USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 675 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 92 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.13) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= -0.652 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 21 THR OG1 : rot 132:sc= 0.259 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0209 (180deg=-0.196) USER MOD Single : A 27 THR OG1 : rot 43:sc= -0.0825 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0327 F(o=-0.58,f=-0.033) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.66 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -179:sc= -2.03 (180deg=-2.15) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 68 ASN : amide:sc= -0.633 K(o=-0.63,f=-3.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000968 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -104:sc= 0.329 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -172:sc= 0 (180deg=-0.0693) USER MOD Single : A 81 MET CE :methyl 152:sc= -0.473 (180deg=-2.47!) USER MOD Single : A 91 SER OG : rot 180:sc=0.000519 USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= -1.43! (180deg=-1.98!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS :FLIP no HD1:sc= -0.101 F(o=-0.66,f=-0.1) USER MOD Single : A 107 HIS : no HE2:sc= -0.391 K(o=-0.39,f=-1) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 13.709 -22.344 -16.105 1.00 71.14 N ATOM 257 CA ALA A 17 14.231 -21.006 -16.353 1.00 63.11 C ATOM 258 C ALA A 17 13.728 -20.458 -17.684 1.00 64.13 C ATOM 259 O ALA A 17 13.451 -21.216 -18.614 1.00 71.11 O ATOM 260 CB ALA A 17 15.753 -21.020 -16.327 1.00 35.31 C ATOM 0 HA ALA A 17 13.871 -20.350 -15.561 1.00 63.11 H new ATOM 0 HB1 ALA A 17 16.129 -20.014 -16.514 1.00 35.31 H new ATOM 0 HB2 ALA A 17 16.097 -21.361 -15.350 1.00 35.31 H new ATOM 0 HB3 ALA A 17 16.124 -21.695 -17.098 1.00 35.31 H new ATOM 266 N PHE A 18 13.612 -19.137 -17.769 1.00 63.02 N ATOM 267 CA PHE A 18 13.140 -18.488 -18.986 1.00 51.34 C ATOM 268 C PHE A 18 14.286 -17.783 -19.707 1.00 14.24 C ATOM 269 O PHE A 18 15.340 -17.531 -19.123 1.00 44.31 O ATOM 270 CB PHE A 18 12.034 -17.483 -18.657 1.00 41.44 C ATOM 271 CG PHE A 18 10.854 -18.097 -17.960 1.00 1.40 C ATOM 272 CD1 PHE A 18 10.864 -18.283 -16.587 1.00 71.31 C ATOM 273 CD2 PHE A 18 9.735 -18.488 -18.677 1.00 40.45 C ATOM 274 CE1 PHE A 18 9.779 -18.848 -15.942 1.00 45.31 C ATOM 275 CE2 PHE A 18 8.648 -19.052 -18.038 1.00 34.10 C ATOM 276 CZ PHE A 18 8.670 -19.233 -16.669 1.00 23.51 C ATOM 0 H PHE A 18 13.838 -18.495 -17.009 1.00 63.02 H new ATOM 0 HA PHE A 18 12.738 -19.257 -19.646 1.00 51.34 H new ATOM 0 HB2 PHE A 18 12.447 -16.694 -18.029 1.00 41.44 H new ATOM 0 HB3 PHE A 18 11.696 -17.012 -19.580 1.00 41.44 H new ATOM 0 HD1 PHE A 18 11.729 -17.983 -16.014 1.00 71.31 H new ATOM 0 HD2 PHE A 18 9.712 -18.350 -19.748 1.00 40.45 H new ATOM 0 HE1 PHE A 18 9.799 -18.988 -14.871 1.00 45.31 H new ATOM 0 HE2 PHE A 18 7.781 -19.351 -18.609 1.00 34.10 H new ATOM 0 HZ PHE A 18 7.821 -19.675 -16.168 1.00 23.51 H new ATOM 286 N THR A 19 14.071 -17.467 -20.980 1.00 41.02 N ATOM 287 CA THR A 19 15.085 -16.793 -21.782 1.00 14.45 C ATOM 288 C THR A 19 14.453 -16.045 -22.951 1.00 25.43 C ATOM 289 O THR A 19 13.502 -16.526 -23.567 1.00 20.12 O ATOM 290 CB THR A 19 16.125 -17.789 -22.326 1.00 24.33 C ATOM 291 OG1 THR A 19 16.285 -18.879 -21.411 1.00 31.31 O ATOM 292 CG2 THR A 19 17.466 -17.105 -22.546 1.00 61.21 C ATOM 0 H THR A 19 13.204 -17.667 -21.478 1.00 41.02 H new ATOM 0 HA THR A 19 15.585 -16.081 -21.126 1.00 14.45 H new ATOM 0 HB THR A 19 15.766 -18.168 -23.283 1.00 24.33 H new ATOM 0 HG1 THR A 19 16.947 -19.509 -21.765 1.00 31.31 H new ATOM 0 HG21 THR A 19 18.185 -17.829 -22.931 1.00 61.21 H new ATOM 0 HG22 THR A 19 17.347 -16.294 -23.265 1.00 61.21 H new ATOM 0 HG23 THR A 19 17.828 -16.701 -21.600 1.00 61.21 H new ATOM 300 N PHE A 20 14.989 -14.867 -23.252 1.00 62.34 N ATOM 301 CA PHE A 20 14.479 -14.054 -24.350 1.00 13.33 C ATOM 302 C PHE A 20 14.913 -14.624 -25.697 1.00 11.51 C ATOM 303 O PHE A 20 16.037 -15.103 -25.849 1.00 2.32 O ATOM 304 CB PHE A 20 14.967 -12.610 -24.212 1.00 70.25 C ATOM 305 CG PHE A 20 14.199 -11.811 -23.199 1.00 31.34 C ATOM 306 CD1 PHE A 20 12.837 -11.603 -23.348 1.00 63.22 C ATOM 307 CD2 PHE A 20 14.839 -11.268 -22.096 1.00 72.11 C ATOM 308 CE1 PHE A 20 12.127 -10.869 -22.417 1.00 5.12 C ATOM 309 CE2 PHE A 20 14.134 -10.533 -21.161 1.00 62.44 C ATOM 310 CZ PHE A 20 12.777 -10.332 -21.322 1.00 61.55 C ATOM 0 H PHE A 20 15.776 -14.454 -22.751 1.00 62.34 H new ATOM 0 HA PHE A 20 13.390 -14.068 -24.305 1.00 13.33 H new ATOM 0 HB2 PHE A 20 16.021 -12.616 -23.934 1.00 70.25 H new ATOM 0 HB3 PHE A 20 14.896 -12.117 -25.181 1.00 70.25 H new ATOM 0 HD1 PHE A 20 12.324 -12.020 -24.202 1.00 63.22 H new ATOM 0 HD2 PHE A 20 15.900 -11.421 -21.965 1.00 72.11 H new ATOM 0 HE1 PHE A 20 11.066 -10.715 -22.545 1.00 5.12 H new ATOM 0 HE2 PHE A 20 14.644 -10.116 -20.305 1.00 62.44 H new ATOM 0 HZ PHE A 20 12.225 -9.756 -20.594 1.00 61.55 H new ATOM 320 N THR A 21 14.013 -14.569 -26.674 1.00 11.41 N ATOM 321 CA THR A 21 14.300 -15.081 -28.008 1.00 5.33 C ATOM 322 C THR A 21 14.201 -13.976 -29.054 1.00 21.51 C ATOM 323 O THR A 21 15.041 -13.877 -29.949 1.00 32.02 O ATOM 324 CB THR A 21 13.340 -16.223 -28.390 1.00 41.42 C ATOM 325 OG1 THR A 21 11.986 -15.759 -28.349 1.00 0.53 O ATOM 326 CG2 THR A 21 13.505 -17.406 -27.449 1.00 72.40 C ATOM 0 H THR A 21 13.079 -14.175 -26.566 1.00 11.41 H new ATOM 0 HA THR A 21 15.319 -15.466 -27.986 1.00 5.33 H new ATOM 0 HB THR A 21 13.582 -16.548 -29.402 1.00 41.42 H new ATOM 0 HG1 THR A 21 11.523 -16.029 -29.169 1.00 0.53 H new ATOM 0 HG21 THR A 21 12.817 -18.200 -27.739 1.00 72.40 H new ATOM 0 HG22 THR A 21 14.529 -17.775 -27.505 1.00 72.40 H new ATOM 0 HG23 THR A 21 13.288 -17.092 -26.428 1.00 72.40 H new ATOM 334 N LYS A 22 13.170 -13.147 -28.936 1.00 33.22 N ATOM 335 CA LYS A 22 12.961 -12.047 -29.869 1.00 43.33 C ATOM 336 C LYS A 22 13.137 -10.701 -29.172 1.00 73.33 C ATOM 337 O LYS A 22 12.282 -10.280 -28.392 1.00 24.44 O ATOM 338 CB LYS A 22 11.565 -12.134 -30.489 1.00 12.20 C ATOM 339 CG LYS A 22 11.355 -13.371 -31.345 1.00 21.13 C ATOM 340 CD LYS A 22 10.023 -13.326 -32.074 1.00 12.32 C ATOM 341 CE LYS A 22 10.104 -12.473 -33.331 1.00 11.24 C ATOM 342 NZ LYS A 22 10.896 -13.138 -34.402 1.00 1.21 N ATOM 0 H LYS A 22 12.465 -13.216 -28.202 1.00 33.22 H new ATOM 0 HA LYS A 22 13.708 -12.127 -30.659 1.00 43.33 H new ATOM 0 HB2 LYS A 22 10.821 -12.124 -29.692 1.00 12.20 H new ATOM 0 HB3 LYS A 22 11.391 -11.247 -31.098 1.00 12.20 H new ATOM 0 HG2 LYS A 22 12.165 -13.454 -32.070 1.00 21.13 H new ATOM 0 HG3 LYS A 22 11.397 -14.261 -30.717 1.00 21.13 H new ATOM 0 HD2 LYS A 22 9.718 -14.338 -32.339 1.00 12.32 H new ATOM 0 HD3 LYS A 22 9.257 -12.926 -31.410 1.00 12.32 H new ATOM 0 HE2 LYS A 22 9.098 -12.269 -33.697 1.00 11.24 H new ATOM 0 HE3 LYS A 22 10.556 -11.511 -33.089 1.00 11.24 H new ATOM 0 HZ1 LYS A 22 10.696 -12.683 -35.315 1.00 1.21 H new ATOM 0 HZ2 LYS A 22 11.910 -13.053 -34.188 1.00 1.21 H new ATOM 0 HZ3 LYS A 22 10.636 -14.144 -34.452 1.00 1.21 H new ATOM 356 N ILE A 23 14.247 -10.031 -29.460 1.00 63.23 N ATOM 357 CA ILE A 23 14.533 -8.734 -28.861 1.00 3.23 C ATOM 358 C ILE A 23 13.399 -7.748 -29.116 1.00 54.25 C ATOM 359 O ILE A 23 12.904 -7.609 -30.235 1.00 72.23 O ATOM 360 CB ILE A 23 15.847 -8.140 -29.404 1.00 15.14 C ATOM 361 CG1 ILE A 23 17.005 -9.113 -29.175 1.00 72.31 C ATOM 362 CG2 ILE A 23 16.135 -6.800 -28.743 1.00 20.33 C ATOM 363 CD1 ILE A 23 18.325 -8.622 -29.726 1.00 51.51 C ATOM 0 H ILE A 23 14.963 -10.365 -30.105 1.00 63.23 H new ATOM 0 HA ILE A 23 14.634 -8.898 -27.788 1.00 3.23 H new ATOM 0 HB ILE A 23 15.740 -7.979 -30.477 1.00 15.14 H new ATOM 0 HG12 ILE A 23 17.112 -9.293 -28.105 1.00 72.31 H new ATOM 0 HG13 ILE A 23 16.761 -10.070 -29.636 1.00 72.31 H new ATOM 0 HG21 ILE A 23 17.066 -6.393 -29.137 1.00 20.33 H new ATOM 0 HG22 ILE A 23 15.319 -6.108 -28.953 1.00 20.33 H new ATOM 0 HG23 ILE A 23 16.226 -6.938 -27.666 1.00 20.33 H new ATOM 0 HD11 ILE A 23 19.100 -9.362 -29.528 1.00 51.51 H new ATOM 0 HD12 ILE A 23 18.236 -8.469 -30.802 1.00 51.51 H new ATOM 0 HD13 ILE A 23 18.592 -7.680 -29.247 1.00 51.51 H new ATOM 375 N PRO A 24 12.976 -7.044 -28.056 1.00 0.12 N ATOM 376 CA PRO A 24 11.896 -6.057 -28.140 1.00 55.23 C ATOM 377 C PRO A 24 12.305 -4.815 -28.925 1.00 11.01 C ATOM 378 O PRO A 24 13.452 -4.376 -28.856 1.00 25.11 O ATOM 379 CB PRO A 24 11.626 -5.700 -26.676 1.00 50.25 C ATOM 380 CG PRO A 24 12.908 -5.986 -25.974 1.00 63.53 C ATOM 381 CD PRO A 24 13.521 -7.157 -26.692 1.00 51.05 C ATOM 0 HA PRO A 24 11.025 -6.450 -28.664 1.00 55.23 H new ATOM 0 HB2 PRO A 24 11.341 -4.653 -26.570 1.00 50.25 H new ATOM 0 HB3 PRO A 24 10.809 -6.295 -26.267 1.00 50.25 H new ATOM 0 HG2 PRO A 24 13.570 -5.121 -26.003 1.00 63.53 H new ATOM 0 HG3 PRO A 24 12.734 -6.220 -24.924 1.00 63.53 H new ATOM 0 HD2 PRO A 24 14.610 -7.105 -26.689 1.00 51.05 H new ATOM 0 HD3 PRO A 24 13.245 -8.103 -26.226 1.00 51.05 H new ATOM 389 N ALA A 25 11.359 -4.253 -29.670 1.00 52.10 N ATOM 390 CA ALA A 25 11.621 -3.060 -30.466 1.00 21.40 C ATOM 391 C ALA A 25 10.321 -2.381 -30.882 1.00 12.12 C ATOM 392 O ALA A 25 9.427 -3.019 -31.437 1.00 43.24 O ATOM 393 CB ALA A 25 12.449 -3.416 -31.692 1.00 52.22 C ATOM 0 H ALA A 25 10.404 -4.605 -29.739 1.00 52.10 H new ATOM 0 HA ALA A 25 12.185 -2.359 -29.851 1.00 21.40 H new ATOM 0 HB1 ALA A 25 12.637 -2.516 -32.278 1.00 52.22 H new ATOM 0 HB2 ALA A 25 13.398 -3.849 -31.377 1.00 52.22 H new ATOM 0 HB3 ALA A 25 11.905 -4.138 -32.301 1.00 52.22 H new ATOM 399 N GLU A 26 10.222 -1.084 -30.608 1.00 45.33 N ATOM 400 CA GLU A 26 9.030 -0.319 -30.953 1.00 73.24 C ATOM 401 C GLU A 26 8.964 -0.062 -32.456 1.00 44.31 C ATOM 402 O GLU A 26 9.991 -0.003 -33.133 1.00 43.14 