4.478 -8.100 1.00 34.30 C ATOM 1142 O ASN A 76 -3.586 5.598 -8.478 1.00 42.51 O ATOM 1143 CB ASN A 76 -2.616 2.868 -9.965 1.00 4.35 C ATOM 1144 CG ASN A 76 -1.549 2.371 -10.954 1.00 73.50 C ATOM 1145 OD1 ASN A 76 -1.832 2.197 -12.139 1.00 22.43 O ATOM 1146 ND2 ASN A 76 -0.326 2.119 -10.498 1.00 42.34 N ATOM 0 H ASN A 76 -1.296 1.958 -8.073 1.00 31.12 H new ATOM 0 HA ASN A 76 -1.422 4.528 -9.252 1.00 34.33 H new ATOM 0 HB2 ASN A 76 -3.116 2.005 -9.525 1.00 4.35 H new ATOM 0 HB3 ASN A 76 -3.372 3.427 -10.516 1.00 4.35 H new ATOM 0 HD21 ASN A 76 0.395 1.776 -11.133 1.00 42.34 H new ATOM 0 HD22 ASN A 76 -0.108 2.269 -9.513 1.00 42.34 H new ATOM 1153 N MET A 77 -3.769 3.818 -7.057 1.00 41.02 N ATOM 1154 CA MET A 77 -4.824 4.398 -6.208 1.00 45.13 C ATOM 1155 C MET A 77 -4.282 5.649 -5.484 1.00 51.23 C ATOM 1156 O MET A 77 -4.837 6.736 -5.624 1.00 35.32 O ATOM 1157 CB MET A 77 -5.325 3.362 -5.166 1.00 10.05 C ATOM 1158 CG MET A 77 -6.567 3.799 -4.365 1.00 50.43 C ATOM 1159 SD MET A 77 -6.824 2.808 -2.877 1.00 41.05 S ATOM 1160 CE MET A 77 -5.442 3.335 -1.860 1.00 33.34 C ATOM 0 H MET A 77 -3.494 2.874 -6.784 1.00 41.02 H new ATOM 0 HA MET A 77 -5.663 4.681 -6.844 1.00 45.13 H new ATOM 0 HB2 MET A 77 -5.553 2.430 -5.682 1.00 10.05 H new ATOM 0 HB3 MET A 77 -4.516 3.150 -4.467 1.00 10.05 H new ATOM 0 HG2 MET A 77 -6.463 4.847 -4.084 1.00 50.43 H new ATOM 0 HG3 MET A 77 -7.449 3.726 -5.002 1.00 50.43 H new ATOM 0 HE1 MET A 77 -5.617 3.038 -0.826 1.00 33.34 H new ATOM 0 HE2 MET A 77 -4.526 2.869 -2.222 1.00 33.34 H new ATOM 0 HE3 MET A 77 -5.343 4.419 -1.914 1.00 33.34 H new ATOM 1170 N LEU A 78 -3.161 5.466 -4.750 1.00 73.44 N ATOM 1171 CA LEU A 78 -2.507 6.538 -3.973 1.00 4.11 C ATOM 1172 C LEU A 78 -2.056 7.701 -4.884 1.00 70.53 C ATOM 1173 O LEU A 78 -2.151 8.851 -4.485 1.00 13.52 O ATOM 1174 CB LEU A 78 -1.292 5.975 -3.179 1.00 3.24 C ATOM 1175 CG LEU A 78 -1.610 4.950 -2.045 1.00 53.24 C ATOM 1176 CD1 LEU A 78 -0.315 4.394 -1.420 1.00 23.21 C ATOM 1177 CD2 LEU A 78 -2.521 5.567 -0.966 1.00 33.44 C ATOM 0 H LEU A 78 -2.685 4.567 -4.681 1.00 73.44 H new ATOM 0 HA LEU A 78 -3.240 6.928 -3.267 1.00 4.11 H new ATOM 0 HB2 LEU A 78 -0.614 5.499 -3.887 1.00 3.24 H new ATOM 0 HB3 LEU A 78 -0.755 6.815 -2.738 1.00 3.24 H new ATOM 0 HG LEU A 78 -2.150 4.119 -2.498 1.00 53.24 H new ATOM 0 HD11 LEU A 78 -0.567 3.683 -0.633 1.00 23.21 H new ATOM 