USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -118:sc= 1.08 USER MOD Set 1.2: A 81 THR OG1 : rot -73:sc= 1.04 USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00632 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 30 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.99 X(o=-0.99,f=-1.1) USER MOD Single : A 37 MET CE :methyl 160:sc= -0.162 (180deg=-1.18) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.152) USER MOD Single : A 56 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -169:sc= 1.3 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= 1.5 (180deg=-0.563) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.029) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -0.0421 (180deg=-0.3) USER MOD Single : A 94 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 98 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.015) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 -29.544 -35.650 -10.871 1.00 32.35 N ATOM 258 CA ALA A 19 -28.894 -36.360 -9.777 1.00 5.12 C ATOM 259 C ALA A 19 -27.393 -36.088 -9.760 1.00 74.24 C ATOM 260 O ALA A 19 -26.663 -36.530 -10.646 1.00 21.40 O ATOM 261 CB ALA A 19 -29.159 -37.855 -9.886 1.00 22.14 C ATOM 0 HA ALA A 19 -29.314 -35.994 -8.840 1.00 5.12 H new ATOM 0 HB1 ALA A 19 -28.667 -38.373 -9.062 1.00 22.14 H new ATOM 0 HB2 ALA A 19 -30.232 -38.038 -9.841 1.00 22.14 H new ATOM 0 HB3 ALA A 19 -28.767 -38.226 -10.833 1.00 22.14 H new ATOM 267 N GLU A 20 -26.942 -35.356 -8.746 1.00 22.31 N ATOM 268 CA GLU A 20 -25.528 -35.023 -8.617 1.00 4.54 C ATOM 269 C GLU A 20 -25.036 -34.254 -9.840 1.00 63.41 C ATOM 270 O GLU A 20 -24.377 -34.816 -10.715 1.00 53.21 O ATOM 271 CB GLU A 20 -24.696 -36.294 -8.430 1.00 72.22 C ATOM 272 CG GLU A 20 -23.200 -36.040 -8.373 1.00 43.35 C ATOM 273 CD GLU A 20 -22.853 -34.763 -7.631 1.00 51.41 C ATOM 274 OE1 GLU A 20 -23.222 -34.647 -6.443 1.00 21.45 O ATOM 275 OE2 GLU A 20 -22.214 -33.879 -8.239 1.00 61.51 O ATOM 0 H GLU A 20 -27.534 -34.983 -8.004 1.00 22.31 H new ATOM 0 HA GLU A 20 -25.409 -34.388 -7.739 1.00 4.54 H new ATOM 0 HB2 GLU A 20 -25.007 -36.789 -7.510 1.00 72.22 H new ATOM 0 HB3 GLU A 20 -24.908 -36.981 -9.249 1.00 72.22 H new ATOM 0 HG2 GLU A 20 -22.710 -36.883 -7.886 1.00 43.35 H new ATOM 0 HG3 GLU A 20 -22.806 -35.985 -9.388 1.00 43.35 H new ATOM 282 N TRP A 21 -25.359 -32.968 -9.892 1.00 2.22 N ATOM 283 CA TRP A 21 -24.950 -32.121 -11.007 1.00 35.12 C ATOM 284 C TRP A 21 -23.438 -31.927 -11.018 1.00 44.41 C ATOM 285 O TRP A 21 -22.835 -31.618 -9.988 1.00 71.20 O ATOM 286 CB TRP A 21 -25.651 -30.764 -10.929 1.00 31.22 C ATOM 287 CG TRP A 21 -27.120 -30.836 -11.223 1.00 60.40 C ATOM 288 CD1 TRP A 21 -28.126 -31.035 -10.323 1.00 43.34 C ATOM 289 CD2 TRP A 21 -27.742 -30.714 -12.506 1.00 54.14 C ATOM 290 NE1 TRP A 21 -29.340 -31.042 -10.969 1.00 53.20 N ATOM 291 CE2 TRP A 21 -29.131 -30.845 -12.308 1.00 54.22 C ATOM 292 CE3 TRP A 21 -27.264 -30.501 -13.802 1.00 23.33 C ATOM 293 CZ2 TRP A 21 -30.043 -30.775 -13.359 1.00 32.41 C ATOM 294 CZ3 TRP A 21 -28.170 -30.431 -14.844 1.00 25.41 C ATOM 295 CH2 TRP A 21 -29.547 -30.566 -14.617 1.00 22.42 C ATOM 0 H TRP A 21 -25.903 -32.488 -9.175 1.00 2.22 H new ATOM 0 HA TRP A 21 -25.240 -32.618 -11.933 1.00 35.12 H new ATOM 0 HB2 TRP A 21 -25.507 -30.346 -9.933 1.00 31.22 H new ATOM 0 HB3 TRP A 21 -25.180 -30.079 -11.634 1.00 31.22 H new ATOM 0 HD1 TRP A 21 -27.989 -31.167 -9.260 1.00 43.34 H new ATOM 0 HE1 TRP A 21 -30.248 -31.173 -10.523 1.00 53.20 H new ATOM 0 HE3 TRP A 21 -26.205 -30.393 -13.986 1.00 23.33 H new ATOM 0 HZ2 TRP A 21 -31.104 -30.882 -13.187 1.00 32.41 H new ATOM 0 HZ3 TRP A 21 -27.811 -30.270 -15.850 1.00 25.41 H new ATOM 0 HH2 TRP A 21 -30.230 -30.504 -15.452 1.00 22.42 H new ATOM 306 N LEU A 22 -22.830 -32.106 -12.185 1.00 3.03 N ATOM 307 CA LEU A 22 -21.387 -31.949 -12.328 1.00 33.22 C ATOM 308 C LEU A 22 -21.051 -30.672 -13.091 1.00 25.24 C ATOM 309 O LEU A 22 -21.501 -30.475 -14.221 1.00 1.23 O ATOM 310 CB LEU A 22 -20.792 -33.160 -13.050 1.00 64.53 C ATOM 311 CG LEU A 22 -21.614 -33.721 -14.210 1.00 12.25 C ATOM 312 CD1 LEU A 22 -20.702 -34.258 -15.301 1.00 72.40 C ATOM 313 CD2 LEU A 22 -22.558 -34.809 -13.717 1.00 42.15 C ATOM 0 H LEU A 22 -23.314 -32.360 -13.046 1.00 3.03 H new ATOM 0 HA LEU A 22 -20.953 -31.879 -11.331 1.00 33.22 H new ATOM 0 HB2 LEU A 22 -19.808 -32.884 -13.429 1.00 64.53 H new ATOM 0 HB3 LEU A 22 -20.642 -33.955 -12.320 1.00 64.53 H new ATOM 0 HG LEU A 22 -22.211 -32.912 -14.631 1.00 12.25 H new ATOM 0 HD11 LEU A 22 -21.306 -34.653 -16.118 1.00 72.40 H new ATOM 0 HD12 LEU A 22 -20.068 -33.453 -15.674 1.00 72.40 H new ATOM 0 HD13 LEU A 22 -20.077 -35.053 -14.894 1.00 72.40 H new ATOM 0 HD21 LEU A 22 -23.135 -35.197 -14.556 1.00 42.15 H new ATOM 0 HD22 LEU A 22 -21.980 -35.617 -13.270 1.00 42.15 H new ATOM 0 HD23 LEU A 22 -23.236 -34.392 -12.972 1.00 42.15 H new ATOM 325 N TYR A 23 -20.255 -29.809 -12.469 1.00 0.41 N ATOM 326 CA TYR A 23 -19.859 -28.550 -13.089 1.00 52.55 C ATOM 