O ATOM 403 CB GLU A 26 9.012 1.010 -30.196 1.00 11.12 C ATOM 404 CG GLU A 26 7.666 1.715 -30.235 1.00 24.12 C ATOM 405 CD GLU A 26 7.687 3.052 -29.519 1.00 61.33 C ATOM 406 OE1 GLU A 26 8.736 3.395 -28.935 1.00 21.33 O ATOM 407 OE2 GLU A 26 6.655 3.754 -29.543 1.00 42.35 O ATOM 0 H GLU A 26 10.953 -0.541 -30.148 1.00 45.33 H new ATOM 0 HA GLU A 26 8.158 -0.905 -30.663 1.00 73.24 H new ATOM 0 HB2 GLU A 26 9.289 0.830 -29.157 1.00 11.12 H new ATOM 0 HB3 GLU A 26 9.770 1.669 -30.618 1.00 11.12 H new ATOM 0 HG2 GLU A 26 7.370 1.867 -31.273 1.00 24.12 H new ATOM 0 HG3 GLU A 26 6.911 1.075 -29.779 1.00 24.12 H new ATOM 414 N THR A 27 7.749 0.091 -32.972 1.00 73.12 N ATOM 415 CA THR A 27 7.548 0.340 -34.394 1.00 52.30 C ATOM 416 C THR A 27 6.757 1.624 -34.621 1.00 21.32 C ATOM 417 O THR A 27 6.392 2.316 -33.670 1.00 12.21 O ATOM 418 CB THR A 27 6.810 -0.830 -35.071 1.00 30.21 C ATOM 419 OG1 THR A 27 6.829 -0.664 -36.493 1.00 72.41 O ATOM 420 CG2 THR A 27 5.371 -0.917 -34.584 1.00 43.23 C ATOM 0 H THR A 27 6.889 0.047 -32.426 1.00 73.12 H new ATOM 0 HA THR A 27 8.538 0.442 -34.840 1.00 52.30 H new ATOM 0 HB THR A 27 7.322 -1.755 -34.807 1.00 30.21 H new ATOM 0 HG1 THR A 27 7.721 -0.373 -36.776 1.00 72.41 H new ATOM 0 HG21 THR A 27 4.870 -1.751 -35.076 1.00 43.23 H new ATOM 0 HG22 THR A 27 5.361 -1.073 -33.505 1.00 43.23 H new ATOM 0 HG23 THR A 27 4.850 0.010 -34.821 1.00 43.23 H new ATOM 428 N LEU A 28 6.495 1.936 -35.885 1.00 70.21 N ATOM 429 CA LEU A 28 5.745 3.137 -36.237 1.00 63.31 C ATOM 430 C LEU A 28 4.374 3.138 -35.570 1.00 34.51 C ATOM 431 O LEU A 28 3.821 4.195 -35.264 1.00 21.42 O ATOM 432 CB LEU A 28 5.587 3.236 -37.755 1.00 54.03 C ATOM 433 CG LEU A 28 4.595 2.261 -38.392 1.00 11.53 C ATOM 434 CD1 LEU A 28 3.203 2.872 -38.441 1.00 42.51 C ATOM 435 CD2 LEU A 28 5.056 1.867 -39.787 1.00 70.21 C ATOM 0 H LEU A 28 6.791 1.374 -36.683 1.00 70.21 H new ATOM 0 HA LEU A 28 6.303 4.002 -35.879 1.00 63.31 H new ATOM 0 HB2 LEU A 28 5.277 4.251 -38.002 1.00 54.03 H new ATOM 0 HB3 LEU A 28 6.564 3.080 -38.213 1.00 54.03 H new ATOM 0 HG LEU A 28 4.553 1.362 -37.778 1.00 11.53 H new ATOM 0 HD11 LEU A 28 2.511 2.164 -38.897 1.00 42.51 H new ATOM 0 HD12 LEU A 28 2.871 3.103 -37.429 1.00 42.51 H new ATOM 0 HD13 LEU A 28 3.228 3.787 -39.032 1.00 42.51 H new ATOM 0 HD21 LEU A 28 4.338 1.173 -40.225 1.00 70.21 H new ATOM 0 HD22 LEU A 28 5.127 2.757 -40.412 1.00 70.21 H new ATOM 0 HD23 LEU A 28 6.033 1.388 -39.725 1.00 70.21 H new ATOM 447 N HIS A 29 3.830 1.946 -35.345 1.00 72.51 N ATOM 448 CA HIS A 29 2.524 1.809 -34.711 1.00 35.51 C ATOM 449 C HIS A 29 2.589 2.208 -33.240 1.00 22.22 C ATOM 450 O HIS A 29 1.605 2.674 -32.668 1.00 74.13 O ATOM 451 CB HIS A 29 2.019 0.371 -34.839 1.00 61.11 C ATOM 452 CG HIS A 29 0.547 0.229 -34.601 1.00 3.01 C ATOM 453 ND1 HIS A 29 -0.406 0.722 -35.466 1.00 51.35 N ATOM 454 CD2 HIS A 29 -0.133 -0.357 -33.588 1.00 53.30 C ATOM 455 CE1 HIS A 29 -1.609 0.448 -34.995 1.00 74.34 C ATOM 456 NE2 HIS A 29 -1.472 -0.207 -33.857 1.00 24.04 N ATOM 0 H HIS A 29 4.274 1.061 -35.592 1.00 72.51 H new ATOM 0 HA HIS A 29 1.829 2.477 -35.220 1.00 35.51 H new ATOM 0 HB2 HIS A 29 2.255 -0.001 -35.836 1.00 61.11 H new ATOM 0 HB3 HIS A 29 2.556 -0.258 -34.129 1.00 61.11 H new ATOM 0 HD2 HIS A 29 0.297 -0.850 -32.729 1.00 53.30 H new ATOM 0 HE1 HIS A 29 -2.546 0.715 -35.462 1.00 74.34 H new ATOM 0 HE2 HIS A 29 -2.236 -0.546 -33.273 1.00 24.04 H new ATOM 464 N GLY A 30 3.757 2.021 -32.632 1.00 61.22 N ATOM 465 CA GLY A 30 3.929 2.367 -31.233 1.00 63.24 C ATOM 466 C GLY A 30 3.634 1.203 -30.308 1.00 14.43 C ATOM 467 O GLY A 30 2.883 1.343 -29.341 1.00 40.44 O ATOM 0 H GLY A 30 4.587 1.636 -33.083 1.00 61.22 H new ATOM 0 HA2 GLY A 30 4.951 2.707 -31.069 1.00 63.24 H new ATOM 0 HA3 GLY A 30 3.272 3.200 -30.984 1.00 63.24 H new ATOM 471 N THR A 31 4.223 0.049 -30.603 1.00 44.12 N ATOM 472 CA THR A 31 4.016 -1.145 -29.794 1.00 14.35 C ATOM 473 C THR A 31 5.239 -2.054 -29.830 1.00 53.23 C ATOM 474 O THR A 31 5.918 -2.156 -30.852 1.00 31.51 O ATOM 475 CB THR A 31 2.785 -1.939 -30.270 1.00 30.32 C ATOM 476 OG1 THR A 31 2.992 -2.409 -31.607 1.00 2.43 O ATOM 477 CG2 THR A 31 1.532 -1.079 -30.217 1.00 53.35 C ATOM 0 H THR A 31 4.848 -0.084 -31.398 1.00 44.12 H new ATOM 0 HA THR A 31 3.849 -0.808 -28.771 1.00 14.35 H new ATOM 0 HB THR A 31 2.650 -2.791 -29.603 1.00 30.32 H new ATOM 0 HG1 THR A 31 2.206 -2.914 -31.902 1.00 2.43 H new ATOM 0 HG21 THR A 31 0.676 -1.662 -30.558 1.00 53.35 H new ATOM 0 HG22 THR A 31 1.361 -0.748 -29.193 1.00 53.35 H new ATOM 0 HG23 THR A 31 1.660 -0.210 -30.863 1.00 53.35 H new ATOM 485 N VAL A 32 5.514 -2.713 -28.709 1.00 63.14 N ATOM 486 CA VAL A 32 6.655 -3.616 -28.614 1.00 41.13 C ATOM 487 C VAL A 32 6.203 -5.045 -28.337 1.00 22.22 C ATOM 488 O VAL A 32 5.260 -5.275 -27.579 1.00 52.51 O ATOM 489 CB VAL A 32 7.630 -3.173 -27.507 1.00 63.52 C ATOM 490 CG1 VAL A 32 6.999 -3.355 -26.135 1.00 53.44 C ATOM 491 CG2 VAL A 32 8.937 -3.947 -27.608 1.00 55.41 C ATOM 0 H VAL A 32 4.963 -2.639 -27.854 1.00 63.14 H new ATOM 0 HA VAL A 32 7.168 -3.581 -29.575 1.00 41.13 H new ATOM 0 HB VAL A 32 7.849 -2.114 -27.642 1.00 63.52 H new ATOM 0 HG11 VAL A 32 7.703 -3.037 -25.366 1.00 53.44 H new ATOM 0 HG12 VAL A 32 6.092 -2.753 -26.069 1.00 53.44 H new ATOM 0 HG13 VAL A 32 6.749 -4.405 -25.986 1.00 53.44 H new ATOM 0 HG21 VAL A 32 9.614 -3.622 -26.819 1.00 55.41 H new ATOM 0 HG22 VAL A 32 8.738 -5.013 -27.499 1.00 55.41 H new ATOM 0 HG23 VAL A 32 9.396 -3.761 -28.579 1.00 55.41 H new ATOM 501 N THR A 33 6.883 -6.006 -28.955 1.00 41.24 N ATOM 502 CA THR A 33 6.552 -7.414 -28.776 1.00 12.31 C ATOM 503 C THR A 33 7.609 -8.125 -27.939 1.00 12.11 C ATOM 504 O THR A 33 8.794 -7.802 -28.013 1.00 5.44 O ATOM 505 CB THR A 33 6.414 -8.135 -30.130 1.00 22.42 C ATOM 506 OG1 THR A 33 7.707 -8.340 -30.709 1.00 65.43 O ATOM 507 CG2 THR A 33 5.546 -7.331 -31.086 1.00 21.41 C ATOM 0 H THR A 33 7.667 -5.834 -29.584 1.00 41.24 H new ATOM 0 HA THR A 33 5.595 -7.450 -28.255 1.00 12.31 H new ATOM 0 HB THR A 33 5.937 -9.099 -29.956 1.00 22.42 H new ATOM 0 HG1 THR A 33 7.611 -8.800 -31.569 1.00 65.43 H new ATOM 0 HG21 THR A 33 5.463 -7.860 -32.035 1.00 21.41 H new ATOM 0 HG22 THR A 33 4.553 -7.202 -30.655 1.00 21.41 H new ATOM 0 HG23 THR A 33 5.999 -6.354 -31.254 1.00 21.41 H new ATOM 515 N VAL A 34 7.172 -9.096 -27.143 1.00 62.02 N ATOM 516 CA VAL A 34 8.082 -9.855 -26.293 1.00 13.53 C ATOM 517 C VAL A 34 7.876 -11.355 -26.469 1.00 12.15 C ATOM 518 O VAL A 34 6.749 -11.846 -26.420 1.00 33.14 O ATOM 519 CB VAL A 34 7.895 -9.492 -24.807 1.00 75.44 C ATOM 520 CG1 VAL A 34 6.483 -9.827 -24.350 1.00 21.03 C ATOM 521 CG2 VAL A 34 8.926 -10.210 -23.950 1.00 61.33 C ATOM 0 H VAL A 34 6.194 -9.375 -27.069 1.00 62.02 H new ATOM 0 HA VAL A 34 9.095 -9.593 -26.599 1.00 13.53 H new ATOM 0 HB VAL A 34 8.044 -8.418 -24.691 1.00 75.44 H new ATOM 0 HG11 VAL A 34 6.369 -9.564 -23.298 1.00 21.03 H new ATOM 0 HG12 VAL A 34 5.765 -9.263 -24.945 1.00 21.03 H new ATOM 0 HG13 VAL A 34 6.302 -10.894 -24.479 1.00 21.03 H new ATOM 0 HG21 VAL A 34 8.779 -9.942 -22.904 1.00 61.33 H new ATOM 0 HG22 VAL A 34 8.811 -11.287 -24.068 1.00 61.33 H new ATOM 0 HG23 VAL A 34 9.928 -9.916 -24.263 1.00 61.33 H new ATOM 531 N GLU A 35 8.973 -12.077 -26.673 1.00 31.31 N ATOM 532 CA GLU A 35 8.912 -13.523 -26.857 1.00 13.50 C ATOM 533 C GLU A 35 10.030 -14.217 -26.086 1.00 25.11 C ATOM 534 O GLU A 35 11.195 -13.827 -26.173 1.00 51.11 O ATOM 535 CB GLU A 35 9.007 -13.874 -28.343 1.00 60.21 C ATOM 536 CG GLU A 35 8.366 -15.206 -28.696 1.00 14.41 C ATOM 537 CD GLU A 35 8.654 -15.632 -30.122 1.00 71.31 C ATOM 538 OE1 GLU A 35 7.735 -15.546 -30.964 1.00 31.44 O ATOM 539 OE2 GLU A 35 9.797 -16.052 -30.397 1.00 23.11 O ATOM 0 H GLU A 35 9.914 -11.685 -26.715 1.00 31.31 H new ATOM 0 HA GLU A 35 7.956 -13.873 -26.469 1.00 13.50 H new ATOM 0 HB2 GLU A 35 8.530 -13.085 -28.925 1.00 60.21 H new ATOM 0 HB3 GLU A 35 10.057 -13.896 -28.636 1.00 60.21 H new ATOM 0 HG2 GLU A 35 8.729 -15.972 -28.011 1.00 14.41 H new ATOM 0 HG3 GLU A 35 7.288 -15.135 -28.553 1.00 14.41 H new ATOM 546 N VAL A 36 9.668 -15.249 -25.330 1.00 43.03 N ATOM 547 CA VAL A 36 10.640 -15.999 -24.544 1.00 3.13 C ATOM 548 C VAL A 36 10.504 -17.498 -24.786 1.00 13.04 C ATOM 549 O VAL A 36 9.564 -17.947 -25.441 1.00 32.22 O ATOM 550 CB VAL A 36 10.482 -15.716 -23.038 1.00 33.41 C ATOM 551 CG1 VAL A 36 10.590 -14.225 -22.760 1.00 4.01 C ATOM 552 CG2 VAL A 36 9.158 -16.267 -22.530 1.00 13.24 C ATOM 0 H VAL A 36 8.708 -15.584 -25.246 1.00 43.03 H new ATOM 0 HA VAL A 36 11.628 -15.671 -24.866 1.00 3.13 H new ATOM 0 HB VAL A 36 11.288 -16.219 -22.505 1.00 33.41 H new ATOM 0 HG11 VAL A 36 10.476 -14.045 -21.691 1.00 4.01 H new ATOM 0 HG12 VAL A 36 11.565 -13.864 -23.087 1.00 4.01 H new ATOM 0 HG13 VAL A 36 9.807 -13.696 -23.303 1.00 4.01 H new ATOM 0 HG21 VAL A 36 9.062 -16.059 -21.464 1.00 13.24 H new ATOM 0 HG22 VAL A 36 8.337 -15.793 -23.068 1.00 13.24 H new ATOM 0 HG23 VAL A 36 9.125 -17.344 -22.693 1.00 13.24 H new ATOM 562 N GLN A 37 11.448 -18.266 -24.252 1.00 34.44 N ATOM 563 CA GLN A 37 11.433 -19.716 -24.411 1.00 12.31 C ATOM 564 C GLN A 37 10.889 -20.395 -23.159 1.00 20.45 C ATOM 565 O GLN A 37 11.222 -20.011 -22.037 1.00 64.32 O ATOM 566 CB GLN A 37 12.841 -20.231 -24.715 1.00 14.13 C ATOM 567 CG GLN A 37 12.856 -21.556 -25.460 1.00 11.03 C ATOM 568 CD GLN A 37 14.061 -21.701 -26.368 1.00 1.01 C ATOM 569 OE1 GLN A 37 14.233 -20.751 -27.280 1.00 20.53 O flip ATOM 570 NE2 GLN A 37 14.829 -22.656 -26.252 1.00 4.04 N flip ATOM 0 H GLN A 37 12.232 -17.909 -23.706 1.00 34.44 H new ATOM 0 HA GLN A 37 10.777 -19.958 -25.247 1.00 12.31 H new ATOM 0 HB2 GLN A 37 13.372 -19.485 -25.306 1.00 14.13 H new ATOM 0 HB3 GLN A 37 13.388 -20.344 -23.779 1.00 14.13 H new ATOM 0 HG2 GLN A 37 12.848 -22.374 -24.739 1.00 11.03 H new ATOM 0 HG3 