0 HD12 LEU A 78 0.273 3.892 -2.188 1.00 23.21 H new ATOM 0 HD13 LEU A 78 0.265 5.213 -0.996 1.00 23.21 H new ATOM 0 HD21 LEU A 78 -2.722 4.826 -0.192 1.00 33.44 H new ATOM 0 HD22 LEU A 78 -2.026 6.430 -0.522 1.00 33.44 H new ATOM 0 HD23 LEU A 78 -3.461 5.882 -1.420 1.00 33.44 H new ATOM 1189 N GLN A 79 -1.604 7.373 -6.114 1.00 13.20 N ATOM 1190 CA GLN A 79 -1.122 8.366 -7.109 1.00 72.01 C ATOM 1191 C GLN A 79 -2.242 9.322 -7.564 1.00 20.31 C ATOM 1192 O GLN A 79 -1.967 10.479 -7.912 1.00 12.13 O ATOM 1193 CB GLN A 79 -0.495 7.649 -8.336 1.00 14.14 C ATOM 1194 CG GLN A 79 0.849 6.960 -8.041 1.00 11.53 C ATOM 1195 CD GLN A 79 1.424 6.174 -9.219 1.00 13.43 C ATOM 1196 OE1 GLN A 79 0.690 5.626 -10.046 1.00 72.14 O ATOM 1197 NE2 GLN A 79 2.745 6.101 -9.296 1.00 34.22 N ATOM 0 H GLN A 79 -1.562 6.411 -6.449 1.00 13.20 H new ATOM 0 HA GLN A 79 -0.357 8.968 -6.618 1.00 72.01 H new ATOM 0 HB2 GLN A 79 -1.199 6.904 -8.707 1.00 14.14 H new ATOM 0 HB3 GLN A 79 -0.351 8.377 -9.134 1.00 14.14 H new ATOM 0 HG2 GLN A 79 1.572 7.716 -7.736 1.00 11.53 H new ATOM 0 HG3 GLN A 79 0.720 6.283 -7.196 1.00 11.53 H new ATOM 0 HE21 GLN A 79 3.323 6.566 -8.596 1.00 34.22 H new ATOM 0 HE22 GLN A 79 3.184 5.580 -10.055 1.00 34.22 H new ATOM 1206 N PHE A 80 -3.494 8.831 -7.551 1.00 75.31 N ATOM 1207 CA PHE A 80 -4.684 9.623 -7.921 1.00 14.24 C ATOM 1208 C PHE A 80 -4.925 10.755 -6.899 1.00 52.42 C ATOM 1209 O PHE A 80 -5.355 11.854 -7.259 1.00 51.03 O ATOM 1210 CB PHE A 80 -5.921 8.690 -8.014 1.00 15.55 C ATOM 1211 CG PHE A 80 -7.245 9.379 -8.363 1.00 10.34 C ATOM 1212 CD1 PHE A 80 -7.473 9.889 -9.644 1.00 35.22 C ATOM 1213 CD2 PHE A 80 -8.260 9.517 -7.415 1.00 22.32 C ATOM 1214 CE1 PHE A 80 -8.672 10.504 -9.962 1.00 23.22 C ATOM 1215 CE2 PHE A 80 -9.457 10.133 -7.733 1.00 32.11 C ATOM 1216 CZ PHE A 80 -9.663 10.628 -9.003 1.00 33.22 C ATOM 0 H PHE A 80 -3.711 7.871 -7.283 1.00 75.31 H new ATOM 0 HA PHE A 80 -4.516 10.084 -8.894 1.00 14.24 H new ATOM 0 HB2 PHE A 80 -5.721 7.925 -8.764 1.00 15.55 H new ATOM 0 HB3 PHE A 80 -6.039 8.177 -7.060 1.00 15.55 H new ATOM 0 HD1 PHE A 80 -6.703 9.802 -10.396 1.00 35.22 H new ATOM 0 HD2 PHE A 80 -8.108 9.136 -6.416 1.00 22.32 H new ATOM 0 HE1 PHE A 80 -8.834 10.887 -10.959 1.00 23.22 H new ATOM 0 HE2 PHE A 80 -10.231 10.226 -6.986 1.00 32.11 H new ATOM 0 HZ PHE A 80 -10.596 11.112 -9.250 1.00 33.22 H new ATOM 1226 