327 C TYR A 23 -18.378 -28.273 -12.858 1.00 43.24 C ATOM 328 O TYR A 23 -17.738 -28.908 -12.021 1.00 21.25 O ATOM 329 CB TYR A 23 -20.699 -27.398 -12.534 1.00 22.12 C ATOM 330 CG TYR A 23 -21.603 -27.802 -11.392 1.00 24.14 C ATOM 331 CD1 TYR A 23 -21.079 -28.135 -10.150 1.00 5.04 C ATOM 332 CD2 TYR A 23 -22.982 -27.849 -11.555 1.00 15.01 C ATOM 333 CE1 TYR A 23 -21.901 -28.507 -9.103 1.00 75.13 C ATOM 334 CE2 TYR A 23 -23.812 -28.218 -10.514 1.00 24.11 C ATOM 335 CZ TYR A 23 -23.266 -28.546 -9.290 1.00 74.12 C ATOM 336 OH TYR A 23 -24.090 -28.913 -8.249 1.00 20.41 O ATOM 0 H TYR A 23 -19.871 -29.958 -11.536 1.00 0.41 H new ATOM 0 HA TYR A 23 -20.031 -28.631 -14.162 1.00 52.55 H new ATOM 0 HB2 TYR A 23 -20.033 -26.604 -12.196 1.00 22.12 H new ATOM 0 HB3 TYR A 23 -21.307 -26.983 -13.338 1.00 22.12 H new ATOM 0 HD1 TYR A 23 -20.010 -28.103 -9.999 1.00 5.04 H new ATOM 0 HD2 TYR A 23 -23.412 -27.593 -12.512 1.00 15.01 H new ATOM 0 HE1 TYR A 23 -21.476 -28.766 -8.144 1.00 75.13 H new ATOM 0 HE2 TYR A 23 -24.882 -28.250 -10.657 1.00 24.11 H new ATOM 0 HH TYR A 23 -25.014 -28.663 -8.459 1.00 20.41 H new ATOM 346 N GLY A 24 -17.838 -27.314 -13.607 1.00 13.23 N ATOM 347 CA GLY A 24 -16.435 -26.967 -13.468 1.00 54.00 C ATOM 348 C GLY A 24 -16.143 -25.551 -13.920 1.00 23.12 C ATOM 349 O GLY A 24 -15.457 -24.799 -13.227 1.00 53.13 O ATOM 0 H GLY A 24 -18.347 -26.773 -14.306 1.00 13.23 H new ATOM 0 HA2 GLY A 24 -16.137 -27.082 -12.426 1.00 54.00 H new ATOM 0 HA3 GLY A 24 -15.832 -27.663 -14.051 1.00 54.00 H new ATOM 353 N SER A 25 -16.663 -25.183 -15.088 1.00 24.12 N ATOM 354 CA SER A 25 -16.447 -23.849 -15.634 1.00 2.53 C ATOM 355 C SER A 25 -17.137 -22.793 -14.775 1.00 62.02 C ATOM 356 O SER A 25 -18.330 -22.893 -14.485 1.00 22.30 O ATOM 357 CB SER A 25 -16.968 -23.773 -17.071 1.00 2.33 C ATOM 358 OG SER A 25 -18.117 -22.948 -17.154 1.00 41.31 O ATOM 0 H SER A 25 -17.236 -25.791 -15.673 1.00 24.12 H new ATOM 0 HA SER A 25 -15.375 -23.651 -15.632 1.00 2.53 H new ATOM 0 HB2 SER A 25 -16.188 -23.382 -17.724 1.00 2.33 H new ATOM 0 HB3 SER A 25 -17.209 -24.775 -17.427 1.00 2.33 H new ATOM 0 HG SER A 25 -18.430 -22.915 -18.082 1.00 41.31 H new ATOM 364 N CYS A 26 -16.378 -21.780 -14.371 1.00 43.31 N ATOM 365 CA CYS A 26 -16.913 -20.704 -13.545 1.00 71.23 C ATOM 366 C CYS A 26 -16.954 -19.391 -14.321 1.00 63.42 C ATOM 367 O CYS A 26 -16.003 -19.041 -15.020 1.00 51.13 O ATOM 368 CB CYS A 26 -16.068 -20.536 -12.281 1.00 1.15 C ATOM 369 SG CYS A 26 -16.703 -21.446 -10.835 1.00 71.42 S ATOM 0 H CYS A 26 -15.389 -21.682 -14.602 1.00 43.31 H new ATOM 0 HA CYS A 26 -17.931 -20.969 -13.261 1.00 71.23 H new ATOM 0 HB2 CYS A 26 -15.052 -20.870 -12.489 1.00 1.15 H new ATOM 0 HB3 CYS A 26 -16.011 -19.476 -12.033 1.00 1.15 H new ATOM 375 N VAL A 27 -18.062 -18.668 -14.193 1.00 74.32 N ATOM 376 CA VAL A 27 -18.228 -17.393 -14.881 1.00 45.00 C ATOM 377 C VAL A 27 -18.156 -16.227 -13.901 1.00 73.23 C ATOM 378 O VAL A 27 -18.842 -16.219 -12.880 1.00 13.41 O ATOM 379 CB VAL A 27 -19.569 -17.332 -15.636 1.00 33.43 C ATOM 380 CG1 VAL A 27 -19.639 -16.083 -16.500 1.00 40.00 C ATOM 381 CG2 VAL A 27 -19.761 -18.585 -16.479 1.00 11.41 C ATOM 0 H VAL A 27 -18.859 -18.944 -13.619 1.00 74.32 H new ATOM 0 HA VAL A 27 -17.412 -17.312 -15.599 1.00 45.00 H new ATOM 0 HB VAL A 27 -20.377 -17.284 -14.906 1.00 33.43 H new ATOM 0 HG11 VAL A 27 -20.593 -16.057 -17.026 1.00 40.00 H new ATOM 0 HG12 VAL A 27 -19.548 -15.199 -15.869 1.00 40.00 H new ATOM 0 HG13 VAL A 27 -18.826 -16.096 -17.225 1.00 40.00 H new ATOM 0 HG21 VAL A 27 -20.713 -18.526 -17.006 1.00 11.41 H new ATOM 0 HG22 VAL A 27 -18.950 -18.664 -17.203 1.00 11.41 H new ATOM 0 HG23 VAL A 27 -19.758 -19.463 -15.832 1.00 11.41 H new ATOM 391 N ALA A 28 -17.320 -15.245 -14.220 1.00 50.42 N ATOM 392 CA ALA A 28 -17.160 -14.071 -13.369 1.00 71.13 C ATOM 393 C ALA A 28 -18.193 -13.002 -13.709 1.00 65.44 C ATOM 394 O ALA A 28 -18.380 -12.655 -14.875 1.00 3.03 O ATOM 395 CB ALA A 28 -15.753 -13.511 -13.504 1.00 65.14 C ATOM 0 H ALA A 28 -16.743 -15.238 -15.061 1.00 50.42 H new ATOM 0 HA ALA A 28 -17.320 -14.377 -12.335 1.00 71.13 H new ATOM 0 HB1 ALA A 28 -15.647 -12.635 -12.864 1.00 65.14 H new ATOM 0 HB2 ALA A 28 -15.029 -14.269 -13.205 1.00 65.14 H new ATOM 0 HB3 ALA A 28 -15.573 -13.227 -14.541 1.00 65.14 H new ATOM 401 N ASN A 29 -18.861 -12.484 -12.684 1.00 62.12 N ATOM 402 CA ASN A 29 -19.876 -11.455 -12.874 1.00 53.42 C ATOM 403 C ASN A 29 -19.239 -10.072 -12.960 1.00 42.31 C ATOM 404 O ASN A 29 -19.613 -9.255 -13.800 1.00 75.01 O ATOM 405 CB ASN A 29 -20.891 -11.491 -11.729 1.00 72.21 C ATOM 406 CG ASN A 29 -22.227 -12.065 -12.159 1.00 62.54 C ATOM 407 OD1 ASN A 29 -22.549 -13.213 -11.857 1.00 11.42 O ATOM 408 ND2 ASN A 29 -23.013 -11.265 -12.871 1.00 63.42 N ATOM 0 H ASN A 29 -18.718 -12.760 -11.713 1.00 62.12 H new ATOM 0 HA ASN A 29 -20.391 -11.658 -13.813 1.00 53.42 H new ATOM 0 HB2 ASN A 29 -20.489 -12.087 -10.910 1.00 72.21 H new ATOM 0 HB3 ASN A 29 -21.039 -10.481 -11.346 1.00 72.21 H new ATOM 0 HD21 ASN A 29 -23.924 -11.596 -13.190 1.00 63.42 H new ATOM 0 HD22 ASN A 29 -22.706 -10.319 -13.099 1.00 63.42 H new ATOM 415 N ASN A 30 -18.272 -9.816 -12.083 1.00 41.04 N ATOM 416 CA ASN A 30 -17.582 -8.532 -12.059 1.00 30.30 C ATOM 417 C ASN A 30 -16.901 -8.254 -13.396 1.00 54.24 C ATOM 418 O ASN A 30 -16.815 -7.108 -13.835 1.00 72.44 O ATOM 419 CB ASN A 30 -16.547 -8.506 -10.932 1.00 41.03 C ATOM 420 CG ASN A 30 -16.911 -7.523 -9.836 1.00 41.21 C ATOM 421 OD1 ASN A 30 -16.090 -6.700 -9.427 1.00 35.21 O ATOM 422 ND2 ASN A 30 -18.145 -7.604 -9.354 1.00 21.44 N ATOM 0 H ASN A 30 -17.949 -10.481 -11.380 1.00 41.04 H new ATOM 0 HA ASN A 30 -18.324 -7.753 -11.881 1.00 30.30 H new ATOM 0 HB2 ASN A 30 -16.454 -9.504 -10.505 1.00 41.03 H new ATOM 0 HB3 ASN A 30 -15.572 -8.243 -11.343 1.00 41.03 H new ATOM 0 HD21 ASN A 30 -18.447 -6.969 -8.615 1.00 21.44 H new ATOM 0 HD22 ASN A 30 -18.792 -8.301 -9.723 1.00 21.44 H new ATOM 429 N GLY A 31 -16.420 -9.313 -14.039 1.00 73.24 N ATOM 430 CA GLY A 31 -15.754 -9.164 -15.321 1.00 2.03 C ATOM 431 C GLY A 31 -14.466 -9.960 -15.401 1.00 40.04 C ATOM 432 O GLY A 31 -14.370 -10.921 -16.164 1.00 64.12 O ATOM 0 H GLY A 31 -16.479 -10.272 -13.696 1.00 73.24 H new ATOM 0 HA2 GLY A 31 -16.427 -9.486 -16.116 1.00 2.03 H new ATOM 0 HA3 GLY A 31 -15.537 -8.110 -15.494 1.00 2.03 H new ATOM 436 N ASP A 32 -13.475 -9.559 -14.613 1.00 2.13 N ATOM 437 CA ASP A 32 -12.186 -10.242 -14.599 1.00 64.11 C ATOM 438 C ASP A 32 -12.222 -11.450 -13.669 1.00 33.35 C ATOM 439 O ASP A 32 -12.071 -12.590 -14.110 1.00 1.54 O ATOM 440 CB ASP A 32 -11.080 -9.279 -14.163 1.00 12.23 C ATOM 441 CG ASP A 32 -9.723 -9.668 -14.716 1.00 72.23 C ATOM 442 OD1 ASP A 32 -9.441 -10.881 -14.800 1.00 32.52 O ATOM 443 OD2 ASP A 32 -8.944 -8.757 -15.067 1.00 71.33 O ATOM 0 H ASP A 32 -13.539 -8.765 -13.976 1.00 2.13 H new ATOM 0 HA ASP A 32 -11.976 -10.591 -15.610 1.00 64.11 H new ATOM 0 HB2 ASP A 32 -11.329 -8.271 -14.494 1.00 12.23 H new ATOM 0 HB3 ASP A 32 -11.032 -9.254 -13.074 1.00 12.23 H new ATOM 448 N CYS A 33 -12.423 -11.194 -12.381 1.00 21.01 N ATOM 449 CA CYS A 33 -12.476 -12.261 -11.388 1.00 42.22 C ATOM 450 C CYS A 33 -13.293 -11.831 -10.172 1.00 53.21 C ATOM 451 O CYS A 33 -13.341 -10.650 -9.829 1.00 61.01 O ATOM 452 CB CYS A 33 -11.063 -12.653 -10.952 1.00 54.13 C ATOM 453 SG CYS A 33 -9.880 -11.268 -10.933 1.00 23.33 S ATOM 0 H CYS A 33 -12.552 -10.257 -12.000 1.00 21.01 H new ATOM 0 HA CYS A 33 -12.960 -13.124 -11.845 1.00 42.22 H new ATOM 0 HB2 CYS A 33 -11.110 -13.090 -9.955 1.00 54.13 H new ATOM 0 HB3 CYS A 33 -10.689 -13.427 -11.622 1.00 54.13 H new ATOM 459 N GLY A 34 -13.935 -12.799 -9.526 1.00 20.22 N ATOM 460 CA GLY A 34 -14.741 -12.502 -8.356 1.00 74.13 C ATOM 461 C GLY A 34 -15.952 -13.405 -8.243 1.00 13.11 C ATOM 462 O GLY A 34 -16.143 -14.305 -9.060 1.00 64.32 O ATOM 0 H GLY A 34 -13.912 -13.784 -9.792 1.00 20.22 H new ATOM 0 HA2 GLY A 34 -14.129 -12.607 -7.460 1.00 74.13 H new ATOM 0 HA3 GLY A 34 -15.069 -11.463 -8.398 1.00 74.13 H new ATOM 466 N GLN A 35 -16.773 -13.167 -7.224 1.00 54.23 N ATOM 467 CA GLN A 35 -17.971 -13.969 -7.006 1.00 53.34 C ATOM 468 C GLN A 35 -18.983 -13.753 -8.128 1.00 2.52 C ATOM 469 O GLN A 35 -19.486 -12.647 -8.318 1.00 61.25 O ATOM 470 CB GLN A 35 -18.606 -13.620 -5.658 1.00 63.21 C ATOM 471 CG GLN A 35 -19.711 -14.576 -5.241 1.00 72.01 C ATOM 472 CD GLN A 35 -21.046 -14.234 -5.871 1.00 14.21 C ATOM 473 OE1 GLN A 35 -21.499 -14.908 -6.798 1.00 71.11 O ATOM 474 NE2 GLN A 35 -21.687 -13.183 -5.372 1.00 13.03 N ATOM 0 H GLN A 35 -16.630 -12.426 -6.538 1.00 54.23 H new ATOM 0 HA GLN A 35 -17.678 -15.019 -7.002 1.00 53.34 H new ATOM 0 HB2 GLN A 35 -17.832 -13.616 -4.891 1.00 63.21 H new ATOM 0 HB3 GLN A 35 -19.011 -12.609 -5.707 1.00 63.21 H new ATOM 0 HG2 GLN A 35 -19.432 -15.592 -5.520 1.00 72.01 H new ATOM 0 HG3 GLN A 35 -19.811 -14.559 -4.156 1.00 72.01 H new ATOM 0 HE21 GLN A 35 -21.276 -12.652 -4.604 1.00 13.03 H new ATOM 0 HE22 GLN A 35 -22.590 -12.907 -5.757 1.00 13.03 H new ATOM 483 N GLY A 36 -19.276 -14.819 -8.866 1.00 64.33 N ATOM 484 CA GLY A 36 -20.225 -14.726 -9.960 1.00 3.21 C ATOM 485 C GLY A 36 -21.101 -15.956 -10.074 1.00 35.22 C ATOM 486 O GLY A 36 -21.370 -16.629 -9.080 1.00 34.22 O ATOM 0 H GLY A 36 -18.873 -15.746 -8.726 1.00 64.33 H new ATOM 0 HA2 GLY A 36 -20.854 -13.848 -9.817 1.00 3.21 H new ATOM 0 HA3 GLY A 36 -19.684 -14.581 -10.895 1.00 3.21 H new ATOM 490 N MET A 37 -21.547 -16.252 -11.290 1.00 31.42 N ATOM 491 CA MET A 37 -22.399 -17.412 -11.530 1.00 35.33 C ATOM 492 C MET A 37 -21.644 -18.492 -12.300 1.00 64.52 C ATOM 493 O MET A 37 -20.559 -18.247 -12.827 1.00 61.43 O ATOM 494 CB MET A 37 -23.652 -16.999 -12.305 1.00 11.04 C ATOM 495 CG MET A 37 -24.817 -17.961 -12.134 1.00 1.55 C ATOM 496 SD MET A 37 -26.345 -17.124 -11.665 1.00 32.50 S ATOM 497 CE MET A 37 -27.103 -16.883 -13.270 1.00 1.11 C ATOM 0 H MET A 37 -21.333 -15.706 -12.124 1.00 31.42 H new ATOM 0 HA MET A 