GLN A 37 11.946 -21.645 -26.053 1.00 11.03 H new ATOM 0 HE21 GLN A 37 14.659 -23.363 -25.537 1.00 4.04 H new ATOM 0 HE22 GLN A 37 15.636 -22.740 -26.871 1.00 4.04 H new ATOM 579 N TYR A 38 10.050 -21.406 -23.357 1.00 64.20 N ATOM 580 CA TYR A 38 9.460 -22.139 -22.244 1.00 21.44 C ATOM 581 C TYR A 38 9.884 -23.605 -22.270 1.00 51.25 C ATOM 582 O TYR A 38 9.319 -24.412 -23.008 1.00 24.33 O ATOM 583 CB TYR A 38 7.935 -22.037 -22.290 1.00 34.31 C ATOM 584 CG TYR A 38 7.428 -20.627 -22.490 1.00 10.23 C ATOM 585 CD1 TYR A 38 7.043 -19.846 -21.407 1.00 30.14 C ATOM 586 CD2 TYR A 38 7.333 -20.075 -23.761 1.00 42.02 C ATOM 587 CE1 TYR A 38 6.579 -18.557 -21.584 1.00 72.12 C ATOM 588 CE2 TYR A 38 6.872 -18.786 -23.948 1.00 73.52 C ATOM 589 CZ TYR A 38 6.495 -18.032 -22.857 1.00 5.32 C ATOM 590 OH TYR A 38 6.034 -16.748 -23.039 1.00 32.21 O ATOM 0 H TYR A 38 9.763 -21.736 -24.278 1.00 64.20 H new ATOM 0 HA TYR A 38 9.820 -21.692 -21.317 1.00 21.44 H new ATOM 0 HB2 TYR A 38 7.561 -22.666 -23.098 1.00 34.31 H new ATOM 0 HB3 TYR A 38 7.525 -22.433 -21.361 1.00 34.31 H new ATOM 0 HD1 TYR A 38 7.108 -20.254 -20.409 1.00 30.14 H new ATOM 0 HD2 TYR A 38 7.625 -20.664 -24.618 1.00 42.02 H new ATOM 0 HE1 TYR A 38 6.284 -17.964 -20.731 1.00 72.12 H new ATOM 0 HE2 TYR A 38 6.807 -18.371 -24.943 1.00 73.52 H new ATOM 0 HH TYR A 38 6.258 -16.206 -22.254 1.00 32.21 H new ATOM 600 N ALA A 39 10.882 -23.940 -21.460 1.00 23.12 N ATOM 601 CA ALA A 39 11.380 -25.308 -21.386 1.00 60.14 C ATOM 602 C ALA A 39 10.756 -26.057 -20.214 1.00 3.04 C ATOM 603 O ALA A 39 9.967 -26.981 -20.404 1.00 21.42 O ATOM 604 CB ALA A 39 12.897 -25.312 -21.271 1.00 22.22 C ATOM 0 H ALA A 39 11.362 -23.283 -20.845 1.00 23.12 H new ATOM 0 HA ALA A 39 11.095 -25.822 -22.304 1.00 60.14 H new ATOM 0 HB1 ALA A 39 13.255 -26.340 -21.217 1.00 22.22 H new ATOM 0 HB2 ALA A 39 13.329 -24.823 -22.144 1.00 22.22 H new ATOM 0 HB3 ALA A 39 13.195 -24.776 -20.370 1.00 22.22 H new ATOM 675 N LYS A 46 -0.126 -20.267 -16.585 1.00 73.25 N ATOM 676 CA LYS A 46 -0.208 -18.864 -16.974 1.00 70.32 C ATOM 677 C LYS A 46 1.178 -18.301 -17.273 1.00 14.34 C ATOM 678 O LYS A 46 2.159 -18.664 -16.625 1.00 23.14 O ATOM 679 CB LYS A 46 -0.876 -18.045 -15.867 1.00 61.14 C ATOM 680 CG LYS A 46 -1.428 -16.713 -16.345 1.00 63.13 C ATOM 681 CD LYS A 46 -2.336 -16.080 -15.304 1.00 60.24 C ATOM 682 CE LYS A 46 -1.556 -15.650 -14.072 1.00 21.25 C ATOM 683 NZ LYS A 46 -2.397 -14.859 -13.131 1.00 42.12 N ATOM 0 HA LYS A 46 -0.811 -18.798 -17.880 1.00 70.32 H new ATOM 0 HB2 LYS A 46 -1.687 -18.630 -15.433 1.00 61.14 H new ATOM 0 HB3 LYS A 46 -0.152 -17.865 -15.073 1.00 61.14 H new ATOM 0 HG2 LYS A 46 -0.604 -16.036 -16.570 1.00 63.13 H new ATOM 0 HG3 LYS A 46 -1.982 -16.859 -17.272 1.00 63.13 H new ATOM 0 HD2 LYS A 46 -2.840 -15.216 -15.737 1.00 60.24 H new ATOM 0 HD3 LYS A 46 -3.111 -16.790 -15.016 1.00 60.24 H new ATOM 0 HE2 LYS A 46 -1.170 -16.532 -13.561 1.00 21.25 H new ATOM 0 HE3 LYS A 46 -0.695 -15.056 -14.377 1.00 21.25 H new ATOM 0 HZ1 LYS A 46 -1.829 -14.585 -12.304 1.00 42.12 H new ATOM 0 HZ2 LYS A 46 -2.745 -14.004 -13.611 1.00 42.12 H new ATOM 0 HZ3 LYS A 46 -3.205 -15.435 -12.820 1.00 42.12 H new ATOM 697 N VAL A 47 1.250 -17.410 -18.257 1.00 0.04 N ATOM 698 CA VAL A 47 2.515 -16.795 -18.639 1.00 43.24 C ATOM 699 C VAL A 47 2.540 -15.315 -18.273 1.00 53.05 C ATOM 700 O VAL A 47 2.110 -14.453 -19.041 1.00 23.13 O ATOM 701 CB VAL A 47 2.777 -16.943 -20.150 1.00 23.31 C ATOM 702 CG1 VAL A 47 4.095 -16.286 -20.530 1.00 64.45 C ATOM 703 CG2 VAL A 47 2.768 -18.411 -20.550 1.00 4.10 C ATOM 0 H VAL A 47 0.447 -17.098 -18.804 1.00 0.04 H new ATOM 0 HA VAL A 47 3.299 -17.316 -18.089 1.00 43.24 H new ATOM 0 HB VAL A 47 1.978 -16.437 -20.692 1.00 23.31 H new ATOM 0 HG11 VAL A 47 4.263 -16.401 -21.601 1.00 64.45 H new ATOM 0 HG12 VAL A 47 4.058 -15.226 -20.280 1.00 64.45 H new ATOM 0 HG13 VAL A 47 4.909 -16.760 -19.982 1.00 64.45 H new ATOM 0 HG21 VAL A 47 2.955 -18.498 -21.620 1.00 4.10 H new ATOM 0 HG22 VAL A 47 3.546 -18.942 -20.002 1.00 4.10 H new ATOM 0 HG23 VAL A 47 1.797 -18.846 -20.315 1.00 4.10 H new ATOM 713 N PRO A 48 3.055 -15.011 -17.073 1.00 14.21 N ATOM 714 CA PRO A 48 3.150 -13.634 -16.578 1.00 72.21 C ATOM 715 C PRO A 48 4.187 -12.815 -17.339 1.00 74.13 C ATOM 716 O PRO A 48 5.246 -13.323 -17.706 1.00 33.33 O ATOM 717 CB PRO A 48 3.575 -13.811 -15.118 1.00 54.42 C ATOM 718 CG PRO A 48 4.272 -15.127 -15.083 1.00 11.41 C ATOM 719 CD PRO A 48 3.584 -15.987 -16.106 1.00 70.31 C ATOM 0 HA PRO A 48 2.213 -13.091 -16.701 1.00 72.21 H new ATOM 0 HB2 PRO A 48 4.235 -13.005 -14.797 1.00 54.42 H new ATOM 0 HB3 PRO A 48 2.713 -13.802 -14.451 1.00 54.42 H new ATOM 0 HG2 PRO A 48 5.331 -15.014 -15.316 1.00 11.41 H new ATOM 0 HG3 PRO A 48 4.210 -15.575 -14.091 1.00 11.41 H new ATOM 0 HD2 PRO A 48 4.278 -16.684 -16.577 1.00 70.31 H new ATOM 0 HD3 PRO A 48 2.788 -16.583 -15.660 1.00 70.31 H new ATOM 727 N ALA A 49 3.874 -11.545 -17.573 1.00 44.45 N ATOM 728 CA ALA A 49 4.780 -10.655 -18.291 1.00 33.34 C ATOM 729 C ALA A 49 4.491 -9.195 -17.960 1.00 55.13 C ATOM 730 O ALA A 49 3.375 -8.715 -18.157 1.00 13.44 O ATOM 731 CB ALA A 49 4.673 -10.890 -19.790 1.00 72.50 C ATOM 0 H ALA A 49 3.001 -11.109 -17.276 1.00 44.45 H new ATOM 0 HA ALA A 49 5.798 -10.878 -17.972 1.00 33.34 H new ATOM 0 HB1 ALA A 49 5.354 -10.219 -20.313 1.00 72.50 H new ATOM 0 HB2 ALA A 49 4.936 -11.923 -20.016 1.00 72.50 H new ATOM 0 HB3 ALA A 49 3.651 -10.696 -20.117 1.00 72.50 H new ATOM 737 N GLN A 50 5.503 -8.495 -17.458 1.00 35.24 N ATOM 738 CA GLN A 50 5.354 -7.090 -17.096 1.00 63.34 C ATOM 739 C GLN A 50 6.716 -6.420 -16.946 1.00 61.31 C ATOM 740 O GLN A 50 7.751 -7.085 -16.968 1.00 23.21 O ATOM 741 CB GLN A 50 4.561 -6.957 -15.795 1.00 72.34 C ATOM 742 CG GLN A 50 5.296 -7.492 -14.577 1.00 2.30 C ATOM 743 CD GLN A 50 4.592 -7.156 -13.277 1.00 24.11 C ATOM 744 OE1 GLN A 50 3.411 -7.457 -13.101 1.00 64.32 O ATOM 745 NE2 GLN A 50 5.316 -6.529 -12.357 1.00 34.14 N ATOM 0 H GLN A 50 6.434 -8.877 -17.293 1.00 35.24 H new ATOM 0 HA GLN A 50 4.809 -6.590 -17.897 1.00 63.34 H new ATOM 0 HB2 GLN A 50 4.321 -5.906 -15.632 1.00 72.34 H new ATOM 0 HB3 GLN A 50 3.615 -7.488 -15.900 1.00 72.34 H new ATOM 0 HG2 GLN A 50 5.395 -8.574 -14.663 1.00 2.30 H new ATOM 0 HG3 GLN A 50 6.305 -7.080 -14.556 1.00 2.30 H new ATOM 0 HE21 GLN A 50 6.292 -6.299 -12.545 1.00 34.14 H new ATOM 0 HE22 GLN A 50 4.896 -6.278 -11.462 1.00 34.14 H new ATOM 754 N MET A 51 6.707 -5.100 -16.794 1.00 32.01 N ATOM 755 CA MET A 51 7.942 -4.341 -16.638 1.00 11.53 C ATOM 756 C MET A 51 7.806 -3.304 -15.527 1.00 53.42 C ATOM 757 O MET A 51 6.710 -2.818 -15.250 1.00 54.32 O ATOM 758 CB MET A 51 8.312 -3.651 -17.952 1.00 72.35 C ATOM 759 CG MET A 51 7.222 -2.736 -18.486 1.00 42.51 C ATOM 760 SD MET A 51 7.212 -2.644 -20.287 1.00 0.12 S ATOM 761 CE MET A 51 8.558 -1.497 -20.575 1.00 34.30 C ATOM 0 H MET A 51 5.859 -4.534 -16.776 1.00 32.01 H new ATOM 0 HA MET A 51 8.735 -5.038 -16.366 1.00 11.53 H new ATOM 0 HB2 MET A 51 9.222 -3.070 -17.804 1.00 72.35 H new ATOM 0 HB3 MET A 51 8.537 -4.410 -18.701 1.00 72.35 H new ATOM 0 HG2 MET A 51 6.252 -3.092 -18.139 1.00 42.51 H new ATOM 0 HG3 MET A 51 7.360 -1.736 -18.076 1.00 42.51 H new ATOM 0 HE1 MET A 51 8.665 -1.324 -21.646 1.00 34.30 H new ATOM 0 HE2 MET A 51 8.345 -0.553 -20.074 1.00 34.30 H new ATOM 0 HE3 MET A 51 9.484 -1.916 -20.181 1.00 34.30 H new ATOM 771 N ALA A 52 8.926 -2.970 -14.895 1.00 11.32 N ATOM 772 CA ALA A 52 8.931 -1.989 -13.817 1.00 2.41 C ATOM 773 C ALA A 52 10.322 -1.395 -13.621 1.00 63.52 C ATOM 774 O ALA A 52 11.330 -2.080 -13.797 1.00 24.04 O ATOM 775 CB ALA A 52 8.439 -2.622 -12.524 1.00 72.12 C ATOM 0 H ALA A 52 9.842 -3.364 -15.111 1.00 11.32 H new ATOM 0 HA ALA A 52 8.254 -1.180 -14.093 1.00 2.41 H new ATOM 0 HB1 ALA A 52 8.448 -1.878 -11.728 1.00 72.12 H new ATOM 0 HB2 ALA A 52 7.423 -2.992 -12.663 1.00 72.12 H new ATOM 0 HB3 ALA A 52 9.093 -3.451 -12.253 1.00 72.12 H new ATOM 781 N VAL A 53 10.370 -0.118 -13.257 1.00 41.23 N ATOM 782 CA VAL A 53 11.638 0.568 -13.039 1.00 21.12 C ATOM 783 C VAL A 53 12.168 0.309 -11.633 1.00 15.43 C ATOM 784 O VAL A 53 13.374 0.177 -11.427 1.00 41.11 O ATOM 785 CB VAL A 53 11.499 2.087 -13.252 1.00 33.12 C ATOM 786 CG1 VAL A 53 12.855 2.768 -13.147 1.00 71.32 C ATOM 787 CG2 VAL A 53 10.849 2.379 -14.596 1.00 71.50 C ATOM 0 H VAL A 53 9.545 0.463 -13.107 1.00 41.23 H new ATOM 0 HA VAL A 53 12.343 0.170 -13.769 1.00 21.12 H new ATOM 0 HB VAL A 53 10.856 2.489 -12.468 1.00 33.12 H new ATOM 0 HG11 VAL A 53 12.736 3.841 -13.300 1.00 71.32 H new ATOM 0 HG12 VAL A 53 13.277 2.587 -12.159 1.00 71.32 H new ATOM 0 HG13 VAL A 53 13.524 2.365 -13.907 1.00 71.32 H new ATOM 0 HG21 VAL A 53 10.759 3.457 -14.730 1.00 71.50 H new ATOM 0 HG22 VAL A 53 11.463 1.964 -15.395 1.00 71.50 H new ATOM 0 HG23 VAL A 53 9.858 1.925 -14.627 1.00 71.50 H new ATOM 797 N ASP A 54 11.257 0.238 -10.668 1.00 3.22 N ATOM 798 CA ASP A 54 11.632 -0.006 -9.280 1.00 31.32 C ATOM 799 C ASP A 54 11.594 -1.498 -8.961 1.00 41.34 C ATOM 800 O ASP A 54 10.803 -2.245 -9.535 1.00 55.14 O ATOM 801 CB ASP A 54 10.698 0.753 -8.336 1.00 4.22 C ATOM 802 CG ASP A 54 11.111 2.200 -8.154 1.00 4.44 C ATOM 803 OD1 ASP A 54 12.145 2.445 -7.496 1.00 32.41 O ATOM 804 OD2 ASP A 54 10.402 3.089 -8.670 1.00 31.15 O ATOM 0 H ASP A 54 10.254 0.346 -10.822 1.00 3.22 H new ATOM 0 HA ASP A 54 12.651 0.353 -9.137 1.00 31.32 H new ATOM 0 HB2 ASP A 54 9.681 0.715 -8.727 1.00 4.22 H new ATOM 0 HB3 ASP A 54 10.685 0.257 -7.366 1.00 4.22 H new ATOM 809 N MET A 55 12.456 -1.924 -8.044 1.00 11.33 N ATOM 810 CA MET A 55 12.522 -3.326 -7.651 1.00 32.54 C ATOM 811 C MET A 55 11.741 -3.567 -6.363 1.00 31.45 C ATOM 812 O MET A 55 11.096 -4.603 -6.203 1.00 14.03 O ATOM 813 CB MET A 55 13.978 -3.759 -7.467 1.00 13.25 C ATOM 814 CG MET A 55 14.181 -5.263 -7.553 1.00 54.22 C ATOM 815 SD MET A 55 15.799 -5.781 -6.952 1.00 25.13 S ATOM 816 CE MET A 55 15.355 -7.216 -5.976 1.00 13.20 C ATOM 0 H MET A 55 13.118 -1.318 -7.559 1.00 11.33 H new ATOM 0 HA MET A 55 12.071 -3.921 -8.445 1.00 32.54 H new ATOM 0 HB2 MET A 55 14.591 -3.274 -8.226 1.00 13.25 H new ATOM 0 HB3 MET A 55 14.333 -3.408 -6.498 1.00 13.25 H new ATOM 0 HG2 MET A 55 13.405 -5.764 -6.974 1.00 54.22 H new ATOM 0 HG3 MET A 55 14.063 -5.583 -8.588 1.00 54.22 H new ATOM 0 HE1 MET A 55 16.253 -7.649 -5.537 1.00 13.20 H new ATOM 0 HE2 MET A 55 14.670 -6.918 -5.182 1.00 13.20 H new ATOM 0 HE3 MET A 55 14.871 -7.955 -6.615 1.00 13.20 H new ATOM 826 N GLN A 56 11.805 -2.605 -5.448 1.00 60.01 N ATOM 827 CA GLN A 56 11.104 -2.715 -4.174 1.00 43.41 C ATOM 828 C GLN A 56 9.594 -2.666 -4.378 1.00 13.33 C ATOM 829 O GLN A 56 8.840 -3.355 -3.689 1.00 64.22 O ATOM 830 CB GLN A 56 11.540 -1.593 -3.230 1.00 42.31 C ATOM 831 CG GLN A 56 11.220 -1.868 -1.770 1.00 1.43 C ATOM 832 CD GLN A 56 11.934 -3.094 -1.236 1.00 44.14 C ATOM 833 OE1 GLN A 56 13.159 -3.197 -1.315 1.00 51.45 O ATOM 834 NE2 GLN A 56 11.171 -4.033 -0.689 1.00 2.51 N ATOM 0 H GLN A 56 12.335 -1.741 -5.565 1.00 60.01 H new ATOM 0 HA GLN A 56 11.361 -3.676 -3.728 1.00 43.41 H new ATOM 0 HB2 GLN A 56 12.614 -1.438 -3.335 1.00 42.31 H new ATOM 0 HB3 GLN A 56 11.053 -0.666 -3.532 1.00 42.31 H new ATOM 0 HG2 GLN A 56 11.499 -1.001 -1.172 1.00 1.43 H new ATOM 0 HG3 GLN A 56 10.144 -2.001 -1.657 1.00 1.43 H new ATOM 0 HE21 GLN A 56 10.160 -3.907 -0.644 1.00 2.51 H new ATOM 0 HE22 GLN A 56 11.596 -4.881 -0.313 1.00 2.51 H new ATOM 843 N THR A 57 9.156 -1.846 -5.328 1.00 53.40 N ATOM 844 CA THR A 57 7.735 -1.704 -5.620 1.00 51.11 C ATOM 845 C THR A 57 7.330 -2.563 -6.812 1.00 62.52 C ATOM 846 O THR A 57 6.336 -3.288 -6.759 1.00 32.51 O ATOM 847 CB THR A 57 7.365 -0.237 -5.910 1.00 74.11 C ATOM 848 OG1 THR A 57 8.071 0.227 -7.066 1.00 3.33 O ATOM 849 CG2 THR A 57 7.693 0.650 -4.718 1.00 73.34 C ATOM 0 H THR A 57 9.765 -1.270 -5.909 1.00 53.40 H new ATOM 0 HA THR A 57 7.196 -2.039 -4.734 1.00 51.11 H new ATOM 0 HB THR A 57 6.292 -0.186 -6.096 1.00 74.11 H new ATOM 0 HG1 THR A 57 7.829 1.160 -7.245 1.00 3.33 H new ATOM 0 HG21 THR A 57 7.423 1.681 -4.946 1.00 73.34 H new ATOM 0 HG22 THR A 57 7.131 0.312 -3.847 1.00 73.34 H new ATOM 0 HG23 THR A 57 8.760 0.593 -4.505 1.00 73.34 H new ATOM 857 N LEU A 58 8.106 -2.479 -7.887 1.00 24.11 N ATOM 858 CA LEU A 58 7.828 -3.250 -9.094 1.00 4.01 C ATOM 859 C LEU A 58 6.394 -3.030 -9.562 1.00 54.43 C ATOM 860 O LEU A 58 5.723 -3.962 -10.006 1.00 61.41 O ATOM 861 CB LEU A 58 8.071 -4.739 -8.839 1.00 52.41 C ATOM 862 CG LEU A 58 9.533 -5.183 -8.798 1.00 23.12 C ATOM 863 CD1 LEU A 58 9.677 -6.472 -8.004 1.00 62.42 C ATOM 864 CD2 LEU A 58 10.077 -5.359 -10.208 1.00 61.31 C ATOM 0 H LEU A 58 8.933 -1.885 -7.948 1.00 24.11 H new ATOM 0 HA LEU A 58 8.503 -2.907 -9.878 1.00 4.01 H new ATOM 0 HB2 LEU A 58 7.605 -5.006 -7.891 1.00 52.41 H new ATOM 0 HB3 LEU A 58 7.561 -5.308 -9.616 1.00 52.41 H new ATOM 0 HG LEU A 58 10.115 -4.407 -8.300 1.00 23.12 H new ATOM 0 HD11 LEU A 58 10.724 -6.773 -7.986 1.00 62.42 H new ATOM 0 HD12 LEU A 58 9.327 -6.312 -6.984 1.00 62.42 H new ATOM 0 HD13 LEU A 58 9.082 -7.256 -8.473 1.00 62.42 H new ATOM 0 HD21 LEU A 58 11.119 -5.675 -10.159 1.00 61.31 H new ATOM 0 HD22 LEU A 58 9.492 -6.115 -10.732 1.00 61.31 H new ATOM 0 HD23 LEU A 58 10.010 -4.413 -10.745 1.00 61.31 H new ATOM 876 N THR A 59 5.928 -1.788 -9.463 1.00 31.32 N ATOM 877 CA THR A 59 4.573 -1.445 -9.877 1.00 4.35 C ATOM 878 C THR A 59 4.324 -1.842 -11.327 1.00 1.10 C ATOM 879 O THR A 59 5.241 -1.902 -12.146 1.00 5.21 O ATOM 880 CB THR A 59 4.302 0.063 -9.715 1.00 61.01 C ATOM 881 OG1 THR A 59 5.511 0.803 -9.921 1.00 74.03 O ATOM 882 CG2 THR A 59 3.744 0.368 -8.333 1.00 25.40 C ATOM 0 H THR A 59 6.469 -1.004 -9.100 1.00 31.32 H new ATOM 0 HA THR A 59 3.894 -2.001 -9.230 1.00 4.35 H new ATOM 0 HB THR A 59 3.564 0.359 -10.460 1.00 61.01 H new ATOM 0 HG1 THR A 59 5.330 1.761 -9.818 1.00 74.03 H new ATOM 0 HG21 THR A 59 3.561 1.439 -8.243 1.00 25.40 H new ATOM 0 HG22 THR A 59 2.809 -0.173 -8.191 1.00 25.40 H new ATOM 0 HG23 THR A 59 4.462 0.058 -7.574 1.00 25.40 H new ATOM 890 N PRO A 60 3.054 -2.120 -11.655 1.00 54.33 N ATOM 891 CA PRO A 60 2.654 -2.515 -13.009 1.00 62.21 C ATOM 892 C PRO A 60 2.763 -1.365 -14.005 1.00 21.42 C ATOM 893 O PRO A 60 2.036 -0.377 -13.909 1.00 12.31 O ATOM 894 CB PRO A 60 1.193 -2.938 -12.839 1.00 20.24 C ATOM 895 CG PRO A 60 0.719 -2.189 -11.641 1.00 50.24 C ATOM 896 CD PRO A 60 1.909 -2.069 -10.730 1.00 41.52 C ATOM 0 HA PRO A 60 3.295 -3.300 -13.410 1.00 62.21 H new ATOM 0 HB2 PRO A 60 0.603 -2.688 -13.721 1.00 20.24 H new ATOM 0 HB3 PRO A 60 1.107 -4.015 -12.692 1.00 20.24 H new ATOM 0 HG2 PRO A 60 0.341 -1.206 -11.920 1.00 50.24 H new ATOM 0 HG3 PRO A 60 -0.098 -2.717 -11.149 1.00 50.24 H new ATOM 0 HD2 PRO A 60 1.890 -1.137 -10.165 1.00 41.52 H new ATOM 0 HD3 PRO A 60 1.943 -2.881 -10.004 1.00 41.52 H new ATOM 904 N VAL A 61 3.676 -1.501 -14.961 1.00 60.44 N ATOM 905 CA VAL A 61 3.879 -0.474 -15.976 1.00 73.53 C ATOM 906 C VAL A 61 3.299 -0.906 -17.319 1.00 24.53 C ATOM 907 O VAL A 61 3.422 -2.064 -17.716 1.00 30.41 O ATOM 908 CB VAL A 61 5.374 -0.150 -16.155 1.00 53.25 C ATOM 909 CG1 VAL A 61 5.554 1.036 -17.090 1.00 43.53 C ATOM 910 CG2 VAL A 61 6.025 0.119 -14.807 1.00 43.14 C ATOM 0 H VAL A 61 4.287 -2.312 -15.054 1.00 60.44 H new ATOM 0 HA VAL A 61 3.360 0.420 -15.630 1.00 73.53 H new ATOM 0 HB VAL A 61 5.865 -1.014 -16.604 1.00 53.25 H new ATOM 0 HG11 VAL A 61 6.616 1.251 -17.205 1.00 43.53 H new ATOM 0 HG12 VAL A 61 5.124 0.800 -18.064 1.00 43.53 H new ATOM 0 HG13 VAL A 61 5.051 1.908 -16.673 1.00 43.53 H new ATOM 0 HG21 VAL A 61 7.081 0.346 -14.952 1.00 43.14 H new ATOM 0 HG22 VAL A 61 5.534 0.966 -14.328 1.00 43.14 H new ATOM 0 HG23 VAL A 61 5.927 -0.762 -14.173 1.00 43.14 H new ATOM 920 N GLY A 62 2.667 0.034 -18.015 1.00 22.24 N ATOM 921 CA GLY A 62 2.078 -0.269 -19.306 1.00 33.04 C ATOM 922 C GLY A 62 0.740 -0.972 -19.182 1.00 2.42 C ATOM 923 O GLY A 62 0.403 -1.496 -18.120 1.00 61.45 O ATOM 0 H GLY A 62 2.552 1.000 -17.708 1.00 22.24 H new ATOM 0 HA2 GLY A 62 1.949 0.655 -19.869 1.00 33.04 H new ATOM 0 HA3 GLY A 62 2.763 -0.896 -19.876 1.00 33.04 H new ATOM 927 N ARG A 63 -0.025 -0.981 -20.269 1.00 5.53 N ATOM 928 CA ARG A 63 -1.334 -1.621 -20.276 1.00 70.42 C ATOM 929 C ARG A 63 -1.255 -3.013 -20.897 1.00 43.14 C ATOM 930 O ARG A 63 -0.174 -3.485 -21.253 1.00 71.03 O ATOM 931 CB ARG A 63 -2.341 -0.764 -21.046 1.00 25.30 C ATOM 932 CG ARG A 63 -2.504 0.637 -20.481 1.00 54.34 C ATOM 933 CD ARG A 63 -3.209 0.616 -19.134 1.00 2.31 C ATOM 934 NE ARG A 63 -3.548 1.960 -18.673 1.00 32.23 N ATOM 935 CZ ARG A 63 -4.328 2.202 -17.625 1.00 72.01 C ATOM 936 NH1 ARG A 63 -4.846 1.196 -16.934 1.00 13.35 N ATOM 937 NH2 ARG A 63 -4.591 3.452 -17.267 1.00 10.30 N ATOM 0 H ARG A 63 0.240 -0.552 -21.156 1.00 5.53 H new ATOM 0 HA ARG A 63 -1.667 -1.721 -19.243 1.00 70.42 H new ATOM 0 HB2 ARG A 63 -2.024 -0.693 -22.087 1.00 25.30 H new ATOM 0 HB3 ARG A 63 -3.310 -1.264 -21.041 1.00 25.30 H new ATOM 0 HG2 ARG A 63 -1.525 1.103 -20.373 1.00 54.34 H new ATOM 0 HG3 ARG A 63 -3.073 1.249 -21.181 1.00 54.34 H new ATOM 0 HD2 ARG A 63 -4.118 0.019 -19.210 1.00 2.31 H new ATOM 0 HD3 ARG A 63 -2.569 0.131 -18.397 1.00 2.31 H new ATOM 0 HE ARG A 63 -3.165 2.756 -19.183 1.00 32.23 H new ATOM 0 HH11 ARG A 63 -4.646 0.234 -17.207 1.00 13.35 H new ATOM 0 HH12 ARG A 63 -5.444 1.384 -16.130 1.00 13.35 H new ATOM 0 HH21 ARG A 63 -4.194 4.228 -17.796 1.00 10.30 H new ATOM 0 HH22 ARG A 63 -5.190 3.637 -16.462 1.00 10.30 H new ATOM 951 N LEU A 64 -2.405 -3.665 -21.024 1.00 51.11 N ATOM 952 CA LEU A 64 -2.467 -5.003 -21.603 1.00 3.34 C ATOM 953 C LEU A 64 -3.225 -4.989 -22.926 1.00 63.31 C ATOM 954 O LEU A 64 -4.403 -4.635 -22.974 1.00 70.02 O ATOM 955 CB LEU A 64 -3.138 -5.971 -20.627 1.00 70.11 C ATOM 956 CG LEU A 64 -2.483 -6.100 -19.251 1.00 40.34 C ATOM 957 CD1 LEU A 64 -3.469 -6.665 -18.241 1.00 55.42 C ATOM 958 CD2 LEU A 64 -1.240 -6.974 -19.332 1.00 50.12 C ATOM 0 H LEU A 64 -3.308 -3.289 -20.734 1.00 51.11 H new ATOM 0 HA LEU A 64 -1.447 -5.338 -21.794 1.00 3.34 H new ATOM 0 HB2 LEU A 64 -4.172 -5.655 -20.487 1.00 70.11 H new ATOM 0 HB3 LEU A 64 -3.166 -6.958 -21.088 1.00 70.11 H new ATOM 0 HG LEU A 64 -2.183 -5.106 -18.918 1.00 40.34 H new ATOM 0 HD11 LEU A 64 -2.985 -6.750 -17.268 1.00 55.42 H new ATOM 0 HD12 LEU A 64 -4.329 -6.001 -18.162 1.00 55.42 H new ATOM 0 HD13 LEU A 64 -3.800 -7.650 -18.568 1.00 55.42 H new ATOM 0 HD21 LEU A 64 -0.787 -7.055 -18.344 1.00 50.12 H new ATOM 0 HD22 LEU A 64 -1.516 -7.967 -19.687 1.00 50.12 H new ATOM 0 HD23 LEU A 64 -0.525 -6.527 -20.023 1.00 50.12 H new ATOM 970 N ILE A 65 -2.542 -5.379 -23.997 1.00 63.21 N ATOM 971 CA ILE A 65 -3.152 -5.416 -25.320 1.00 73.51 C ATOM 972 C ILE A 65 -3.683 -6.809 -25.641 1.00 74.33 C ATOM 973 O ILE A 65 -4.772 -6.958 -26.197 1.00 72.52 O ATOM 974 CB ILE A 65 -2.153 -4.996 -26.414 1.00 4.35 C ATOM 975 CG1 ILE A 65 -1.613 -3.592 -26.129 1.00 74.34 C ATOM 976 CG2 ILE A 65 -2.813 -5.048 -27.783 1.00 62.22 C ATOM 977 CD1 ILE A 65 -0.390 -3.584 -25.240 1.00 44.23 C ATOM 0 H ILE A 65 -1.566 -5.674 -23.974 1.00 63.21 H new ATOM 0 HA ILE A 65 -3.980 -4.707 -25.305 1.00 73.51 H new ATOM 0 HB ILE A 65 -1.317 -5.695 -26.410 1.00 4.35 H new ATOM 0 HG12 ILE A 65 -1.368 -3.107 -27.074 1.00 74.34 H new ATOM 0 HG13 ILE A 65 -2.397 -2.998 -25.660 1.00 74.34 H new ATOM 0 HG21 ILE A 65 -2.094 -4.748 -28.545 1.00 62.22 H new ATOM 0 HG22 ILE A 65 -3.153 -6.064 -27.985 1.00 62.22 H new ATOM 0 HG23 ILE A 65 -3.666 -4.369 -27.802 1.00 62.22 H new ATOM 0 HD11 ILE A 65 -0.063 -2.557 -25.081 1.00 44.23 H new ATOM 0 HD12 ILE A 65 -0.635 -4.040 -24.281 1.00 44.23 H new ATOM 0 HD13 ILE A 