N TYR A 81 -4.643 10.471 -5.619 1.00 60.32 N ATOM 1227 CA TYR A 81 -4.860 11.426 -4.512 1.00 22.23 C ATOM 1228 C TYR A 81 -3.573 12.212 -4.192 1.00 42.33 C ATOM 1229 O TYR A 81 -3.634 13.364 -3.743 1.00 40.42 O ATOM 1230 CB TYR A 81 -5.336 10.654 -3.255 1.00 52.22 C ATOM 1231 CG TYR A 81 -6.555 9.756 -3.509 1.00 61.53 C ATOM 1232 CD1 TYR A 81 -7.836 10.298 -3.649 1.00 12.15 C ATOM 1233 CD2 TYR A 81 -6.422 8.371 -3.618 1.00 5.51 C ATOM 1234 CE1 TYR A 81 -8.929 9.490 -3.889 1.00 23.44 C ATOM 1235 CE2 TYR A 81 -7.512 7.561 -3.856 1.00 30.24 C ATOM 1236 CZ TYR A 81 -8.759 8.123 -3.995 1.00 3.03 C ATOM 1237 OH TYR A 81 -9.838 7.318 -4.250 1.00 2.21 O ATOM 0 H TYR A 81 -4.259 9.575 -5.318 1.00 60.32 H new ATOM 0 HA TYR A 81 -5.622 12.143 -4.817 1.00 22.23 H new ATOM 0 HB2 TYR A 81 -4.515 10.041 -2.883 1.00 52.22 H new ATOM 0 HB3 TYR A 81 -5.580 11.370 -2.470 1.00 52.22 H new ATOM 0 HD1 TYR A 81 -7.973 11.366 -3.568 1.00 12.15 H new ATOM 0 HD2 TYR A 81 -5.444 7.924 -3.514 1.00 5.51 H new ATOM 0 HE1 TYR A 81 -9.912 9.924 -3.993 1.00 23.44 H new ATOM 0 HE2 TYR A 81 -7.387 6.491 -3.933 1.00 30.24 H new ATOM 0 HH TYR A 81 -9.855 7.085 -5.202 1.00 2.21 H new ATOM 1247 N ILE A 82 -2.410 11.574 -4.444 1.00 31.23 N ATOM 1248 CA ILE A 82 -1.091 12.027 -3.948 1.00 33.33 C ATOM 1249 C ILE A 82 -0.066 12.036 -5.110 1.00 41.21 C ATOM 1250 O ILE A 82 0.250 10.972 -5.659 1.00 63.14 O ATOM 1251 CB ILE A 82 -0.554 11.071 -2.810 1.00 33.54 C ATOM 1252 CG1 ILE A 82 -1.638 10.819 -1.715 1.00 3.32 C ATOM 1253 CG2 ILE A 82 0.744 11.638 -2.187 1.00 30.14 C ATOM 1254 CD1 ILE A 82 -1.324 9.693 -0.757 1.00 53.30 C ATOM 0 H ILE A 82 -2.359 10.722 -5.003 1.00 31.23 H new ATOM 0 HA ILE A 82 -1.213 13.032 -3.543 1.00 33.33 H new ATOM 0 HB ILE A 82 -0.322 10.109 -3.266 1.00 33.54 H new ATOM 0 HG12 ILE A 82 -1.775 11.736 -1.142 1.00 3.32 H new ATOM 0 HG13 ILE A 82 -2.587 10.605 -2.206 1.00 3.32 H new ATOM 0 HG21 ILE A 82 1.097 10.965 -1.406 1.00 30.14 H new ATOM 0 HG22 ILE A 82 1.508 11.730 -2.959 1.00 30.14 H new ATOM 0 HG23 ILE A 82 0.543 12.619 -1.757 1.00 30.14 H new ATOM 0 HD11 ILE A 82 -2.134 9.594 -0.034 1.00 53.30 H new ATOM 0 HD12 ILE A 82 -1.218 8.761 -1.313 1.00 53.30 H new ATOM 0 HD13 ILE A 82 -0.394 9.910 -0.232 1.00 53.30 H new ATOM 1266 N PRO A 83 0.470 13.232 -5.507 1.00 51.52 N ATOM 1267 CA PRO A 83 1.535 13.345 -6.547 1.00 61.31 C ATOM 1268 C PRO