37 -22.695 -17.820 -10.564 1.00 35.33 H new ATOM 0 HB2 MET A 37 -23.961 -16.006 -11.978 1.00 11.04 H new ATOM 0 HB3 MET A 37 -23.406 -16.924 -13.364 1.00 11.04 H new ATOM 0 HG2 MET A 37 -24.975 -18.503 -13.066 1.00 1.55 H new ATOM 0 HG3 MET A 37 -24.564 -18.701 -11.374 1.00 1.55 H new ATOM 0 HE1 MET A 37 -28.173 -16.714 -13.146 1.00 1.11 H new ATOM 0 HE2 MET A 37 -26.653 -16.019 -13.759 1.00 1.11 H new ATOM 0 HE3 MET A 37 -26.945 -17.770 -13.884 1.00 1.11 H new ATOM 507 N ARG A 38 -22.224 -19.686 -12.360 1.00 71.13 N ATOM 508 CA ARG A 38 -21.605 -20.802 -13.064 1.00 50.21 C ATOM 509 C ARG A 38 -22.663 -21.677 -13.732 1.00 20.52 C ATOM 510 O ARG A 38 -23.712 -21.950 -13.152 1.00 55.12 O ATOM 511 CB ARG A 38 -20.770 -21.642 -12.096 1.00 15.20 C ATOM 512 CG ARG A 38 -20.572 -23.079 -12.553 1.00 45.11 C ATOM 513 CD ARG A 38 -19.351 -23.707 -11.897 1.00 45.44 C ATOM 514 NE ARG A 38 -19.433 -23.670 -10.438 1.00 74.42 N ATOM 515 CZ ARG A 38 -18.729 -24.468 -9.642 1.00 54.11 C ATOM 516 NH1 ARG A 38 -17.896 -25.358 -10.162 1.00 21.34 N ATOM 517 NH2 ARG A 38 -18.859 -24.374 -8.326 1.00 22.45 N ATOM 0 H ARG A 38 -23.122 -19.905 -11.929 1.00 71.13 H new ATOM 0 HA ARG A 38 -20.953 -20.396 -13.837 1.00 50.21 H new ATOM 0 HB2 ARG A 38 -19.795 -21.172 -11.968 1.00 15.20 H new ATOM 0 HB3 ARG A 38 -21.253 -21.643 -11.119 1.00 15.20 H new ATOM 0 HG2 ARG A 38 -21.459 -23.665 -12.311 1.00 45.11 H new ATOM 0 HG3 ARG A 38 -20.459 -23.105 -13.637 1.00 45.11 H new ATOM 0 HD2 ARG A 38 -19.253 -24.741 -12.228 1.00 45.44 H new ATOM 0 HD3 ARG A 38 -18.454 -23.181 -12.223 1.00 45.44 H new ATOM 0 HE ARG A 38 -20.065 -22.995 -10.007 1.00 74.42 H new ATOM 0 HH11 ARG A 38 -17.795 -25.431 -11.174 1.00 21.34 H new ATOM 0 HH12 ARG A 38 -17.356 -25.970 -9.550 1.00 21.34 H new ATOM 0 HH21 ARG A 38 -19.499 -23.689 -7.924 1.00 22.45 H new ATOM 0 HH22 ARG A 38 -18.319 -24.987 -7.715 1.00 22.45 H new ATOM 531 N GLU A 39 -22.376 -22.113 -14.955 1.00 12.02 N ATOM 532 CA GLU A 39 -23.302 -22.954 -15.701 1.00 32.34 C ATOM 533 C GLU A 39 -22.737 -24.363 -15.875 1.00 54.02 C ATOM 534 O GLU A 39 -21.707 -24.555 -16.520 1.00 53.05 O ATOM 535 CB GLU A 39 -23.597 -22.339 -17.070 1.00 14.22 C ATOM 536 CG GLU A 39 -24.839 -21.463 -17.088 1.00 74.52 C ATOM 537 CD GLU A 39 -24.548 -20.046 -17.541 1.00 42.21 C ATOM 538 OE1 GLU A 39 -23.511 -19.492 -17.121 1.00 44.41 O ATOM 539 OE2 GLU A 39 -25.356 -19.491 -18.314 1.00 11.35 O ATOM 0 H GLU A 39 -21.510 -21.897 -15.449 1.00 12.02 H new ATOM 0 HA GLU A 39 -24.230 -23.020 -15.134 1.00 32.34 H new ATOM 0 HB2 GLU A 39 -22.739 -21.745 -17.385 1.00 14.22 H new ATOM 0 HB3 GLU A 39 -23.716 -23.139 -17.801 1.00 14.22 H new ATOM 0 HG2 GLU A 39 -25.582 -21.907 -17.751 1.00 74.52 H new ATOM 0 HG3 GLU A 39 -25.276 -21.439 -16.090 1.00 74.52 H new ATOM 546 N GLY A 40 -23.422 -25.345 -15.296 1.00 44.43 N ATOM 547 CA GLY A 40 -22.975 -26.721 -15.398 1.00 72.32 C ATOM 548 C GLY A 40 -23.866 -27.555 -16.296 1.00 34.43 C ATOM 549 O GLY A 40 -25.053 -27.266 -16.448 1.00 34.24 O ATOM 0 H GLY A 40 -24.278 -25.211 -14.758 1.00 44.43 H new ATOM 0 HA2 GLY A 40 -21.956 -26.741 -15.783 1.00 72.32 H new ATOM 0 HA3 GLY A 40 -22.949 -27.166 -14.403 1.00 72.32 H new ATOM 553 N THR A 41 -23.294 -28.595 -16.895 1.00 10.14 N ATOM 554 CA THR A 41 -24.044 -29.473 -17.784 1.00 24.23 C ATOM 555 C THR A 41 -23.997 -30.918 -17.299 1.00 72.44 C ATOM 556 O THR A 41 -22.950 -31.407 -16.875 1.00 65.25 O ATOM 557 CB THR A 41 -23.502 -29.409 -19.225 1.00 13.24 C ATOM 558 OG1 THR A 41 -24.168 -30.377 -20.043 1.00 1.01 O ATOM 559 CG2 THR A 41 -22.002 -29.662 -19.251 1.00 42.21 C ATOM 0 H THR A 41 -22.313 -28.850 -16.780 1.00 10.14 H new ATOM 0 HA THR A 41 -25.076 -29.124 -17.776 1.00 24.23 H new ATOM 0 HB THR A 41 -23.693 -28.410 -19.617 1.00 13.24 H new ATOM 0 HG1 THR A 41 -23.819 -30.328 -20.957 1.00 1.01 H new ATOM 0 HG21 THR A 41 -21.642 -29.612 -20.279 1.00 42.21 H new ATOM 0 HG22 THR A 41 -21.495 -28.906 -18.652 1.00 42.21 H new ATOM 0 HG23 THR A 41 -21.793 -30.650 -18.841 1.00 42.21 H new ATOM 567 N CYS A 42 -25.136 -31.597 -17.366 1.00 12.04 N ATOM 568 CA CYS A 42 -25.226 -32.987 -16.935 1.00 23.25 C ATOM 569 C CYS A 42 -26.060 -33.809 -17.915 1.00 22.20 C ATOM 570 O CYS A 42 -27.261 -33.587 -18.060 1.00 25.30 O ATOM 571 CB CYS A 42 -25.836 -33.070 -15.535 1.00 54.41 C ATOM 572 SG CYS A 42 -26.256 -34.761 -15.006 1.00 14.11 S ATOM 0 H CYS A 42 -26.011 -31.207 -17.715 1.00 12.04 H new ATOM 0 HA CYS A 42 -24.217 -33.399 -16.910 1.00 23.25 H new ATOM 0 HB2 CYS A 42 -25.135 -32.640 -14.819 1.00 54.41 H new ATOM 0 HB3 CYS A 42 -26.737 -32.457 -15.506 1.00 54.41 H new ATOM 0 HG CYS A 42 -26.763 -34.728 -13.809 1.00 14.11 H new ATOM 578 N ASN A 43 -25.411 -34.757 -18.583 1.00 74.35 N ATOM 579 CA ASN A 43 -26.092 -35.611 -19.550 1.00 2.50 C ATOM 580 C ASN A 43 -26.516 -34.813 -20.778 1.00 31.35 C ATOM 581 O ASN A 43 -25.886 -34.895 -21.832 1.00 24.45 O ATOM 582 CB ASN A 43 -27.315 -36.268 -18.908 1.00 13.24 C ATOM 583 CG ASN A 43 -27.159 -37.770 -18.767 1.00 24.43 C ATOM 584 OD1 ASN A 43 -26.370 -38.249 -17.951 1.00 44.04 O ATOM 585 ND2 ASN A 43 -27.909 -38.522 -19.564 1.00 61.24 N ATOM 0 H ASN A 43 -24.416 -34.953 -18.473 1.00 74.35 H new ATOM 0 HA ASN A 43 -25.395 -36.387 -19.866 1.00 2.50 H new ATOM 0 HB2 ASN A 43 -27.485 -35.830 -17.925 1.00 13.24 H new ATOM 0 HB3 ASN A 43 -28.198 -36.052 -19.510 1.00 13.24 H new ATOM 0 HD21 ASN A 43 -27.845 -39.539 -19.515 1.00 61.24 H new ATOM 0 HD22 ASN A 43 -28.549 -38.083 -20.225 1.00 61.24 H new ATOM 592 N GLU A 44 -27.588 -34.040 -20.635 1.00 43.23 N ATOM 593 CA GLU A 44 -28.096 -33.227 -21.734 1.00 14.13 C ATOM 594 C GLU A 44 -28.912 -32.049 -21.207 1.00 22.20 C ATOM 595 O GLU A 44 -29.821 -31.563 -21.879 1.00 71.04 O ATOM 596 CB GLU A 44 -28.955 -34.077 -22.672 1.00 24.43 C ATOM 597 CG GLU A 44 -28.834 -33.680 -24.134 1.00 41.21 C ATOM 598 CD GLU A 44 -29.596 -34.612 -25.056 1.00 61.34 C ATOM 599 OE1 GLU A 44 -29.021 -35.645 -25.462 1.00 55.54 O ATOM 600 OE2 GLU A 44 -30.765 -34.309 -25.373 1.00 61.21 O ATOM 0 H GLU A 44 -28.121 -33.960 -19.769 1.00 43.23 H new ATOM 0 HA GLU A 44 -27.242 -32.837 -22.288 1.00 14.13 H new ATOM 0 HB2 GLU A 44 -28.670 -35.124 -22.564 1.00 24.43 H new ATOM 0 HB3 GLU A 44 -29.999 -33.997 -22.368 1.00 24.43 H new ATOM 0 HG2 GLU A 44 -29.206 -32.663 -24.263 1.00 41.21 H new ATOM 0 HG3 GLU A 44 -27.782 -33.673 -24.419 1.00 41.21 H new ATOM 607 N GLN A 45 -28.580 -31.599 -20.002 1.00 11.20 N ATOM 608 CA GLN A 45 -29.283 -30.480 -19.384 1.00 73.43 C ATOM 609 C GLN A 45 -28.297 -29.480 -18.790 1.00 71.31 C ATOM 610 O GLN A 45 -27.116 -29.783 -18.618 1.00 61.13 O ATOM 611 CB GLN A 45 -30.235 -30.985 -18.298 1.00 31.42 C ATOM 612 CG GLN A 45 -31.085 -32.165 -18.736 1.00 33.04 C ATOM 613 CD GLN A 45 -31.999 -32.666 -17.634 1.00 61.12 C ATOM 614 OE1 GLN A 45 -31.984 -32.149 -16.516 1.00 20.41 O ATOM 615 NE2 GLN A 45 -32.801 -33.678 -17.944 1.00 75.43 N ATOM 0 H GLN A 45 -27.829 -31.991 -19.434 1.00 11.20 H new ATOM 0 HA GLN A 45 -29.862 -29.975 -20.157 1.00 73.43 H new ATOM 0 HB2 GLN A 45 -29.654 -31.272 -17.422 1.00 31.42 H new ATOM 0 HB3 GLN A 45 -30.890 -30.169 -17.993 1.00 31.42 H new ATOM 0 HG2 GLN A 45 -31.686 -31.875 -19.598 1.00 33.04 H new ATOM 0 HG3 GLN A 45 -30.434 -32.977 -19.060 1.00 33.04 H new ATOM 0 HE21 GLN A 45 -32.780 -34.076 -18.883 1.00 75.43 H new ATOM 0 HE22 GLN A 45 -33.438 -34.057 -17.243 1.00 75.43 H new ATOM 624 N THR A 46 -28.791 -28.285 -18.476 1.00 22.25 N ATOM 625 CA THR A 46 -27.953 -27.240 -17.901 1.00 71.13 C ATOM 626 C THR A 46 -28.390 -26.905 -16.479 1.00 23.40 C ATOM 627 O THR A 46 -29.527 -27.172 -16.090 1.00 23.22 O ATOM 628 CB THR A 46 -27.991 -25.958 -18.753 1.00 43.04 C ATOM 629 OG1 THR A 46 -29.251 -25.855 -19.426 1.00 73.24 O ATOM 630 CG2 THR A 46 -26.865 -25.952 -19.775 1.00 23.12 C ATOM 0 H THR A 46 -29.766 -28.018 -18.610 1.00 22.25 H new ATOM 0 HA THR A 46 -26.934 -27.626 -17.883 1.00 71.13 H new ATOM 0 HB THR A 46 -27.862 -25.104 -18.088 1.00 43.04 H new ATOM 0 HG1 THR A 46 -29.268 -25.036 -19.964 1.00 73.24 H new ATOM 0 HG21 THR A 46 -26.913 -25.036 -20.364 1.00 23.12 H new ATOM 0 HG22 THR A 46 -25.906 -26.002 -19.260 1.00 23.12 H new ATOM 0 HG23 THR A 46 -26.968 -26.814 -20.434 1.00 23.12 H new ATOM 638 N ARG A 47 -27.479 -26.319 -15.709 1.00 23.44 N ATOM 639 CA ARG A 47 -27.771 -25.949 -14.329 1.00 41.43 C ATOM 640 C ARG A 47 -27.013 -24.685 -13.934 1.00 22.41 C ATOM 641 O ARG A 47 -26.020 -24.320 -14.565 1.00 42.52 O ATOM 642 CB ARG A 47 -27.405 -27.093 -13.382 1.00 53.15 C ATOM 643 CG ARG A 47 -27.901 -26.890 -11.961 1.00 54.31 C ATOM 644 CD ARG A 47 -29.406 -26.675 -11.921 1.00 63.04 C ATOM 645 NE ARG A 47 -30.036 -27.412 -10.829 1.00 13.31 N ATOM 646 CZ ARG A 47 -31.298 -27.232 -10.452 1.00 65.32 C ATOM 647 NH1 ARG A 47 -32.060 -26.344 -11.076 1.00 74.42 N ATOM 648 NH2 ARG A 47 -31.799 -27.940 -9.449 1.00 34.23 N ATOM 0 H ARG A 47 -26.534 -26.090 -16.017 1.00 23.44 H new ATOM 0 HA ARG A 47 -28.840 -25.751 -14.251 1.00 41.43 H new ATOM 0 HB2 ARG A 47 -27.818 -28.023 -13.773 1.00 53.15 H new ATOM 0 HB3 ARG A 47 -26.321 -27.208 -13.366 1.00 53.15 H new ATOM 0 HG2 ARG A 47 -27.640 -27.758 -11.356 1.00 54.31 H new ATOM 0 HG3 ARG A 47 -27.398 -26.030 -11.518 1.00 54.31 H new ATOM 0 HD2 ARG A 47 -29.617 -25.611 -11.810 1.00 63.04 H new ATOM 0 HD3 ARG A 47 -29.842 -26.989 -12.869 1.00 63.04 H new ATOM 0 HE ARG A 47 -29.477 -28.103 -10.328 1.00 13.31 H new ATOM 0 HH11 ARG A 47 -31.678 -25.797 -11.848 1.00 74.42 H new ATOM 0 HH12 ARG A 47 -33.028 -26.208 -10.784 1.00 74.42 H new ATOM 0 HH21 ARG A 47 -31.216 -28.623 -8.966 1.00 34.23 H new ATOM 0 HH22 ARG A 47 -32.767 -27.801 -9.160 1.00 34.23 H new ATOM 662 N LYS A 48 -27.487 -24.020 -12.886 1.00 20.02 N ATOM 663 CA LYS A 48 -26.853 -22.798 -12.404 1.00 73.14 C ATOM 664 C LYS A 48 -26.404 -22.952 -10.955 1.00 24.15 C ATOM 665 O LYS A 48 -27.126 -23.507 -10.126 1.00 4.42 O ATOM 666 CB LYS A 48 -27.820 -21.618 -12.526 1.00 60.10 C ATOM 667 CG