65 0.410 -4.150 -25.717 1.00 44.23 H new ATOM 989 N THR A 66 -2.908 -7.829 -25.286 1.00 62.11 N ATOM 990 CA THR A 66 -3.299 -9.210 -25.536 1.00 74.41 C ATOM 991 C THR A 66 -4.477 -9.616 -24.658 1.00 13.45 C ATOM 992 O THR A 66 -4.915 -8.851 -23.798 1.00 41.14 O ATOM 993 CB THR A 66 -2.129 -10.180 -25.286 1.00 32.25 C ATOM 994 OG1 THR A 66 -0.957 -9.447 -24.913 1.00 63.33 O ATOM 995 CG2 THR A 66 -1.841 -11.012 -26.526 1.00 22.31 C ATOM 0 H THR A 66 -2.005 -7.724 -24.824 1.00 62.11 H new ATOM 0 HA THR A 66 -3.593 -9.270 -26.584 1.00 74.41 H new ATOM 0 HB THR A 66 -2.410 -10.852 -24.475 1.00 32.25 H new ATOM 0 HG1 THR A 66 -0.218 -10.071 -24.754 1.00 63.33 H new ATOM 0 HG21 THR A 66 -1.011 -11.689 -26.325 1.00 22.31 H new ATOM 0 HG22 THR A 66 -2.726 -11.591 -26.789 1.00 22.31 H new ATOM 0 HG23 THR A 66 -1.579 -10.353 -27.354 1.00 22.31 H new ATOM 1003 N ALA A 67 -4.986 -10.823 -24.878 1.00 72.40 N ATOM 1004 CA ALA A 67 -6.112 -11.331 -24.104 1.00 30.01 C ATOM 1005 C ALA A 67 -5.638 -12.252 -22.985 1.00 30.12 C ATOM 1006 O ALA A 67 -5.922 -12.015 -21.811 1.00 64.34 O ATOM 1007 CB ALA A 67 -7.091 -12.061 -25.012 1.00 4.10 C ATOM 0 H ALA A 67 -4.636 -11.468 -25.586 1.00 72.40 H new ATOM 0 HA ALA A 67 -6.621 -10.481 -23.649 1.00 30.01 H new ATOM 0 HB1 ALA A 67 -7.927 -12.435 -24.420 1.00 4.10 H new ATOM 0 HB2 ALA A 67 -7.463 -11.374 -25.772 1.00 4.10 H new ATOM 0 HB3 ALA A 67 -6.585 -12.897 -25.495 1.00 4.10 H new ATOM 1013 N ASN A 68 -4.915 -13.304 -23.356 1.00 53.35 N ATOM 1014 CA ASN A 68 -4.402 -14.261 -22.383 1.00 73.12 C ATOM 1015 C ASN A 68 -3.587 -15.352 -23.071 1.00 2.12 C ATOM 1016 O ASN A 68 -4.009 -16.503 -23.177 1.00 72.52 O ATOM 1017 CB ASN A 68 -5.555 -14.889 -21.598 1.00 34.20 C ATOM 1018 CG ASN A 68 -6.704 -15.309 -22.494 1.00 54.34 C ATOM 1019 OD1 ASN A 68 -7.507 -14.479 -22.923 1.00 62.20 O ATOM 1020 ND2 ASN A 68 -6.789 -16.602 -22.782 1.00 24.52 N ATOM 0 H ASN A 68 -4.671 -13.515 -24.324 1.00 53.35 H new ATOM 0 HA ASN A 68 -3.750 -13.726 -21.693 1.00 73.12 H new ATOM 0 HB2 ASN A 68 -5.188 -15.758 -21.051 1.00 34.20 H new ATOM 0 HB3 ASN A 68 -5.917 -14.176 -20.857 1.00 34.20 H new ATOM 0 HD21 ASN A 68 -7.541 -16.943 -23.380 1.00 24.52 H new ATOM 0 HD22 ASN A 68 -6.102 -17.255 -22.405 1.00 24.52 H new ATOM 1027 N PRO A 69 -2.389 -14.983 -23.549 1.00 11.22 N ATOM 1028 CA PRO A 69 -1.488 -15.915 -24.233 1.00 32.34 C ATOM 1029 C PRO A 69 -0.899 -16.953 -23.284 1.00 22.14 C ATOM 1030 O PRO A 69 -0.385 -16.614 -22.218 1.00 13.45 O ATOM 1031 CB PRO A 69 -0.386 -15.006 -24.781 1.00 51.43 C ATOM 1032 CG PRO A 69 -0.392 -13.818 -23.882 1.00 30.24 C ATOM 1033 CD PRO A 69 -1.822 -13.627 -23.458 1.00 11.10 C ATOM 0 HA PRO A 69 -2.004 -16.492 -25.000 1.00 32.34 H new ATOM 0 HB2 PRO A 69 0.582 -15.506 -24.769 1.00 51.43 H new ATOM 0 HB3 PRO A 69 -0.585 -14.721 -25.814 1.00 51.43 H new ATOM 0 HG2 PRO A 69 0.253 -13.979 -23.018 1.00 30.24 H new ATOM 0 HG3 PRO A 69 -0.017 -12.935 -24.400 1.00 30.24 H new ATOM 0 HD2 PRO A 69 -1.891 -13.230 -22.445 1.00 11.10 H new ATOM 0 HD3 PRO A 69 -2.345 -12.928 -24.111 1.00 11.10 H new ATOM 1041 N VAL A 70 -0.976 -18.220 -23.678 1.00 22.30 N ATOM 1042 CA VAL A 70 -0.448 -19.308 -22.863 1.00 40.01 C ATOM 1043 C VAL A 70 0.173 -20.395 -23.733 1.00 72.20 C ATOM 1044 O VAL A 70 -0.171 -20.537 -24.907 1.00 14.22 O ATOM 1045 CB VAL A 70 -1.546 -19.934 -21.984 1.00 34.44 C ATOM 1046 CG1 VAL A 70 -2.172 -18.883 -21.080 1.00 41.42 C ATOM 1047 CG2 VAL A 70 -2.604 -20.603 -22.849 1.00 20.34 C ATOM 0 H VAL A 70 -1.399 -18.519 -24.557 1.00 22.30 H new ATOM 0 HA VAL A 70 0.320 -18.878 -22.220 1.00 40.01 H new ATOM 0 HB VAL A 70 -1.090 -20.696 -21.352 1.00 34.44 H new ATOM 0 HG11 VAL A 70 -2.946 -19.345 -20.467 1.00 41.42 H new ATOM 0 HG12 VAL A 70 -1.405 -18.455 -20.435 1.00 41.42 H new ATOM 0 HG13 VAL A 70 -2.615 -18.095 -21.690 1.00 41.42 H new ATOM 0 HG21 VAL A 70 -3.372 -21.040 -22.211 1.00 20.34 H new ATOM 0 HG22 VAL A 70 -3.057 -19.862 -23.507 1.00 20.34 H new ATOM 0 HG23 VAL A 70 -2.141 -21.387 -23.449 1.00 20.34 H new ATOM 1057 N ILE A 71 1.089 -21.161 -23.150 1.00 12.23 N ATOM 1058 CA ILE A 71 1.756 -22.237 -23.871 1.00 45.25 C ATOM 1059 C ILE A 71 0.976 -23.542 -23.759 1.00 15.32 C ATOM 1060 O ILE A 71 0.757 -24.055 -22.661 1.00 71.30 O ATOM 1061 CB ILE A 71 3.188 -22.462 -23.349 1.00 52.52 C ATOM 1062 CG1 ILE A 71 3.944 -21.133 -23.283 1.00 23.21 C ATOM 1063 CG2 ILE A 71 3.925 -23.454 -24.236 1.00 4.31 C ATOM 1064 CD1 ILE A 71 4.150 -20.487 -24.635 1.00 13.31 C ATOM 0 H ILE A 71 1.386 -21.056 -22.180 1.00 12.23 H new ATOM 0 HA ILE A 71 1.802 -21.933 -24.917 1.00 45.25 H new ATOM 0 HB ILE A 71 3.132 -22.877 -22.343 1.00 52.52 H new ATOM 0 HG12 ILE A 71 3.396 -20.444 -22.640 1.00 23.21 H new ATOM 0 HG13 ILE A 71 4.915 -21.300 -22.817 1.00 23.21 H new ATOM 0 HG21 ILE A 71 4.935 -23.603 -23.854 1.00 4.31 H new ATOM 0 HG22 ILE A 71 3.394 -24.406 -24.237 1.00 4.31 H new ATOM 0 HG23 ILE A 71 3.975 -23.065 -25.253 1.00 4.31 H new ATOM 0 HD11 ILE A 71 4.692 -19.550 -24.511 1.00 13.31 H new ATOM 0 HD12 ILE A 71 4.725 -21.157 -25.275 1.00 13.31 H new ATOM 0 HD13 ILE A 71 3.182 -20.288 -25.095 1.00 13.31 H new ATOM 1076 N THR A 72 0.558 -24.076 -24.902 1.00 53.34 N ATOM 1077 CA THR A 72 -0.197 -25.322 -24.933 1.00 62.22 C ATOM 1078 C THR A 72 0.609 -26.437 -25.590 1.00 44.20 C ATOM 1079 O THR A 72 0.526 -27.596 -25.186 1.00 13.00 O ATOM 1080 CB THR A 72 -1.529 -25.154 -25.688 1.00 62.13 C ATOM 1081 OG1 THR A 72 -1.280 -24.727 -27.032 1.00 44.21 O ATOM 1082 CG2 THR A 72 -2.424 -24.144 -24.987 1.00 54.24 C ATOM 0 H THR A 72 0.730 -23.664 -25.819 1.00 53.34 H new ATOM 0 HA THR A 72 -0.406 -25.590 -23.897 1.00 62.22 H new ATOM 0 HB THR A 72 -2.038 -26.118 -25.702 1.00 62.13 H new ATOM 0 HG1 THR A 72 -2.132 -24.624 -27.506 1.00 44.21 H new ATOM 0 HG21 THR A 72 -3.359 -24.042 -25.538 1.00 54.24 H new ATOM 0 HG22 THR A 72 -2.636 -24.487 -23.974 1.00 54.24 H new ATOM 0 HG23 THR A 72 -1.920 -23.178 -24.945 1.00 54.24 H new ATOM 1090 N GLU A 73 1.390 -26.078 -26.604 1.00 43.51 N ATOM 1091 CA GLU A 73 2.211 -27.049 -27.317 1.00 73.53 C ATOM 1092 C GLU A 73 3.156 -27.770 -26.360 1.00 41.13 C ATOM 1093 O GLU A 73 3.734 -27.157 -25.463 1.00 43.31 O ATOM 1094 CB GLU A 73 3.014 -26.360 -28.422 1.00 12.50 C ATOM 1095 CG GLU A 73 2.155 -25.823 -29.555 1.00 34.14 C ATOM 1096 CD GLU A 73 2.975 -25.174 -30.652 1.00 1.40 C ATOM 1097 OE1 GLU A 73 2.473 -24.219 -31.281 1.00 52.14 O ATOM 1098 OE2 GLU A 73 4.119 -25.620 -30.882 1.00 14.54 O ATOM 0 H GLU A 73 1.471 -25.122 -26.950 1.00 43.51 H new ATOM 0 HA GLU A 73 1.546 -27.786 -27.768 1.00 73.53 H new ATOM 0 HB2 GLU A 73 3.583 -25.538 -27.987 1.00 12.50 H new ATOM 0 HB3 GLU A 73 3.737 -27.067 -28.829 1.00 12.50 H new ATOM 0 HG2 GLU A 73 1.569 -26.638 -29.979 1.00 34.14 H new ATOM 0 HG3 GLU A 73 1.448 -25.095 -29.156 1.00 34.14 H new ATOM 1105 N SER A 74 3.307 -29.076 -26.558 1.00 45.55 N ATOM 1106 CA SER A 74 4.179 -29.881 -25.711 1.00 71.33 C ATOM 1107 C SER A 74 5.590 -29.946 -26.289 1.00 13.45 C ATOM 1108 O SER A 74 6.576 -29.949 -25.551 1.00 41.22 O ATOM 1109 CB SER A 74 3.613 -31.294 -25.559 1.00 71.51 C ATOM 1110 OG SER A 74 3.423 -31.907 -26.823 1.00 2.40 O ATOM 0 H SER A 74 2.837 -29.599 -27.297 1.00 45.55 H new ATOM 0 HA SER A 74 4.229 -29.409 -24.730 1.00 71.33 H new ATOM 0 HB2 SER A 74 4.292 -31.898 -24.957 1.00 71.51 H new ATOM 0 HB3 SER A 74 2.664 -31.253 -25.025 1.00 71.51 H new ATOM 0 HG SER A 74 3.062 -32.810 -26.698 1.00 2.40 H new ATOM 1116 N THR A 75 5.678 -29.997 -27.614 1.00 63.11 N ATOM 1117 CA THR A 75 6.967 -30.063 -28.292 1.00 33.50 C ATOM 1118 C THR A 75 7.895 -28.951 -27.818 1.00 62.31 C ATOM 1119 O THR A 75 7.471 -27.809 -27.644 1.00 65.31 O ATOM 1120 CB THR A 75 6.803 -29.964 -29.820 1.00 41.24 C ATOM 1121 OG1 THR A 75 5.812 -28.982 -30.144 1.00 72.40 O ATOM 1122 CG2 THR A 75 6.405 -31.308 -30.411 1.00 31.12 C ATOM 0 H THR A 75 4.872 -29.994 -28.239 1.00 63.11 H new ATOM 0 HA THR A 75 7.406 -31.029 -28.043 1.00 33.50 H new ATOM 0 HB THR A 75 7.761 -29.667 -30.247 1.00 41.24 H new ATOM 0 HG1 THR A 75 5.715 -28.924 -31.117 1.00 72.40 H new ATOM 0 HG21 THR A 75 6.295 -31.212 -31.491 1.00 31.12 H new ATOM 0 HG22 THR A 75 7.176 -32.046 -30.189 1.00 31.12 H new ATOM 0 HG23 THR A 75 5.458 -31.630 -29.977 1.00 31.12 H new ATOM 1130 N GLU A 76 9.163 -29.293 -27.612 1.00 3.02 N ATOM 1131 CA GLU A 76 10.151 -28.321 -27.158 1.00 24.30 C ATOM 1132 C GLU A 76 10.272 -27.166 -28.147 1.00 41.41 C ATOM 1133 O GLU A 76 9.609 -27.150 -29.183 1.00 63.03 O ATOM 1134 CB GLU A 76 11.513 -28.994 -26.974 1.00 4.22 C ATOM 1135 CG GLU A 76 11.449 -30.297 -26.195 1.00 15.33 C ATOM 1136 CD GLU A 76 12.784 -30.679 -25.586 1.00 35.51 C ATOM 1137 OE1 GLU A 76 13.566 -31.377 -26.265 1.00 3.32 O ATOM 1138 OE2 GLU A 76 13.045 -30.282 -24.431 1.00 64.54 O ATOM 0 H GLU A 76 9.530 -30.234 -27.752 1.00 3.02 H new ATOM 0 HA GLU A 76 9.818 -27.923 -26.200 1.00 24.30 H new ATOM 0 HB2 GLU A 76 11.948 -29.188 -27.954 1.00 4.22 H new ATOM 0 HB3 GLU A 76 12.182 -28.305 -26.459 1.00 4.22 H new ATOM 0 HG2 GLU A 76 10.705 -30.206 -25.403 1.00 15.33 H new ATOM 0 HG3 GLU A 76 11.114 -31.096 -26.857 1.00 15.33 H new ATOM 1145 N ASN A 77 11.123 -26.199 -27.818 1.00 21.21 N ATOM 1146 CA ASN A 77 11.330 -25.038 -28.676 1.00 11.04 C ATOM 1147 C ASN A 77 10.012 -24.318 -28.943 1.00 52.15 C ATOM 1148 O ASN A 77 9.769 -23.837 -30.050 1.00 70.44 O ATOM 1149 CB ASN A 77 11.970 -25.463 -29.999 1.00 10.22 C ATOM 1150 CG ASN A 77 13.389 -25.968 -29.819 1.00 53.40 C ATOM 1151 OD1 ASN A 77 14.348 -25.201 -29.904 1.00 52.53 O ATOM 1152 ND2 ASN A 77 13.528 -27.264 -29.569 1.00 32.40 N ATOM 0 H ASN A 77 11.680 -26.197 -26.964 1.00 21.21 H new ATOM 0 HA ASN A 77 12.001 -24.351 -28.161 1.00 11.04 H new ATOM 0 HB2 ASN A 77 11.365 -26.245 -30.458 1.00 10.22 H new ATOM 0 HB3 ASN A 77 11.973 -24.617 -30.686 