A 83 2.895 12.777 -6.083 1.00 52.01 C ATOM 1269 O PRO A 83 3.724 12.389 -6.918 1.00 22.44 O ATOM 1270 CB PRO A 83 1.626 14.881 -6.817 1.00 22.31 C ATOM 1271 CG PRO A 83 0.383 15.459 -6.191 1.00 33.24 C ATOM 1272 CD PRO A 83 0.072 14.574 -5.009 1.00 52.35 C ATOM 0 HA PRO A 83 1.292 12.763 -7.436 1.00 61.31 H new ATOM 0 HB2 PRO A 83 2.526 15.307 -6.374 1.00 22.31 H new ATOM 0 HB3 PRO A 83 1.665 15.093 -7.886 1.00 22.31 H new ATOM 0 HG2 PRO A 83 0.546 16.490 -5.876 1.00 33.24 H new ATOM 0 HG3 PRO A 83 -0.444 15.470 -6.901 1.00 33.24 H new ATOM 0 HD2 PRO A 83 0.638 14.864 -4.124 1.00 52.35 H new ATOM 0 HD3 PRO A 83 -0.983 14.611 -4.739 1.00 52.35 H new ATOM 1280 N GLU A 84 3.101 12.736 -4.747 1.00 1.31 N ATOM 1281 CA GLU A 84 4.366 12.292 -4.122 1.00 63.12 C ATOM 1282 C GLU A 84 4.679 10.817 -4.432 1.00 74.41 C ATOM 1283 O GLU A 84 5.845 10.461 -4.651 1.00 60.12 O ATOM 1284 CB GLU A 84 4.309 12.492 -2.582 1.00 33.33 C ATOM 1285 CG GLU A 84 4.047 13.935 -2.117 1.00 63.32 C ATOM 1286 CD GLU A 84 5.108 14.934 -2.607 1.00 15.10 C ATOM 1287 OE1 GLU A 84 6.221 14.978 -2.030 1.00 13.44 O ATOM 1288 OE2 GLU A 84 4.831 15.686 -3.563 1.00 52.30 O ATOM 0 H GLU A 84 2.390 13.012 -4.069 1.00 1.31 H new ATOM 0 HA GLU A 84 5.162 12.904 -4.546 1.00 63.12 H new ATOM 0 HB2 GLU A 84 3.527 11.849 -2.177 1.00 33.33 H new ATOM 0 HB3 GLU A 84 5.253 12.155 -2.153 1.00 33.33 H new ATOM 0 HG2 GLU A 84 3.067 14.252 -2.474 1.00 63.32 H new ATOM 0 HG3 GLU A 84 4.012 13.958 -1.028 1.00 63.32 H new ATOM 1295 N VAL A 85 3.625 9.971 -4.436 1.00 11.32 N ATOM 1296 CA VAL A 85 3.755 8.520 -4.650 1.00 4.43 C ATOM 1297 C VAL A 85 4.277 8.218 -6.073 1.00 62.34 C ATOM 1298 O VAL A 85 3.543 8.300 -7.059 1.00 12.03 O ATOM 1299 CB VAL A 85 2.396 7.766 -4.376 1.00 4.13 C ATOM 1300 CG1 VAL A 85 2.520 6.234 -4.620 1.00 42.31 C ATOM 1301 CG2 VAL A 85 1.899 8.054 -2.939 1.00 11.24 C ATOM 0 H VAL A 85 2.663 10.278 -4.291 1.00 11.32 H new ATOM 0 HA VAL A 85 4.485 8.147 -3.932 1.00 4.43 H new ATOM 0 HB VAL A 85 1.661 8.146 -5.085 1.00 4.13 H new ATOM 0 HG11 VAL A 85 1.562 5.755 -4.420 1.00 42.31 H new ATOM 0 HG12 VAL A 85 2.807 6.053 -5.656 1.00 42.31 H new ATOM 0 HG13 VAL A 85 3.279 5.820 -3.956 1.00 42.31 H new ATOM 0 HG21 VAL A 85 0.961 7.527 -2.766 1.00 11.24 H new ATOM 0 HG22 VAL A 85 2.645 7.713 -2.221 1.00 11.24 H new ATOM 0 HG23 VAL A 85 1.741 9.126 -2.817 1.00 11.24 H new