LYS A 48 -27.736 -20.898 -13.861 1.00 22.44 C ATOM 668 CD LYS A 48 -28.914 -19.960 -14.065 1.00 32.43 C ATOM 669 CE LYS A 48 -29.056 -19.552 -15.522 1.00 64.22 C ATOM 670 NZ LYS A 48 -30.468 -19.637 -15.988 1.00 63.40 N ATOM 0 H LYS A 48 -28.308 -24.307 -12.354 1.00 20.02 H new ATOM 0 HA LYS A 48 -25.974 -22.607 -13.019 1.00 73.14 H new ATOM 0 HB2 LYS A 48 -28.839 -21.977 -12.380 1.00 60.10 H new ATOM 0 HB3 LYS A 48 -27.615 -20.907 -11.726 1.00 60.10 H new ATOM 0 HG2 LYS A 48 -26.806 -20.332 -13.912 1.00 22.44 H new ATOM 0 HG3 LYS A 48 -27.708 -21.630 -14.669 1.00 22.44 H new ATOM 0 HD2 LYS A 48 -29.830 -20.447 -13.732 1.00 32.43 H new ATOM 0 HD3 LYS A 48 -28.783 -19.071 -13.448 1.00 32.43 H new ATOM 0 HE2 LYS A 48 -28.692 -18.533 -15.651 1.00 64.22 H new ATOM 0 HE3 LYS A 48 -28.430 -20.194 -16.141 1.00 64.22 H new ATOM 0 HZ1 LYS A 48 -30.522 -19.351 -16.986 1.00 63.40 H new ATOM 0 HZ2 LYS A 48 -30.808 -20.615 -15.890 1.00 63.40 H new ATOM 0 HZ3 LYS A 48 -31.062 -19.005 -15.414 1.00 63.40 H new ATOM 684 N VAL A 49 -25.206 -22.457 -10.655 1.00 74.22 N ATOM 685 CA VAL A 49 -24.661 -22.539 -9.305 1.00 73.32 C ATOM 686 C VAL A 49 -23.725 -21.370 -9.020 1.00 32.24 C ATOM 687 O VAL A 49 -23.036 -20.879 -9.915 1.00 1.02 O ATOM 688 CB VAL A 49 -23.899 -23.858 -9.087 1.00 41.24 C ATOM 689 CG1 VAL A 49 -24.830 -25.049 -9.259 1.00 44.11 C ATOM 690 CG2 VAL A 49 -22.716 -23.955 -10.038 1.00 43.23 C ATOM 0 H VAL A 49 -24.595 -21.995 -11.329 1.00 74.22 H new ATOM 0 HA VAL A 49 -25.507 -22.500 -8.618 1.00 73.32 H new ATOM 0 HB VAL A 49 -23.517 -23.870 -8.066 1.00 41.24 H new ATOM 0 HG11 VAL A 49 -24.273 -25.972 -9.101 1.00 44.11 H new ATOM 0 HG12 VAL A 49 -25.640 -24.985 -8.533 1.00 44.11 H new ATOM 0 HG13 VAL A 49 -25.245 -25.044 -10.267 1.00 44.11 H new ATOM 0 HG21 VAL A 49 -22.189 -24.894 -9.869 1.00 43.23 H new ATOM 0 HG22 VAL A 49 -23.073 -23.919 -11.067 1.00 43.23 H new ATOM 0 HG23 VAL A 49 -22.037 -23.121 -9.860 1.00 43.23 H new ATOM 700 N LYS A 50 -23.705 -20.928 -7.767 1.00 25.12 N ATOM 701 CA LYS A 50 -22.851 -19.817 -7.361 1.00 2.44 C ATOM 702 C LYS A 50 -21.463 -20.312 -6.970 1.00 3.23 C ATOM 703 O LYS A 50 -21.324 -21.203 -6.131 1.00 42.12 O ATOM 704 CB LYS A 50 -23.484 -19.063 -6.190 1.00 52.03 C ATOM 705 CG LYS A 50 -24.879 -18.538 -6.486 1.00 14.10 C ATOM 706 CD LYS A 50 -24.830 -17.218 -7.237 1.00 44.33 C ATOM 707 CE LYS A 50 -26.020 -17.063 -8.170 1.00 52.22 C ATOM 708 NZ LYS A 50 -27.311 -17.296 -7.466 1.00 53.22 N ATOM 0 H LYS A 50 -24.270 -21.322 -7.015 1.00 25.12 H new ATOM 0 HA LYS A 50 -22.750 -19.140 -8.209 1.00 2.44 H new ATOM 0 HB2 LYS A 50 -23.530 -19.725 -5.325 1.00 52.03 H new ATOM 0 HB3 LYS A 50 -22.841 -18.227 -5.917 1.00 52.03 H new ATOM 0 HG2 LYS A 50 -25.428 -19.273 -7.075 1.00 14.10 H new ATOM 0 HG3 LYS A 50 -25.425 -18.406 -5.552 1.00 14.10 H new ATOM 0 HD2 LYS A 50 -24.815 -16.393 -6.525 1.00 44.33 H new ATOM 0 HD3 LYS A 50 -23.906 -17.159 -7.812 1.00 44.33 H new ATOM 0 HE2 LYS A 50 -26.016 -16.061 -8.600 1.00 52.22 H new ATOM 0 HE3 LYS A 50 -25.926 -17.765 -8.998 1.00 52.22 H new ATOM 0 HZ1 LYS A 50 -28.096 -16.955 -8.058 1.00 53.22 H new ATOM 0 HZ2 LYS A 50 -27.430 -18.313 -7.286 1.00 53.22 H new ATOM 0 HZ3 LYS A 50 -27.311 -16.782 -6.562 1.00 53.22 H new ATOM 722 N CYS A 51 -20.437 -19.729 -7.582 1.00 12.01 N ATOM 723 CA CYS A 51 -19.059 -20.110 -7.296 1.00 55.44 C ATOM 724 C CYS A 51 -18.148 -18.885 -7.282 1.00 71.12 C ATOM 725 O CYS A 51 -18.567 -17.784 -7.636 1.00 42.32 O ATOM 726 CB CYS A 51 -18.562 -21.117 -8.336 1.00 44.55 C ATOM 727 SG CYS A 51 -18.112 -20.372 -9.937 1.00 0.13 S ATOM 0 H CYS A 51 -20.534 -18.991 -8.279 1.00 12.01 H new ATOM 0 HA CYS A 51 -19.032 -20.572 -6.309 1.00 55.44 H new ATOM 0 HB2 CYS A 51 -17.694 -21.640 -7.934 1.00 44.55 H new ATOM 0 HB3 CYS A 51 -19.337 -21.865 -8.501 1.00 44.55 H new ATOM 733 N ARG A 52 -16.902 -19.088 -6.870 1.00 21.00 N ATOM 734 CA ARG A 52 -15.932 -18.001 -6.807 1.00 61.42 C ATOM 735 C ARG A 52 -14.932 -18.098 -7.956 1.00 4.00 C ATOM 736 O ARG A 52 -14.402 -19.171 -8.243 1.00 71.24 O ATOM 737 CB ARG A 52 -15.192 -18.026 -5.470 1.00 44.33 C ATOM 738 CG ARG A 52 -15.284 -16.720 -4.698 1.00 41.32 C ATOM 739 CD ARG A 52 -16.722 -16.398 -4.318 1.00 35.23 C ATOM 740 NE ARG A 52 -16.903 -16.330 -2.871 1.00 51.43 N ATOM 741 CZ ARG A 52 -18.082 -16.458 -2.272 1.00 2.12 C ATOM 742 NH1 ARG A 52 -19.177 -16.660 -2.991 1.00 32.31 N ATOM 743 NH2 ARG A 52 -18.167 -16.385 -0.949 1.00 24.14 N ATOM 0 H ARG A 52 -16.540 -19.995 -6.575 1.00 21.00 H new ATOM 0 HA ARG A 52 -16.473 -17.059 -6.897 1.00 61.42 H new ATOM 0 HB2 ARG A 52 -15.596 -18.831 -4.856 1.00 44.33 H new ATOM 0 HB3 ARG A 52 -14.142 -18.259 -5.650 1.00 44.33 H new ATOM 0 HG2 ARG A 52 -14.674 -16.785 -3.797 1.00 41.32 H new ATOM 0 HG3 ARG A 52 -14.876 -15.909 -5.302 1.00 41.32 H new ATOM 0 HD2 ARG A 52 -17.011 -15.447 -4.765 1.00 35.23 H new ATOM 0 HD3 ARG A 52 -17.385 -17.158 -4.731 1.00 35.23 H new ATOM 0 HE ARG A 52 -16.080 -16.176 -2.288 1.00 51.43 