1.00 10.22 H new ATOM 0 HD21 ASN A 77 14.458 -27.661 -29.439 1.00 32.40 H new ATOM 0 HD22 ASN A 77 12.704 -27.863 -29.507 1.00 32.40 H new ATOM 1159 N SER A 78 9.164 -24.247 -27.922 1.00 4.21 N ATOM 1160 CA SER A 78 7.869 -23.589 -28.047 1.00 43.45 C ATOM 1161 C SER A 78 7.900 -22.203 -27.411 1.00 4.53 C ATOM 1162 O SER A 78 8.426 -22.022 -26.312 1.00 33.41 O ATOM 1163 CB SER A 78 6.777 -24.438 -27.395 1.00 55.40 C ATOM 1164 OG SER A 78 7.274 -25.126 -26.261 1.00 4.44 O ATOM 0 H SER A 78 9.351 -24.637 -26.998 1.00 4.21 H new ATOM 0 HA SER A 78 7.647 -23.477 -29.108 1.00 43.45 H new ATOM 0 HB2 SER A 78 5.944 -23.800 -27.101 1.00 55.40 H new ATOM 0 HB3 SER A 78 6.389 -25.155 -28.118 1.00 55.40 H new ATOM 0 HG SER A 78 7.419 -26.068 -26.488 1.00 4.44 H new ATOM 1170 N LYS A 79 7.334 -21.225 -28.109 1.00 54.33 N ATOM 1171 CA LYS A 79 7.293 -19.854 -27.614 1.00 1.11 C ATOM 1172 C LYS A 79 6.024 -19.145 -28.076 1.00 70.45 C ATOM 1173 O LYS A 79 5.316 -19.633 -28.958 1.00 4.54 O ATOM 1174 CB LYS A 79 8.524 -19.081 -28.091 1.00 45.34 C ATOM 1175 CG LYS A 79 8.645 -19.002 -29.603 1.00 74.05 C ATOM 1176 CD LYS A 79 9.367 -20.213 -30.169 1.00 73.33 C ATOM 1177 CE LYS A 79 10.120 -19.868 -31.444 1.00 45.43 C ATOM 1178 NZ LYS A 79 9.196 -19.507 -32.555 1.00 21.32 N ATOM 0 H LYS A 79 6.896 -21.356 -29.021 1.00 54.33 H new ATOM 0 HA LYS A 79 7.292 -19.888 -26.525 1.00 1.11 H new ATOM 0 HB2 LYS A 79 8.488 -18.070 -27.685 1.00 45.34 H new ATOM 0 HB3 LYS A 79 9.419 -19.555 -27.688 1.00 45.34 H new ATOM 0 HG2 LYS A 79 7.651 -18.930 -30.045 1.00 74.05 H new ATOM 0 HG3 LYS A 79 9.183 -18.095 -29.879 1.00 74.05 H new ATOM 0 HD2 LYS A 79 10.065 -20.601 -29.427 1.00 73.33 H new ATOM 0 HD3 LYS A 79 8.646 -21.005 -30.374 1.00 73.33 H new ATOM 0 HE2 LYS A 79 10.798 -19.037 -31.251 1.00 45.43 H new ATOM 0 HE3 LYS A 79 10.734 -20.717 -31.744 1.00 45.43 H new ATOM 0 HZ1 LYS A 79 9.749 -19.279 -33.406 1.00 21.32 H new ATOM 0 HZ2 LYS A 79 8.565 -20.309 -32.757 1.00 21.32 H new ATOM 0 HZ3 LYS A 79 8.628 -18.681 -32.279 1.00 21.32 H new ATOM 1192 N MET A 80 5.743 -17.993 -27.477 1.00 42.12 N ATOM 1193 CA MET A 80 4.561 -17.216 -27.832 1.00 1.14 C ATOM 1194 C MET A 80 4.868 -15.722 -27.817 1.00 42.21 C ATOM 1195 O MET A 80 5.626 -15.243 -26.974 1.00 14.22 O ATOM 1196 CB MET A 80 3.415 -17.522 -26.866 1.00 32.21 C ATOM 1197 CG MET A 80 2.047 -17.133 -27.403 1.00 1.20 C ATOM 1198 SD MET A 80 0.699 -17.959 -26.536 1.00 64.31 S ATOM 1199 CE MET A 80 -0.712 -17.377 -27.472 1.00 75.41 C ATOM 0 H MET A 80 6.317 -17.577 -26.744 1.00 42.12 H new ATOM 0 HA MET A 80 4.261 -17.497 -28.842 1.00 1.14 H new ATOM 0 HB2 MET A 80 3.417 -18.588 -26.639 1.00 32.21 H new ATOM 0 HB3 MET A 80 3.591 -16.996 -25.928 1.00 32.21 H new ATOM 0 HG2 MET A 80 1.921 -16.054 -27.318 1.00 1.20 H new ATOM 0 HG3 MET A 80 1.995 -17.377 -28.464 1.00 1.20 H new ATOM 0 HE1 MET A 80 -1.631 -17.685 -26.974 1.00 75.41 H new ATOM 0 HE2 MET A 80 -0.682 -16.289 -27.538 1.00 75.41 H new ATOM 0 HE3 MET A 80 -0.683 -17.802 -28.475 1.00 75.41 H new ATOM 1209 N MET A 81 4.276 -14.991 -28.756 1.00 34.30 N ATOM 1210 CA MET A 81 4.487 -13.551 -28.850 1.00 74.40 C ATOM 1211 C MET A 81 3.402 -12.792 -28.092 1.00 23.32 C ATOM 1212 O MET A 81 2.290 -13.291 -27.913 1.00 25.42 O ATOM 1213 CB MET A 81 4.504 -13.112 -30.315 1.00 53.52 C ATOM 1214 CG MET A 81 5.060 -11.712 -30.523 1.00 72.21 C ATOM 1215 SD MET A 81 5.193 -11.270 -32.266 1.00 3.30 S ATOM 1216 CE MET A 81 3.904 -10.034 -32.401 1.00 74.23 C ATOM 0 H MET A 81 3.647 -15.372 -29.462 1.00 34.30 H new ATOM 0 HA MET A 81 5.451 -13.319 -28.397 1.00 74.40 H new ATOM 0 HB2 MET A 81 5.100 -13.820 -30.891 1.00 53.52 H new ATOM 0 HB3 MET A 81 3.489 -13.154 -30.710 1.00 53.52 H new ATOM 0 HG2 MET A 81 4.418 -10.991 -30.017 1.00 72.21 H new ATOM 0 HG3 MET A 81 6.044 -11.643 -30.059 1.00 72.21 H new ATOM 0 HE1 MET A 81 4.155 -9.332 -33.197 1.00 74.23 H new ATOM 0 HE2 MET A 81 2.956 -10.520 -32.631 1.00 74.23 H new ATOM 0 HE3 MET A 81 3.816 -9.496 -31.457 1.00 74.23 H new ATOM 1226 N LEU A 82 3.732 -11.585 -27.648 1.00 3.50 N ATOM 1227 CA LEU A 82 2.786 -10.756 -26.908 1.00 61.34 C ATOM 1228 C LEU A 82 2.870 -9.301 -27.357 1.00 0.21 C ATOM 1229 O LEU A 82 3.810 -8.908 -28.047 1.00 11.20 O ATOM 1230 CB LEU A 82 3.057 -10.855 -25.406 1.00 61.41 C ATOM 1231 CG LEU A 82 2.589 -12.141 -24.723 1.00 41.11 C ATOM 1232 CD1 LEU A 82 3.693 -13.187 -24.740 1.00 50.25 C ATOM 1233 CD2 LEU A 82 2.145 -11.855 -23.296 1.00 20.21 C ATOM 0 H LEU A 82 4.648 -11.158 -27.787 1.00 3.50 H new ATOM 0 HA LEU A 82 1.781 -11.123 -27.114 1.00 61.34 H new ATOM 0 HB2 LEU A 82 4.130 -10.750 -25.243 1.00 61.41 H new ATOM 0 HB3 LEU A 82 2.576 -10.010 -24.914 1.00 61.41 H new ATOM 0 HG LEU A 82 1.736 -12.534 -25.276 1.00 41.11 H new ATOM 0 HD11 LEU A 82 3.342 -14.095 -24.250 1.00 50.25 H new ATOM 0 HD12 LEU A 82 3.964 -13.413 -25.771 1.00 50.25 H new ATOM 0 HD13 LEU A 82 4.566 -12.804 -24.211 1.00 50.25 H new ATOM 0 HD21 LEU A 82 1.815 -12.781 -22.825 1.00 20.21 H new ATOM 0 HD22 LEU A 82 2.979 -11.438 -22.732 1.00 20.21 H new ATOM 0 HD23 LEU A 82 1.322 -11.141 -23.307 1.00 20.21 H new ATOM 1245 N GLU A 83 1.882 -8.506 -26.958 1.00 31.00 N ATOM 1246 CA GLU A 83 1.846 -7.094 -27.319 1.00 14.43 C ATOM 1247 C GLU A 83 1.897 -6.213 -26.074 1.00 5.43 C ATOM 1248 O GLU A 83 1.186 -6.455 -25.098 1.00 11.42 O ATOM 1249 CB GLU A 83 0.583 -6.783 -28.125 1.00 13.44 C ATOM 1250 CG GLU A 83 0.688 -7.163 -29.592 1.00 32.32 C ATOM 1251 CD GLU A 83 -0.667 -7.293 -30.259 1.00 75.04 C ATOM 1252 OE1 GLU A 83 -1.660 -7.541 -29.543 1.00 1.33 O ATOM 1253 OE2 GLU A 83 -0.736 -7.147 -31.498 1.00 20.34 O ATOM 0 H GLU A 83 1.097 -8.816 -26.385 1.00 31.00 H new ATOM 0 HA GLU A 83 2.722 -6.879 -27.932 1.00 14.43 H new ATOM 0 HB2 GLU A 83 -0.260 -7.312 -27.681 1.00 13.44 H new ATOM 0 HB3 GLU A 83 0.367 -5.717 -28.049 1.00 13.44 H new ATOM 0 HG2 GLU A 83 1.277 -6.411 -30.117 1.00 32.32 H new ATOM 0 HG3 GLU A 83 1.225 -8.107 -29.681 1.00 32.32 H new ATOM 1260 N LEU A 84 2.745 -5.190 -26.115 1.00 33.32 N ATOM 1261 CA LEU A 84 2.891 -4.272 -24.990 1.00 63.54 C ATOM 1262 C LEU A 84 3.004 -2.831 -25.475 1.00 51.34 C ATOM 1263 O LEU A 84 3.603 -2.561 -26.516 1.00 42.54 O ATOM 1264 CB LEU A 84 4.123 -4.642 -24.162 1.00 44.24 C ATOM 1265 CG LEU A 84 4.393 -6.137 -23.990 1.00 70.04 C ATOM 1266 CD1 LEU A 84 5.770 -6.365 -23.387 1.00 21.20 C ATOM 1267 CD2 LEU A 84 3.317 -6.777 -23.125 1.00 51.13 C ATOM 0 H LEU A 84 3.341 -4.976 -26.914 1.00 33.32 H new ATOM 0 HA LEU A 84 2.002 -4.357 -24.365 1.00 63.54 H new ATOM 0 HB2 LEU A 84 4.998 -4.186 -24.626 1.00 44.24 H new ATOM 0 HB3 LEU A 84 4.018 -4.196 -23.173 1.00 44.24 H new ATOM 0 HG LEU A 84 4.368 -6.607 -24.973 1.00 70.04 H new ATOM 0 HD11 LEU A 84 5.944 -7.435 -23.272 1.00 21.20 H new ATOM 0 HD12 LEU A 84 6.530 -5.942 -24.044 1.00 21.20 H new ATOM 0 HD13 LEU A 84 5.825 -5.882 -22.412 1.00 21.20 H new ATOM 0 HD21 LEU A 84 3.525 -7.841 -23.013 1.00 51.13 H new ATOM 0 HD22 LEU A 84 3.310 -6.304 -22.143 1.00 51.13 H new ATOM 0 HD23 LEU A 84 2.344 -6.645 -23.598 1.00 51.13 H new ATOM 1279 N ASP A 85 2.426 -1.909 -24.713 1.00 51.14 N ATOM 1280 CA ASP A 85 2.464 -0.494 -25.064 1.00 11.25 C ATOM 1281 C ASP A 85 2.637 0.370 -23.818 1.00 32.21 C ATOM 1282 O ASP A 85 1.731 1.093 -23.403 1.00 74.41 O ATOM 1283 CB ASP A 85 1.186 -0.095 -25.802 1.00 54.35 C ATOM 1284 CG ASP A 85 1.364 1.162 -26.631 1.00 2.53 C ATOM 1285 OD1 ASP A 85 2.463 1.755 -26.581 1.00 54.11 O ATOM 1286 OD2 ASP A 85 0.406 1.553 -27.329 1.00 52.31 O ATOM 0 H ASP A 85 1.926 -2.116 -23.849 1.00 51.14 H new ATOM 0 HA ASP A 85 3.319 -0.331 -25.720 1.00 11.25 H new ATOM 0 HB2 ASP A 85 0.874 -0.913 -26.451 1.00 54.35 H new ATOM 0 HB3 ASP A 85 0.386 0.061 -25.078 1.00 54.35 H new ATOM 1291 N PRO A 86 3.828 0.294 -23.205 1.00 74.43 N ATOM 1292 CA PRO A 86 4.147 1.061 -21.998 1.00 21.02 C ATOM 1293 C PRO A 86 4.277 2.554 -22.277 1.00 55.43 C ATOM 1294 O PRO A 86 4.342 2.992 -23.426 1.00 52.03 O ATOM 1295 CB PRO A 86 5.493 0.481 -21.555 1.00 12.31 C ATOM 1296 CG PRO A 86 6.101 -0.061 -22.802 1.00 52.43 C ATOM 1297 CD PRO A 86 4.954 -0.547 -23.645 1.00 30.05 C ATOM 0 HA PRO A 86 3.363 0.980 -21.245 1.00 21.02 H new ATOM 0 HB2 PRO A 86 6.126 1.247 -21.107 1.00 12.31 H new ATOM 0 HB3 PRO A 86 5.360 -0.301 -20.807 1.00 12.31 H new ATOM 0 HG2 PRO A 86 6.671 0.708 -23.324 1.00 52.43 H new ATOM 0 HG3 PRO A 86 6.792 -0.873 -22.578 1.00 52.43 H new ATOM 0 HD2 PRO A 86 5.156 -0.423 -24.709 1.00 30.05 H new ATOM 0 HD3 PRO A 86 4.754 -1.606 -23.480 1.00 30.05 H new ATOM 1305 N PRO A 87 4.315 3.357 -21.203 1.00 41.14 N ATOM 1306 CA PRO A 87 4.438 4.814 -21.308 1.00 53.12 C ATOM 1307 C PRO A 87 5.814 5.246 -21.802 1.00 41.04 C ATOM 1308 O PRO A 87 6.642 4.413 -22.172 1.00 74.32 O ATOM 1309 CB PRO A 87 4.210 5.293 -19.872 1.00 45.33 C ATOM 1310 CG PRO A 87 4.602 4.136 -19.020 1.00 61.22 C ATOM 1311 CD PRO A 87 4.243 2.904 -19.804 1.00 54.12 C ATOM 0 HA PRO A 87 3.734 5.232 -22.028 1.00 53.12 H new ATOM 0 HB2 PRO A 87 4.814 6.172 -19.647 1.00 45.33 H new ATOM 0 HB3 PRO A 87 3.169 5.571 -19.708 1.00 45.33 H new ATOM 0 HG2 PRO A 87 5.669 4.159 -18.797 1.00 61.22 H new ATOM 0 HG3 PRO A 87 4.076 4.158 -18.066 1.00 61.22 H new ATOM 0 HD2 PRO A 87 4.938 2.087 -19.610 1.00 54.12 H new ATOM 0 HD3 PRO A 87 3.247 2.542 -19.550 1.00 54.12 H new ATOM 1319 N PHE A 88 6.053 6.553 -21.806 1.00 0.21 N ATOM 1320 CA PHE A 88 7.329 7.096 -22.256 1.00 64.15 C ATOM 1321 C PHE A 88 8.405 6.913 -21.190 1.00 22.40 C ATOM 1322 O PHE A 88 8.112 6.880 -19.996 1.00 33.43 O ATOM 1323 CB PHE A 88 7.184 8.580 -22.600 1.00 71.35 C ATOM 1324 CG PHE A 88 6.987 9.457 -21.398 1.00 2.44 C ATOM 1325 CD1 PHE A 88 5.720 9.669 -20.878 1.00 5.41 C ATOM 1326 CD2 PHE A 88 8.069 10.071 -20.787 1.00 21.00 C ATOM 1327 CE1 PHE A 88 5.536 10.476 -19.771 1.00 10.31 C ATOM 1328 CE2 PHE A 88 7.891 