ATOM 1311 N GLU A 86 5.585 7.972 -6.152 1.00 4.44 N ATOM 1312 CA GLU A 86 6.253 7.466 -7.354 1.00 0.32 C ATOM 1313 C GLU A 86 6.059 5.949 -7.472 1.00 65.33 C ATOM 1314 O GLU A 86 5.821 5.428 -8.572 1.00 3.22 O ATOM 1315 CB GLU A 86 7.763 7.832 -7.308 1.00 23.15 C ATOM 1316 CG GLU A 86 8.068 9.306 -7.625 1.00 4.41 C ATOM 1317 CD GLU A 86 7.664 9.698 -9.062 1.00 11.34 C ATOM 1318 OE1 GLU A 86 8.441 9.430 -10.000 1.00 70.32 O ATOM 1319 OE2 GLU A 86 6.557 10.243 -9.265 1.00 11.04 O ATOM 0 H GLU A 86 6.222 8.121 -5.370 1.00 4.44 H new ATOM 0 HA GLU A 86 5.810 7.931 -8.235 1.00 0.32 H new ATOM 0 HB2 GLU A 86 8.151 7.598 -6.317 1.00 23.15 H new ATOM 0 HB3 GLU A 86 8.299 7.202 -8.017 1.00 23.15 H new ATOM 0 HG2 GLU A 86 7.540 9.943 -6.916 1.00 4.41 H new ATOM 0 HG3 GLU A 86 9.133 9.491 -7.487 1.00 4.41 H new ATOM 1326 N GLY A 87 6.129 5.254 -6.325 1.00 43.13 N ATOM 1327 CA GLY A 87 6.068 3.799 -6.300 1.00 3.14 C ATOM 1328 C GLY A 87 5.693 3.247 -4.940 1.00 14.22 C ATOM 1329 O GLY A 87 5.416 4.005 -4.009 1.00 31.04 O ATOM 0 H GLY A 87 6.228 5.685 -5.406 1.00 43.13 H new ATOM 0 HA2 GLY A 87 5.341 3.458 -7.038 1.00 3.14 H new ATOM 0 HA3 GLY A 87 7.036 3.395 -6.596 1.00 3.14 H new ATOM 1333 N VAL A 88 5.671 1.906 -4.851 1.00 72.14 N ATOM 1334 CA VAL A 88 5.413 1.146 -3.609 1.00 52.44 C ATOM 1335 C VAL A 88 6.457 0.007 -3.530 1.00 5.12 C ATOM 1336 O VAL A 88 6.693 -0.690 -4.526 1.00 10.53 O ATOM 1337 CB VAL A 88 3.936 0.559 -3.557 1.00 45.22 C ATOM 1338 CG1 VAL A 88 3.715 -0.379 -2.341 1.00 73.43 C ATOM 1339 CG2 VAL A 88 2.879 1.692 -3.555 1.00 31.31 C ATOM 0 H VAL A 88 5.836 1.304 -5.658 1.00 72.14 H new ATOM 0 HA VAL A 88 5.503 1.815 -2.753 1.00 52.44 H new ATOM 0 HB VAL A 88 3.811 -0.037 -4.461 1.00 45.22 H new ATOM 0 HG11 VAL A 88 2.691 -0.753 -2.351 1.00 73.43 H new ATOM 0 HG12 VAL A 88 4.409 -1.218 -2.398 1.00 73.43 H new ATOM 0 HG13 VAL A 88 3.890 0.174 -1.418 1.00 73.43 H new ATOM 0 HG21 VAL A 88 1.880 1.258 -3.519 1.00 31.31 H new ATOM 0 HG22 VAL A 88 3.030 2.328 -2.683 1.00 31.31 H new ATOM 0 HG23 VAL A 88 2.983 2.288 -4.462 1.00 31.31 H new ATOM 1349 N GLU A 89 7.093 -0.150 -2.357 1.00 55.05 N ATOM 1350 CA GLU A 89 8.106 -1.189 -2.090 1.00 22.22 C ATOM 1351 C GLU A 89 7.567 -2.157 -1.035 1.00 72.02 C ATOM 1352 O GLU A 89 6.982 -1.719 -0.038 1.00 71.11 O ATOM 1353 CB GLU A 89 9.416 -0.520 -1.583 1.00 40.14 C ATOM 1354 CG GLU A 