H new ATOM 0 HH11 ARG A 52 -19.116 -16.718 -4.008 1.00 32.31 H new ATOM 0 HH12 ARG A 52 -20.080 -16.758 -2.528 1.00 32.31 H new ATOM 0 HH21 ARG A 52 -17.327 -16.231 -0.392 1.00 24.14 H new ATOM 0 HH22 ARG A 52 -19.073 -16.483 -0.490 1.00 24.14 H new ATOM 757 N VAL A 53 -14.678 -16.969 -8.611 1.00 50.01 N ATOM 758 CA VAL A 53 -13.742 -16.927 -9.728 1.00 44.14 C ATOM 759 C VAL A 53 -12.504 -16.112 -9.375 1.00 23.12 C ATOM 760 O VAL A 53 -12.338 -14.970 -9.805 1.00 65.10 O ATOM 761 CB VAL A 53 -14.396 -16.327 -10.987 1.00 41.41 C ATOM 762 CG1 VAL A 53 -13.493 -16.508 -12.196 1.00 71.35 C ATOM 763 CG2 VAL A 53 -15.761 -16.957 -11.229 1.00 64.10 C ATOM 0 H VAL A 53 -15.108 -16.071 -8.387 1.00 50.01 H new ATOM 0 HA VAL A 53 -13.450 -17.956 -9.935 1.00 44.14 H new ATOM 0 HB VAL A 53 -14.538 -15.258 -10.828 1.00 41.41 H new ATOM 0 HG11 VAL A 53 -13.972 -16.078 -13.076 1.00 71.35 H new ATOM 0 HG12 VAL A 53 -12.542 -16.006 -12.018 1.00 71.35 H new ATOM 0 HG13 VAL A 53 -13.316 -17.571 -12.362 1.00 71.35 H new ATOM 0 HG21 VAL A 53 -16.209 -16.522 -12.122 1.00 64.10 H new ATOM 0 HG22 VAL A 53 -15.646 -18.032 -11.367 1.00 64.10 H new ATOM 0 HG23 VAL A 53 -16.406 -16.769 -10.371 1.00 64.10 H new ATOM 773 N PRO A 54 -11.610 -16.711 -8.573 1.00 42.15 N ATOM 774 CA PRO A 54 -10.369 -16.059 -8.145 1.00 21.00 C ATOM 775 C PRO A 54 -9.376 -15.893 -9.291 1.00 43.35 C ATOM 776 O PRO A 54 -9.310 -16.728 -10.194 1.00 22.10 O ATOM 777 CB PRO A 54 -9.811 -17.017 -7.090 1.00 51.13 C ATOM 778 CG PRO A 54 -10.382 -18.346 -7.444 1.00 54.32 C ATOM 779 CD PRO A 54 -11.742 -18.070 -8.024 1.00 21.31 C ATOM 0 HA PRO A 54 -10.546 -15.050 -7.774 1.00 21.00 H new ATOM 0 HB2 PRO A 54 -8.721 -17.036 -7.110 1.00 51.13 H new ATOM 0 HB3 PRO A 54 -10.106 -16.714 -6.085 1.00 51.13 H new ATOM 0 HG2 PRO A 54 -9.748 -18.864 -8.164 1.00 54.32 H new ATOM 0 HG3 PRO A 54 -10.455 -18.986 -6.565 1.00 54.32 H new ATOM 0 HD2 PRO A 54 -12.003 -18.792 -8.798 1.00 21.31 H new ATOM 0 HD3 PRO A 54 -12.521 -18.122 -7.264 1.00 21.31 H new ATOM 787 N CYS A 55 -8.605 -14.812 -9.250 1.00 40.44 N ATOM 788 CA CYS A 55 -7.616 -14.535 -10.283 1.00 32.01 C ATOM 789 C CYS A 55 -6.314 -15.279 -10.002 1.00 73.12 C ATOM 790 O CYS A 55 -5.668 -15.055 -8.980 1.00 2.13 O ATOM 791 CB CYS A 55 -7.349 -13.031 -10.375 1.00 23.10 C ATOM 792 SG CYS A 55 -8.173 -12.213 -11.778 1.00 71.21 S ATOM 0 H CYS A 55 -8.647 -14.112 -8.510 1.00 40.44 H new ATOM 0 HA CYS A 55 -8.015 -14.884 -11.236 1.00 32.01 H new ATOM 0 HB2 CYS A 55 -7.676 -12.558 -9.449 1.00 23.10 H new ATOM 0 HB3 CYS A 55 -6.274 -12.868 -10.454 1.00 23.10 H new ATOM 798 N ASN A 56 -5.934 -16.165 -10.918 1.00 70.35 N ATOM 799 CA ASN A 56 -4.710 -16.941 -10.769 1.00 33.14 C ATOM 800 C ASN A 56 -4.526 -17.898 -11.944 1.00 32.42 C ATOM 801 O ASN A 56 -4.015 -19.005 -11.781 1.00 33.45 O ATOM 802 CB ASN A 56 -4.736 -17.727 -9.457 1.00 62.14 C ATOM 803 CG ASN A 56 -6.110 -18.289 -9.147 1.00 1.15 C ATOM 804 OD1 ASN A 56 -6.831 -18.728 -10.045 1.00 25.12 O ATOM 805 ND2 ASN A 56 -6.480 -18.279 -7.872 1.00 34.41 N ATOM 0 H ASN A 56 -6.457 -16.362 -11.771 1.00 70.35 H new ATOM 0 HA ASN A 56 -3.870 -16.247 -10.753 1.00 33.14 H new ATOM 0 HB2 ASN A 56 -4.016 -18.544 -9.512 1.00 62.14 H new ATOM 0 HB3 ASN A 56 -4.420 -17.077 -8.641 1.00 62.14 H new ATOM 0 HD21 ASN A 56 -7.394 -18.645 -7.603 1.00 34.41 H new ATOM 0 HD22 ASN A 56 -5.851 -17.906 -7.161 1.00 34.41 H new ATOM 944 N CYS A 65 13.977 -4.185 -8.983 1.00 64.04 N ATOM 945 CA CYS A 65 14.888 -3.124 -9.395 1.00 43.24 C ATOM 946 C CYS A 65 15.764 -3.578 -10.558 1.00 64.05 C ATOM 947 O CYS A 65 16.335 -4.668 -10.530 1.00 25.43 O ATOM 948 CB CYS A 65 15.766 -2.692 -8.217 1.00 31.24 C ATOM 949 SG CYS A 65 15.575 -0.943 -7.748 1.00 65.20 S ATOM 0 HA CYS A 65 14.290 -2.274 -9.726 1.00 43.24 H new ATOM 0 HB2 CYS A 65 15.531 -3.316 -7.355 1.00 31.24 H new ATOM 0 HB3 CYS A 65 16.810 -2.877 -8.469 1.00 31.24 H new ATOM 955 N LYS A 66 15.865 -2.734 -11.579 1.00 63.34 N ATOM 956 CA LYS A 66 16.673 -3.046 -12.752 1.00 75.21 C ATOM 957 C LYS A 66 17.947 -2.208 -12.774 1.00 73.22 C ATOM 958 O LYS A 66 17.936 -1.034 -12.407 1.00 50.44 O ATOM 959 CB LYS A 66 15.867 -2.802 -14.031 1.00 13.32 C ATOM 960 CG LYS A 66 15.142 -4.038 -14.537 1.00 70.44 C ATOM 961 CD LYS A 66 16.077 -4.959 -15.303 1.00 4.53 C ATOM 962 CE LYS A 66 15.338 -6.163 -15.865 1.00 2.41 C ATOM 963 NZ LYS A 66 15.443 -7.347 -14.968 1.00 0.41 N ATOM 0 H LYS A 66 15.397 -1.828 -11.618 1.00 63.34 H new ATOM 0 HA LYS A 66 16.952 -4.098 -12.700 1.00 75.21 H new ATOM 0 HB2 LYS A 66 15.138 -2.013 -13.846 1.00 13.32 H new ATOM 0 HB3 LYS A 66 16.538 -2.440 -14.810 1.00 13.32 H new ATOM 0 HG2 LYS A 66 14.709 -4.577 -13.695 1.00 70.44 H new ATOM 0 HG3 LYS A 66 14.316 -3.738 -15.182 1.00 70.44 H new ATOM 0 HD2 LYS A 66 16.547 -4.407 -16.117 1.00 4.53 H new ATOM 0 HD3 LYS A 66 16.877 -5.297 -14.644 1.00 4.53 H new ATOM 0 HE2 LYS A 66 14.288 -5.909 -16.010 1.00 2.41 H new ATOM 0 HE3 LYS A 66 15.744 -6.413 -16.845 1.00 2.41 H