10.878 -19.680 1.00 12.44 C ATOM 1329 CZ PHE A 88 6.623 11.082 -19.172 1.00 13.44 C ATOM 0 H PHE A 88 5.379 7.256 -21.502 1.00 0.21 H new ATOM 0 HA PHE A 88 7.631 6.551 -23.150 1.00 64.15 H new ATOM 0 HB2 PHE A 88 8.073 8.909 -23.138 1.00 71.35 H new ATOM 0 HB3 PHE A 88 6.338 8.707 -23.275 1.00 71.35 H new ATOM 0 HD1 PHE A 88 4.867 9.198 -21.343 1.00 5.41 H new ATOM 0 HD2 PHE A 88 9.063 9.917 -21.181 1.00 21.00 H new ATOM 0 HE1 PHE A 88 4.544 10.632 -19.375 1.00 10.31 H new ATOM 0 HE2 PHE A 88 8.743 11.349 -19.212 1.00 12.44 H new ATOM 0 HZ PHE A 88 6.482 11.714 -18.308 1.00 13.44 H new ATOM 1339 N GLY A 89 9.654 6.793 -21.632 1.00 13.14 N ATOM 1340 CA GLY A 89 10.755 6.614 -20.703 1.00 72.34 C ATOM 1341 C GLY A 89 11.324 5.209 -20.743 1.00 54.21 C ATOM 1342 O GLY A 89 10.644 4.269 -21.155 1.00 24.41 O ATOM 0 H GLY A 89 9.922 6.817 -22.616 1.00 13.14 H new ATOM 0 HA2 GLY A 89 11.544 7.329 -20.937 1.00 72.34 H new ATOM 0 HA3 GLY A 89 10.413 6.836 -19.692 1.00 72.34 H new ATOM 1346 N ASP A 90 12.573 5.067 -20.316 1.00 23.51 N ATOM 1347 CA ASP A 90 13.234 3.766 -20.305 1.00 51.50 C ATOM 1348 C ASP A 90 12.712 2.901 -19.162 1.00 53.14 C ATOM 1349 O ASP A 90 12.420 3.400 -18.076 1.00 2.34 O ATOM 1350 CB ASP A 90 14.748 3.941 -20.178 1.00 41.12 C ATOM 1351 CG ASP A 90 15.444 2.666 -19.744 1.00 74.35 C ATOM 1352 OD1 ASP A 90 15.944 1.934 -20.624 1.00 65.02 O ATOM 1353 OD2 ASP A 90 15.488 2.400 -18.525 1.00 71.34 O ATOM 0 H ASP A 90 13.149 5.836 -19.973 1.00 23.51 H new ATOM 0 HA ASP A 90 13.011 3.265 -21.247 1.00 51.50 H new ATOM 0 HB2 ASP A 90 15.155 4.266 -21.136 1.00 41.12 H new ATOM 0 HB3 ASP A 90 14.960 4.731 -19.457 1.00 41.12 H new ATOM 1358 N SER A 91 12.595 1.602 -19.417 1.00 21.45 N ATOM 1359 CA SER A 91 12.103 0.667 -18.411 1.00 1.20 C ATOM 1360 C SER A 91 12.867 -0.652 -18.475 1.00 4.43 C ATOM 1361 O SER A 91 13.797 -0.806 -19.267 1.00 42.41 O ATOM 1362 CB SER A 91 10.608 0.413 -18.609 1.00 15.12 C ATOM 1363 OG SER A 91 9.975 0.107 -17.378 1.00 61.52 O ATOM 0 H SER A 91 12.834 1.173 -20.311 1.00 21.45 H new ATOM 0 HA SER A 91 12.262 1.112 -17.429 1.00 1.20 H new ATOM 0 HB2 SER A 91 10.142 1.293 -19.052 1.00 15.12 H new ATOM 0 HB3 SER A 91 10.465 -0.410 -19.309 1.00 15.12 H new ATOM 0 HG SER A 91 9.020 -0.049 -17.531 1.00 61.52 H new ATOM 1369 N TYR A 92 12.469 -1.600 -17.635 1.00 34.23 N ATOM 1370 CA TYR A 92 13.116 -2.906 -17.593 1.00 43.11 C ATOM 1371 C TYR A 92 12.090 -4.027 -17.725 1.00 64.33 C ATOM 1372 O TYR A 92 11.329 -4.300 -16.796 1.00 43.15 O ATOM 1373 CB TYR A 92 13.901 -3.068 -16.290 1.00 34.11 C ATOM 1374 CG TYR A 92 15.236 -2.359 -16.294 1.00 52.45 C ATOM 1375 CD1 TYR A 92 15.410 -1.160 -15.613 1.00 71.20 C ATOM 1376 CD2 TYR A 92 16.323 -2.886 -16.981 1.00 13.33 C ATOM 1377 CE1 TYR A 92 16.628 -0.508 -15.615 1.00 13.11 C ATOM 1378 CE2 TYR A 92 17.544 -2.241 -16.987 1.00 25.22 C ATOM 1379 CZ TYR A 92 17.692 -1.053 -16.303 1.00 10.43 C ATOM 1380 OH TYR A 92 18.907 -0.407 -16.308 1.00 1.35 O ATOM 0 H TYR A 92 11.701 -1.489 -16.973 1.00 34.23 H new ATOM 0 HA TYR A 92 13.806 -2.969 -18.435 1.00 43.11 H new ATOM 0 HB2 TYR A 92 13.300 -2.688 -15.464 1.00 34.11 H new ATOM 0 HB3 TYR A 92 14.064 -4.130 -16.103 1.00 34.11 H new ATOM 0 HD1 TYR A 92 14.579 -0.731 -15.073 1.00 71.20 H new ATOM 0 HD2 TYR A 92 16.211 -3.816 -17.519 1.00 13.33 H new ATOM 0 HE1 TYR A 92 16.746 0.423 -15.081 1.00 13.11 H new ATOM 0 HE2 TYR A 92 18.379 -2.665 -17.525 1.00 25.22 H new ATOM 0 HH TYR A 92 19.602 -1.021 -16.625 1.00 1.35 H new ATOM 1390 N ILE A 93 12.077 -4.674 -18.886 1.00 21.22 N ATOM 1391 CA ILE A 93 11.147 -5.767 -19.140 1.00 22.52 C ATOM 1392 C ILE A 93 11.520 -7.006 -18.332 1.00 3.55 C ATOM 1393 O ILE A 93 12.698 -7.336 -18.189 1.00 13.40 O ATOM 1394 CB ILE A 93 11.107 -6.137 -20.634 1.00 42.25 C ATOM 1395 CG1 ILE A 93 10.732 -4.914 -21.474 1.00 61.25 C ATOM 1396 CG2 ILE A 93 10.123 -7.272 -20.873 1.00 64.53 C ATOM 1397 CD1 ILE A 93 10.994 -5.094 -22.953 1.00 53.15 C ATOM 0 H ILE A 93 12.700 -4.460 -19.665 1.00 21.22 H new ATOM 0 HA ILE A 93 10.161 -5.419 -18.833 1.00 22.52 H new ATOM 0 HB ILE A 93 12.099 -6.473 -20.937 1.00 42.25 H new ATOM 0 HG12 ILE A 93 9.676 -4.691 -21.325 1.00 61.25 H new ATOM 0 HG13 ILE A 93 11.294 -4.051 -21.116 1.00 61.25 H new ATOM 0 HG21 ILE A 93 10.106 -7.522 -21.934 1.00 64.53 H new ATOM 0 HG22 ILE A 93 10.430 -8.146 -20.299 1.00 64.53 H new ATOM 0 HG23 ILE A 93 9.127 -6.962 -20.558 1.00 64.53 H new ATOM 0 HD11 ILE A 93 10.705 -4.189 -23.487 1.00 53.15 H new ATOM 0 HD12 ILE A 93 12.055 -5.287 -23.114 1.00 53.15 H new ATOM 0 HD13 ILE A 93 10.411 -5.936 -23.326 1.00 53.15 H new ATOM 1409 N VAL A 94 10.509 -7.689 -17.805 1.00 51.11 N ATOM 1410 CA VAL A 94 10.730 -8.893 -17.013 1.00 72.13 C ATOM 1411 C VAL A 94 9.618 -9.911 -17.239 1.00 73.13 C ATOM 1412 O VAL A 94 8.461 -9.545 -17.451 1.00 63.14 O ATOM 1413 CB VAL A 94 10.816 -8.568 -15.510 1.00 70.42 C ATOM 1414 CG1 VAL A 94 11.226 -9.802 -14.720 1.00 13.21 C ATOM 1415 CG2 VAL A 94 11.787 -7.423 -15.268 1.00 1.13 C ATOM 0 H VAL A 94 9.529 -7.429 -17.912 1.00 51.11 H new ATOM 0 HA VAL A 94 11.679 -9.317 -17.340 1.00 72.13 H new ATOM 0 HB VAL A 94 9.830 -8.257 -15.166 1.00 70.42 H new ATOM 0 HG11 VAL A 94 11.282 -9.554 -13.660 1.00 13.21 H new ATOM 0 HG12 VAL A 94 10.489 -10.591 -14.870 1.00 13.21 H new ATOM 0 HG13 VAL A 94 12.201 -10.147 -15.064 1.00 13.21 H new ATOM 0 HG21 VAL A 94 11.836 -7.206 -14.201 1.00 1.13 H new ATOM 0 HG22 VAL A 94 12.777 -7.704 -15.627 1.00 1.13 H new ATOM 0 HG23 VAL A 94 11.445 -6.537 -15.803 1.00 1.13 H new ATOM 1425 N ILE A 95 9.975 -11.190 -17.192 1.00 3.10 N ATOM 1426 CA ILE A 95 9.007 -12.261 -17.390 1.00 70.23 C ATOM 1427 C ILE A 95 8.974 -13.201 -16.190 1.00 73.21 C ATOM 1428 O ILE A 95 9.977 -13.826 -15.850 1.00 21.51 O ATOM 1429 CB ILE A 95 9.322 -13.077 -18.658 1.00 55.34 C ATOM 1430 CG1 ILE A 95 9.329 -12.166 -19.888 1.00 31.20 C ATOM 1431 CG2 ILE A 95 8.310 -14.200 -18.830 1.00 52.13 C ATOM 1432 CD1 ILE A 95 7.985 -11.539 -20.183 1.00 55.32 C ATOM 0 H ILE A 95 10.928 -11.510 -17.018 1.00 3.10 H new ATOM 0 HA ILE A 95 8.032 -11.788 -17.505 1.00 70.23 H new ATOM 0 HB ILE A 95 10.312 -13.520 -18.551 1.00 55.34 H new ATOM 0 HG12 ILE A 95 10.065 -11.376 -19.741 1.00 31.20 H new ATOM 0 HG13 ILE A 95 9.650 -12.743 -20.755 1.00 31.20 H new ATOM 0 HG21 ILE A 95 8.546 -14.768 -19.730 1.00 52.13 H new ATOM 0 HG22 ILE A 95 8.349 -14.861 -17.964 1.00 52.13 H new ATOM 0 HG23 ILE A 95 7.309 -13.777 -18.919 1.00 52.13 H new ATOM 0 HD11 ILE A 95 8.065 -10.907 -21.067 1.00 55.32 H new ATOM 0 HD12 ILE A 95 7.249 -12.323 -20.363 1.00 55.32 H new ATOM 0 HD13 ILE A 95 7.671 -10.935 -19.332 1.00 55.32 H new ATOM 1444 N GLY A 96 7.811 -13.297 -15.552 1.00 72.45 N ATOM 1445 CA GLY A 96 7.668 -14.164 -14.397 1.00 52.30 C ATOM 1446 C GLY A 96 8.626 -13.803 -13.280 1.00 1.45 C ATOM 1447 O GLY A 96 9.207 -12.717 -13.276 1.00 54.10 O ATOM 0 H GLY A 96 6.966 -12.790 -15.815 1.00 72.45 H new ATOM 0 HA2 GLY A 96 6.644 -14.105 -14.027 1.00 52.30 H new ATOM 0 HA3 GLY A 96 7.839 -15.197 -14.699 1.00 52.30 H new ATOM 1451 N VAL A 97 8.792 -14.714 -12.326 1.00 71.24 N ATOM 1452 CA VAL A 97 9.686 -14.486 -11.198 1.00 21.24 C ATOM 1453 C VAL A 97 10.495 -15.738 -10.875 1.00 52.25 C ATOM 1454 O VAL A 97 10.021 -16.859 -11.053 1.00 55.14 O ATOM 1455 CB VAL A 97 8.906 -14.055 -9.942 1.00 33.24 C ATOM 1456 CG1 VAL A 97 8.106 -12.791 -10.217 1.00 74.24 C ATOM 1457 CG2 VAL A 97 7.996 -15.179 -9.468 1.00 62.02 C ATOM 0 H VAL A 97 8.318 -15.617 -12.312 1.00 71.24 H new ATOM 0 HA VAL A 97 10.364 -13.684 -11.489 1.00 21.24 H new ATOM 0 HB VAL A 97 9.621 -13.838 -9.149 1.00 33.24 H new ATOM 0 HG11 VAL A 97 7.562 -12.502 -9.318 1.00 74.24 H new ATOM 0 HG12 VAL A 97 8.783 -11.987 -10.505 1.00 74.24 H new ATOM 0 HG13 VAL A 97 7.399 -12.977 -11.025 1.00 74.24 H new ATOM 0 HG21 VAL A 97 7.453 -14.857 -8.580 1.00 62.02 H new ATOM 0 HG22 VAL A 97 7.286 -15.430 -10.257 1.00 62.02 H new ATOM 0 HG23 VAL A 97 8.596 -16.056 -9.228 1.00 62.02 H new ATOM 1467 N GLY A 98 11.720 -15.538 -10.399 1.00 41.03 N ATOM 1468 CA GLY A 98 12.576 -16.660 -10.059 1.00 51.44 C ATOM 1469 C GLY A 98 14.024 -16.250 -9.879 1.00 1.04 C ATOM 1470 O GLY A 98 14.333 -15.062 -9.789 1.00 34.20 O ATOM 0 H GLY A 98 12.135 -14.619 -10.243 1.00 41.03 H new ATOM 0 HA2 GLY A 98 12.216 -17.123 -9.140 1.00 51.44 H new ATOM 0 HA3 GLY A 98 12.510 -17.414 -10.843 1.00 51.44 H new ATOM 1474 N GLU A 99 14.914 -17.236 -9.823 1.00 70.01 N ATOM 1475 CA GLU A 99 16.337 -16.971 -9.648 1.00 41.22 C ATOM 1476 C GLU A 99 16.997 -16.638 -10.983 1.00 73.14 C ATOM 1477 O GLU A 99 17.897 -15.801 -11.053 1.00 55.32 O ATOM 1478 CB GLU A 99 17.029 -18.178 -9.012 1.00 1.02 C ATOM 1479 CG GLU A 99 18.521 -17.983 -8.801 1.00 63.25 C ATOM 1480 CD GLU A 99 18.832 -16.861 -7.830 1.00 50.24 C ATOM 1481 OE1 GLU A 99 18.612 -15.686 -8.193 1.00 11.14 O ATOM 1482 OE2 GLU A 99 19.295 -17.157 -6.709 1.00 40.32 O ATOM 0 H GLU A 99 14.675 -18.225 -9.896 1.00 70.01 H new ATOM 0 HA GLU A 99 16.441 -16.111 -8.986 1.00 41.22 H new ATOM 0 HB2 GLU A 99 16.560 -18.391 -8.052 1.00 1.02 H new ATOM 0 HB3 GLU A 99 16.871 -19.052 -9.644 1.00 1.02 H new ATOM 0 HG2 GLU A 99 18.956 -18.911 -8.429 1.00 63.25 H new ATOM 0 HG3 GLU A 99 18.995 -17.771 -9.759 1.00 63.25 H new ATOM 1489 N LYS A 100 16.543 -17.301 -12.042 1.00 51.40 N ATOM 1490 CA LYS A 100 17.088 -17.078 -13.376 1.00 31.00 C ATOM 1491 C LYS A 100 16.238 -16.076 -14.151 1.00 33.41 C ATOM 1492 O LYS A 100 16.089 -16.183 -15.368 1.00 60.14 O ATOM 1493 CB LYS A 100 17.166 -18.399 -14.144 1.00 71.15 C ATOM 1494 CG LYS A 100 18.270 -18.432 -15.188 1.00 15.25 C ATOM 1495 CD LYS A 100 19.627 -18.689 -14.555 1.00 70.22 C ATOM 1496 CE LYS A 100 20.712 -18.849 -15.609 1.00 53.14 C ATOM 1497 NZ LYS A 100 20.933 -17.590 -16.373 1.00 13.30 N ATOM 0 H LYS A 100 15.799 -17.997 -12.002 1.00 