89 10.556 -1.483 -1.190 1.00 5.04 C ATOM 1355 CD GLU A 89 11.832 -0.743 -0.751 1.00 23.22 C ATOM 1356 OE1 GLU A 89 11.911 -0.319 0.421 1.00 5.43 O ATOM 1357 OE2 GLU A 89 12.751 -0.566 -1.583 1.00 15.15 O ATOM 0 H GLU A 89 6.916 0.451 -1.553 1.00 55.05 H new ATOM 0 HA GLU A 89 8.322 -1.739 -3.006 1.00 22.22 H new ATOM 0 HB2 GLU A 89 9.784 0.149 -2.361 1.00 40.14 H new ATOM 0 HB3 GLU A 89 9.174 0.098 -0.718 1.00 40.14 H new ATOM 0 HG2 GLU A 89 10.218 -2.128 -0.379 1.00 5.04 H new ATOM 0 HG3 GLU A 89 10.788 -2.129 -2.036 1.00 5.04 H new ATOM 1364 N GLN A 90 7.750 -3.471 -1.255 1.00 22.33 N ATOM 1365 CA GLN A 90 7.443 -4.480 -0.240 1.00 35.11 C ATOM 1366 C GLN A 90 8.658 -4.660 0.682 1.00 31.43 C ATOM 1367 O GLN A 90 9.797 -4.805 0.212 1.00 63.20 O ATOM 1368 CB GLN A 90 7.069 -5.850 -0.855 1.00 33.30 C ATOM 1369 CG GLN A 90 6.721 -6.913 0.216 1.00 43.53 C ATOM 1370 CD GLN A 90 6.555 -8.334 -0.312 1.00 22.53 C ATOM 1371 OE1 GLN A 90 6.227 -8.553 -1.471 1.00 61.31 O ATOM 1372 NE2 GLN A 90 6.731 -9.312 0.559 1.00 40.31 N ATOM 0 H GLN A 90 8.110 -3.854 -2.129 1.00 22.33 H new ATOM 0 HA GLN A 90 6.578 -4.123 0.319 1.00 35.11 H new ATOM 0 HB2 GLN A 90 6.218 -5.723 -1.524 1.00 33.30 H new ATOM 0 HB3 GLN A 90 7.900 -6.210 -1.461 1.00 33.30 H new ATOM 0 HG2 GLN A 90 7.505 -6.913 0.974 1.00 43.53 H new ATOM 0 HG3 GLN A 90 5.797 -6.617 0.713 1.00 43.53 H new ATOM 0 HE21 GLN A 90 7.004 -9.098 1.518 1.00 40.31 H new ATOM 0 HE22 GLN A 90 6.593 -10.281 0.272 1.00 40.31 H new ATOM 1381 N VAL A 91 8.394 -4.656 1.983 1.00 20.23 N ATOM 1382 CA VAL A 91 9.373 -4.941 3.040 1.00 41.50 C ATOM 1383 C VAL A 91 8.772 -6.005 3.974 1.00 70.43 C ATOM 1384 O VAL A 91 7.550 -6.106 4.086 1.00 15.33 O ATOM 1385 CB VAL A 91 9.755 -3.626 3.827 1.00 10.30 C ATOM 1386 CG1 VAL A 91 10.635 -2.688 2.963 1.00 35.33 C ATOM 1387 CG2 VAL A 91 8.496 -2.876 4.317 1.00 42.43 C ATOM 0 H VAL A 91 7.465 -4.448 2.349 1.00 20.23 H new ATOM 0 HA VAL A 91 10.297 -5.320 2.603 1.00 41.50 H new ATOM 0 HB VAL A 91 10.332 -3.931 4.700 1.00 10.30 H new ATOM 0 HG11 VAL A 91 10.881 -1.792 3.533 1.00 35.33 H new ATOM 0 HG12 VAL A 91 11.554 -3.205 2.685 1.00 35.33 H new ATOM 0 HG13 VAL A 91 10.091 -2.406 2.062 1.00 35.33 H new ATOM 0 HG21 VAL A 91 8.795 -1.976 4.855 1.00 42.43 H new ATOM 0 HG22 VAL A 91 7.881 -2.600 3.461 1.00 42.43 H new ATOM 0 HG23 VAL A 91 7.923 -3.522 4.982 1.00 42.43 H new