51.40 H new ATOM 0 HA LYS A 100 18.092 -16.668 -13.267 1.00 31.00 H new ATOM 0 HB2 LYS A 100 17.323 -19.213 -13.436 1.00 71.15 H new ATOM 0 HB3 LYS A 100 16.209 -18.582 -14.633 1.00 71.15 H new ATOM 0 HG2 LYS A 100 18.056 -19.210 -15.921 1.00 15.25 H new ATOM 0 HG3 LYS A 100 18.292 -17.484 -15.726 1.00 15.25 H new ATOM 0 HD2 LYS A 100 19.882 -17.863 -13.891 1.00 70.22 H new ATOM 0 HD3 LYS A 100 19.579 -19.588 -13.941 1.00 70.22 H new ATOM 0 HE2 LYS A 100 21.643 -19.151 -15.129 1.00 53.14 H new ATOM 0 HE3 LYS A 100 20.435 -19.648 -16.297 1.00 53.14 H new ATOM 0 HZ1 LYS A 100 21.746 -17.709 -17.010 1.00 13.30 H new ATOM 0 HZ2 LYS A 100 20.084 -17.370 -16.932 1.00 13.30 H new ATOM 0 HZ3 LYS A 100 21.123 -16.811 -15.711 1.00 13.30 H new ATOM 1511 N LYS A 101 15.682 -15.102 -13.438 1.00 63.30 N ATOM 1512 CA LYS A 101 14.850 -14.078 -14.059 1.00 20.45 C ATOM 1513 C LYS A 101 15.569 -13.436 -15.240 1.00 52.44 C ATOM 1514 O LYS A 101 16.790 -13.280 -15.226 1.00 23.40 O ATOM 1515 CB LYS A 101 14.474 -13.007 -13.033 1.00 11.14 C ATOM 1516 CG LYS A 101 13.220 -13.336 -12.242 1.00 14.23 C ATOM 1517 CD LYS A 101 12.944 -12.291 -11.174 1.00 14.41 C ATOM 1518 CE LYS A 101 12.437 -10.992 -11.783 1.00 3.02 C ATOM 1519 NZ LYS A 101 10.951 -10.961 -11.866 1.00 12.12 N ATOM 0 H LYS A 101 15.793 -15.000 -12.429 1.00 63.30 H new ATOM 0 HA LYS A 101 13.942 -14.556 -14.426 1.00 20.45 H new ATOM 0 HB2 LYS A 101 15.305 -12.871 -12.341 1.00 11.14 H new ATOM 0 HB3 LYS A 101 14.330 -12.057 -13.548 1.00 11.14 H new ATOM 0 HG2 LYS A 101 12.368 -13.400 -12.919 1.00 14.23 H new ATOM 0 HG3 LYS A 101 13.330 -14.315 -11.775 1.00 14.23 H new ATOM 0 HD2 LYS A 101 12.207 -12.676 -10.469 1.00 14.41 H new ATOM 0 HD3 LYS A 101 13.856 -12.098 -10.608 1.00 14.41 H new ATOM 0 HE2 LYS A 101 12.785 -10.150 -11.184 1.00 3.02 H new ATOM 0 HE3 LYS A 101 12.859 -10.870 -12.781 1.00 3.02 H new ATOM 0 HZ1 LYS A 101 10.627 -9.974 -11.923 1.00 12.12 H new ATOM 0 HZ2 LYS A 101 10.640 -11.477 -12.714 1.00 12.12 H new ATOM 0 HZ3 LYS A 101 10.547 -11.410 -11.020 1.00 12.12 H new ATOM 1533 N ILE A 102 14.804 -13.063 -16.261 1.00 14.44 N ATOM 1534 CA ILE A 102 15.368 -12.434 -17.448 1.00 40.13 C ATOM 1535 C ILE A 102 15.028 -10.948 -17.498 1.00 60.20 C ATOM 1536 O ILE A 102 13.939 -10.535 -17.098 1.00 41.21 O ATOM 1537 CB ILE A 102 14.862 -13.108 -18.737 1.00 34.30 C ATOM 1538 CG1 ILE A 102 13.361 -12.863 -18.911 1.00 63.30 C ATOM 1539 CG2 ILE A 102 15.160 -14.600 -18.707 1.00 2.23 C ATOM 1540 CD1 ILE A 102 12.790 -13.483 -20.167 1.00 35.12 C ATOM 0 H ILE A 102 13.792 -13.186 -16.289 1.00 14.44 H new ATOM 0 HA ILE A 102 16.449 -12.555 -17.385 1.00 40.13 H new ATOM 0 HB ILE A 102 15.384 -12.670 -19.588 1.00 34.30 H new ATOM 0 HG12 ILE A 102 12.833 -13.263 -18.045 1.00 63.30 H new ATOM 0 HG13 ILE A 102 13.176 -11.789 -18.929 1.00 63.30 H new ATOM 0 HG21 ILE A 102 14.796 -15.062 -19.625 1.00 2.23 H new ATOM 0 HG22 ILE A 102 16.236 -14.755 -18.624 1.00 2.23 H new ATOM 0 HG23 ILE A 102 14.662 -15.053 -17.850 1.00 2.23 H new ATOM 0 HD11 ILE A 102 11.723 -13.270 -20.225 1.00 35.12 H new ATOM 0 HD12 ILE A 102 13.292 -13.065 -21.040 1.00 35.12 H new ATOM 0 HD13 ILE A 102 12.943 -14.562 -20.142 1.00 35.12 H new ATOM 1552 N THR A 103 15.967 -10.148 -17.994 1.00 11.13 N ATOM 1553 CA THR A 103 15.767 -8.708 -18.099 1.00 33.24 C ATOM 1554 C THR A 103 16.389 -8.158 -19.377 1.00 31.21 C ATOM 1555 O THR A 103 17.284 -8.773 -19.958 1.00 74.13 O ATOM 1556 CB THR A 103 16.368 -7.968 -16.889 1.00 13.22 C ATOM 1557 OG1 THR A 103 17.585 -8.602 -16.481 1.00 70.44 O ATOM 1558 CG2 THR A 103 15.387 -7.946 -15.726 1.00 22.31 C ATOM 0 H THR A 103 16.874 -10.473 -18.329 1.00 11.13 H new ATOM 0 HA THR A 103 14.690 -8.539 -18.121 1.00 33.24 H new ATOM 0 HB THR A 103 16.577 -6.941 -17.187 1.00 13.22 H new ATOM 0 HG1 THR A 103 17.961 -8.124 -15.712 1.00 70.44 H new ATOM 0 HG21 THR A 103 15.834 -7.418 -14.883 1.00 22.31 H new ATOM 0 HG22 THR A 103 14.473 -7.436 -16.030 1.00 22.31 H new ATOM 0 HG23 THR A 103 15.151 -8.968 -15.430 1.00 22.31 H new ATOM 1566 N HIS A 104 15.911 -6.996 -19.810 1.00 13.01 N ATOM 1567 CA HIS A 104 16.423 -6.362 -21.019 1.00 54.45 C ATOM 1568 C HIS A 104 16.334 -4.842 -20.915 1.00 62.00 C ATOM 1569 O HIS A 104 15.334 -4.299 -20.444 1.00 42.01 O ATOM 1570 CB HIS A 104 15.645 -6.846 -22.243 1.00 71.53 C ATOM 1571 CG HIS A 104 16.051 -6.172 -23.517 1.00 42.42 C ATOM 1572 ND1 HIS A 104 15.498 -5.132 -24.184 1.00 0.03 N flip ATOM 1573 CD2 HIS A 104 17.150 -6.557 -24.256 1.00 15.22 C flip ATOM 1574 CE1 HIS A 104 16.265 -4.909 -25.301 1.00 33.34 C flip ATOM 1575 NE2 HIS A 104 17.256 -5.782 -25.321 1.00 33.42 N flip ATOM 0 H HIS A 104 15.170 -6.474 -19.342 1.00 13.01 H new ATOM 0 HA HIS A 104 17.471 -6.641 -21.129 1.00 54.45 H new ATOM 0 HB2 HIS A 104 15.785 -7.922 -22.350 1.00 71.53 H new ATOM 0 HB3 HIS A 104 14.581 -6.678 -22.076 1.00 71.53 H new ATOM 0 HD2 HIS A 104 17.820 -7.366 -24.004 1.00 15.22 H new ATOM 0 HE1 HIS A 104 16.087 -4.144 -26.042 1.00 33.34 H new ATOM 0 HE2 HIS A 104 17.980 -5.847 -26.037 1.00 33.42 H new ATOM 1583 N HIS A 105 17.387 -4.161 -21.357 1.00 11.05 N ATOM 1584 CA HIS A 105 17.428 -2.704 -21.311 1.00 45.33 C ATOM 1585 C HIS A 105 16.564 -2.101 -22.415 1.00 21.12 C ATOM 1586 O HIS A 105 16.960 -2.073 -23.580 1.00 54.32 O ATOM 1587 CB HIS A 105 18.869 -2.209 -21.448 1.00 53.01 C ATOM 1588 CG HIS A 105 19.748 -2.599 -20.300 1.00 34.12 C ATOM 1589 ND1 HIS A 105 20.257 -3.871 -20.140 1.00 11.51 N ATOM 1590 CD2 HIS A 105 20.209 -1.876 -19.252 1.00 74.33 C ATOM 1591 CE1 HIS A 105 20.992 -3.913 -19.043 1.00 34.41 C ATOM 1592 NE2 HIS A 105 20.979 -2.716 -18.486 1.00 0.21 N ATOM 0 H HIS A 105 18.222 -4.595 -21.751 1.00 11.05 H new ATOM 0 HA HIS A 105 17.031 -2.384 -20.347 1.00 45.33 H new ATOM 0 HB2 HIS A 105 19.294 -2.604 -22.371 1.00 53.01 H new ATOM 0 HB3 HIS A 105 18.864 -1.123 -21.539 1.00 53.01 H new ATOM 0 HD2 HIS A 105 20.008 -0.833 -19.055 1.00 74.33 H new ATOM 0 HE1 HIS A 105 21.515 -4.779 -18.666 1.00 34.41 H new ATOM 0 HE2 HIS A 105 21.463 -2.457 -17.626 1.00 0.21 H new ATOM 1600 N TRP A 106 15.384 -1.622 -22.039 1.00 51.35 N ATOM 1601 CA TRP A 106 14.464 -1.020 -22.998 1.00 34.30 C ATOM 1602 C TRP A 106 14.401 0.492 -22.818 1.00 5.44 C ATOM 1603 O TRP A 106 13.840 0.988 -21.840 1.00 54.34 O ATOM 1604 CB TRP A 106 13.066 -1.623 -22.842 1.00 4.24 C ATOM 1605 CG TRP A 106 12.026 -0.935 -23.673 1.00 3.51 C ATOM 1606 CD1 TRP A 106 10.812 -0.474 -23.250 1.00 3.30 C ATOM 1607 CD2 TRP A 106 12.108 -0.632 -25.070 1.00 4.42 C ATOM 1608 NE1 TRP A 106 10.135 0.098 -24.300 1.00 34.40 N ATOM 1609 CE2 TRP A 106 10.909 0.014 -25.427 1.00 55.31 C ATOM 1610 CE3 TRP A 106 13.079 -0.841 -26.053 1.00 1.11 C ATOM 1611 CZ2 TRP A 106 10.656 0.450 -26.725 1.00 70.32 C ATOM 1612 CZ3 TRP A 106 12.827 -0.408 -27.341 1.00 33.41 C ATOM 1613 CH2 TRP A 106 11.624 0.232 -27.668 1.00 32.53 C ATOM 0 H TRP A 106 15.042 -1.638 -21.078 1.00 51.35 H new ATOM 0 HA TRP A 106 14.835 -1.232 -24.001 1.00 34.30 H new ATOM 0 HB2 TRP A 106 13.100 -2.677 -23.116 1.00 4.24 H new ATOM 0 HB3 TRP A 106 12.773 -1.575 -21.793 1.00 4.24 H new ATOM 0 HD1 TRP A 106 10.439 -0.548 -22.239 1.00 3.30 H new ATOM 0 HE1 TRP A 106 9.207 0.517 -24.249 1.00 34.40 H new ATOM 0 HE3 TRP A 106 14.010 -1.332 -25.810 1.00 1.11 H new ATOM 0 HZ2 TRP A 106 9.729 0.943 -26.979 1.00 70.32 H new ATOM 0 HZ3 TRP A 106 13.570 -0.566 -28.109 1.00 33.41 H new ATOM 0 HH2 TRP A 106 11.457 0.560 -28.684 1.00 32.53 H new ATOM 1624 N HIS A 107 14.982 1.222 -23.766 1.00 33.54 N ATOM 1625 CA HIS A 107 14.991 2.679 -23.711 1.00 54.11 C ATOM 1626 C HIS A 107 13.992 3.266 -24.705 1.00 4.04 C ATOM 1627 O HIS A 107 14.048 2.975 -25.900 1.00 13.44 O ATOM 1628 CB HIS A 107 16.393 3.213 -24.004 1.00 21.12 C ATOM 1629 CG HIS A 107 17.430 2.734 -23.035 1.00 44.51 C ATOM 1630 ND1 HIS A 107 17.889 3.500 -21.984 1.00 53.41 N ATOM 1631 CD2 HIS A 107 18.098 1.559 -22.961 1.00 51.34 C ATOM 1632 CE1 HIS A 107 18.795 2.818 -21.307 1.00 34.21 C ATOM 1633 NE2 HIS A 107 18.940 1.636 -21.879 1.00 54.21 N ATOM 0 H HIS A 107 15.452 0.828 -24.581 1.00 33.54 H new ATOM 0 HA HIS A 107 14.698 2.982 -22.706 1.00 54.11 H new ATOM 0 HB2 HIS A 107 16.683 2.915 -25.011 1.00 21.12 H new ATOM 0 HB3 HIS A 107 16.369 4.303 -23.989 1.00 21.12 H new ATOM 0 HD1 HIS A 107 17.577 4.446 -21.764 1.00 53.41 H new ATOM 0 HD2 HIS A 107 17.989 0.717 -23.629 1.00 51.34 H new ATOM 0 HE1 HIS A 107 19.327 3.167 -20.434 1.00 34.21 H new ATOM 1641 N ARG A 108 13.081 4.092 -24.202 1.00 12.21 N ATOM 1642 CA ARG A 108 12.070 4.719 -25.045 1.00 60.22 C ATOM 1643 C ARG A 108 12.564 6.059 -25.582 1.00 24.11 C ATOM 1644 O ARG A 108 13.187 6.837 -24.859 1.00 65.43 O ATOM 1645 CB ARG A 108 10.773 4.919 -24.260 1.00 13.34 C ATOM 1646 CG ARG A 108 10.017 3.628 -23.992 1.00 10.00 C ATOM 1647 CD ARG A 108 9.132 3.246 -25.168 1.00 41.53 C ATOM 1648 NE ARG A 108 7.988 4.144 -25.307 1.00 22.15 N ATOM 1649 CZ ARG A 108 6.890 3.836 -25.988 1.00 23.43 C ATOM 1650 NH1 ARG A 108 6.788 2.658 -26.589 1.00 50.52 N ATOM 1651 NH2 ARG A 108 5.892 4.706 -26.068 1.00 35.52 N ATOM 0 H ARG A 108 13.022 4.343 -23.215 1.00 12.21 H new ATOM 0 HA ARG A 108 11.877 4.058 -25.890 1.00 60.22 H new ATOM 0 HB2 ARG A 108 11.004 5.399 -23.309 1.00 13.34 H new ATOM 0 HB3 ARG A 108 10.126 5.601 -24.812 1.00 13.34 H new ATOM 0 HG2 ARG A 108 10.726 2.825 -23.793 1.00 10.00 H new ATOM 0 HG3 ARG A 108 9.405 3.742 -23.097 1.00 10.00 H new ATOM 0 HD2 ARG A 108 9.720 3.264 -26.085 1.00 41.53 H new ATOM 0 HD3 ARG A 108 8.777 2.224 -25.037 1.00 41.53 H new ATOM 0 HE ARG A 108 8.035 5.058 -24.856 1.00 22.15 H new ATOM 0 HH11 ARG A 108 7.554 1.987 -26.529 1.00 50.52 H new ATOM 0 HH12 ARG A 108 5.944 2.423 -27.111 1.00 50.52 H new ATOM 0 HH21 ARG A 108 5.967 5.612 -25.606 1.00 35.52 H new ATOM 0 HH22 ARG A 108 5.049 4.469 -26.591 1.00 35.52 H new