new ATOM 0 HZ1 LYS A 66 14.926 -8.147 -15.387 1.00 0.41 H new ATOM 0 HZ2 LYS A 66 16.443 -7.605 -14.850 1.00 0.41 H new ATOM 0 HZ3 LYS A 66 15.033 -7.117 -14.040 1.00 0.41 H new ATOM 977 N TYR A 67 19.044 -2.819 -13.210 1.00 21.31 N ATOM 978 CA TYR A 67 20.327 -2.128 -13.280 1.00 34.25 C ATOM 979 C TYR A 67 21.039 -2.435 -14.594 1.00 60.30 C ATOM 980 O TYR A 67 20.613 -3.299 -15.360 1.00 51.44 O ATOM 981 CB TYR A 67 21.212 -2.534 -12.101 1.00 1.34 C ATOM 982 CG TYR A 67 20.868 -1.822 -10.812 1.00 52.32 C ATOM 983 CD1 TYR A 67 19.709 -2.131 -10.111 1.00 3.30 C ATOM 984 CD2 TYR A 67 21.703 -0.838 -10.294 1.00 32.34 C ATOM 985 CE1 TYR A 67 19.390 -1.482 -8.935 1.00 4.03 C ATOM 986 CE2 TYR A 67 21.393 -0.185 -9.118 1.00 45.22 C ATOM 987 CZ TYR A 67 20.236 -0.511 -8.442 1.00 45.44 C ATOM 988 OH TYR A 67 19.923 0.138 -7.269 1.00 42.41 O ATOM 0 H TYR A 67 19.070 -3.790 -13.520 1.00 21.31 H new ATOM 0 HA TYR A 67 20.138 -1.056 -13.232 1.00 34.25 H new ATOM 0 HB2 TYR A 67 21.126 -3.610 -11.946 1.00 1.34 H new ATOM 0 HB3 TYR A 67 22.253 -2.331 -12.352 1.00 1.34 H new ATOM 0 HD1 TYR A 67 19.046 -2.893 -10.493 1.00 3.30 H new ATOM 0 HD2 TYR A 67 22.610 -0.580 -10.821 1.00 32.34 H new ATOM 0 HE1 TYR A 67 18.483 -1.733 -8.404 1.00 4.03 H new ATOM 0 HE2 TYR A 67 22.053 0.577 -8.730 1.00 45.22 H new ATOM 0 HH TYR A 67 20.522 0.904 -7.149 1.00 42.41 H new ATOM 998 N LYS A 68 22.129 -1.719 -14.848 1.00 73.41 N ATOM 999 CA LYS A 68 22.905 -1.914 -16.068 1.00 12.24 C ATOM 1000 C LYS A 68 24.246 -2.571 -15.760 1.00 24.11 C ATOM 1001 O LYS A 68 25.201 -1.900 -15.362 1.00 54.10 O ATOM 1002 CB LYS A 68 23.130 -0.573 -16.771 1.00 35.23 C ATOM 1003 CG LYS A 68 22.927 -0.635 -18.276 1.00 12.41 C ATOM 1004 CD LYS A 68 24.252 -0.699 -19.016 1.00 70.31 C ATOM 1005 CE LYS A 68 24.209 0.106 -20.306 1.00 1.42 C ATOM 1006 NZ LYS A 68 25.575 0.412 -20.813 1.00 40.22 N ATOM 0 H LYS A 68 22.495 -0.999 -14.226 1.00 73.41 H new ATOM 0 HA LYS A 68 22.341 -2.574 -16.728 1.00 12.24 H new ATOM 0 HB2 LYS A 68 22.449 0.167 -16.351 1.00 35.23 H new ATOM 0 HB3 LYS A 68 24.143 -0.228 -16.563 1.00 35.23 H new ATOM 0 HG2 LYS A 68 22.327 -1.509 -18.527 1.00 12.41 H new ATOM 0 HG3 LYS A 68 22.368 0.241 -18.605 1.00 12.41 H new ATOM 0 HD2 LYS A 68 25.047 -0.318 -18.375 1.00 70.31 H new ATOM 0 HD3 LYS A 68 24.494 -1.738 -19.242 1.00 70.31 H new ATOM 0 HE2 LYS A 68 23.656 -0.450 -21.063 1.00 1.42 H new ATOM 0 HE3 LYS A 68 23.668 1.037 -20.136 1.00 1.42 H new ATOM 0 HZ1 LYS A 68 25.504 0.962 -21.693 1.00 40.22 H new ATOM 0 HZ2 LYS A 68 26.094 0.965 -20.101 1.00 40.22 H new ATOM 0 HZ3 LYS A 68 26.083 -0.476 -21.000 1.00 40.22 H new ATOM 1020 N PHE A 69 24.315 -3.883 -15.951 1.00 41.42 N ATOM 1021 CA PHE A 69 25.540 -4.631 -15.694 1.00 63.44 C ATOM 1022 C PHE A 69 26.420 -4.676 -16.939 1.00 24.22 C ATOM 1023 O PHE A 69 25.950 -4.983 -18.033 1.00 34.52 O ATOM 1024 CB PHE A 69 25.211 -6.052 -15.236 1.00 43.11 C ATOM 1025 CG PHE A 69 24.514 -6.108 -13.906 1.00 75.34 C ATOM 1026 CD1 PHE A 69 24.934 -5.308 -12.855 1.00 34.45 C ATOM 1027 CD2 PHE A 69 23.439 -6.960 -13.707 1.00 71.45 C ATOM 1028 CE1 PHE A 69 24.295 -5.356 -11.631 1.00 64.33 C ATOM 1029 CE2 PHE A 69 22.797 -7.011 -12.485 1.00 13.41 C ATOM 1030 CZ PHE A 69 23.225 -6.210 -11.446 1.00 2.32 C ATOM 0 H PHE A 69 23.536 -4.452 -16.283 1.00 41.42 H new ATOM 0 HA PHE A 69 26.087 -4.121 -14.901 1.00 63.44 H new ATOM 0 HB2 PHE A 69 24.582 -6.531 -15.987 1.00 43.11 H new ATOM 0 HB3 PHE A 69 26.134 -6.629 -15.178 1.00 43.11 H new ATOM 0 HD1 PHE A 69 25.771 -4.639 -12.994 1.00 34.45 H new ATOM 0 HD2 PHE A 69 23.100 -7.590 -14.516 1.00 71.45 H new ATOM 0 HE1 PHE A 69 24.631 -4.727 -10.820 1.00 64.33 H new ATOM 0 HE2 PHE A 69 21.960 -7.678 -12.343 1.00 13.41 H new ATOM 0 HZ PHE A 69 22.724 -6.251 -10.490 1.00 2.32 H new ATOM 1040 N GLY A 70 27.702 -4.368 -16.765 1.00 14.55 N ATOM 1041 CA GLY A 70 28.628 -4.379 -17.882 1.00 41.20 C ATOM 1042 C GLY A 70 29.329 -5.713 -18.040 1.00 73.34 C ATOM 1043 O GLY A 70 28.809 -6.623 -18.683 1.00 12.34 O ATOM 0 H GLY A 70 28.116 -4.111 -15.869 1.00 14.55 H new ATOM 0 HA2 GLY A 70 28.088 -4.145 -18.800 1.00 41.20 H new ATOM 0 HA3 GLY A 70 29.372 -3.595 -17.741 1.00 41.20 H new ATOM 1047 N ASN A 71 30.517 -5.829 -17.455 1.00 45.43 N ATOM 1048 CA ASN A 71 31.293 -7.062 -17.536 1.00 11.51 C ATOM 1049 C ASN A 71 31.743 -7.512 -16.150 1.00 24.05 C ATOM 1050 O ASN A 71 32.406 -6.767 -15.429 1.00 5.52 O ATOM 1051 CB ASN A 71 32.511 -6.864 -18.441 1.00 72.33 C ATOM 1052 CG ASN A 71 32.218 -7.209 -19.888 1.00 72.11 C ATOM 1053 OD1 ASN A 71 32.144 -6.330 -20.746 1.00 43.41 O ATOM 1054 ND2 ASN A 71 32.048 -8.497 -20.165 1.00 71.54 N ATOM 0 H ASN A 71 30.963 -5.084 -16.920 1.00 45.43 H new ATOM 0 HA ASN A 71 30.655 -7.837 -17.961 1.00 11.51 H new ATOM 0 HB2 ASN A 71 32.843 -5.828 -18.377 1.00 72.33 H new ATOM 0 HB3 ASN A 71 33.332 -7.484 -18.081 1.00 72.33 H new ATOM 0 HD21 ASN A 71 31.847 -8.791 -21.121 1.00 71.54 H new ATOM 0 HD22 ASN A 71 32.118 -9.192 -19.422 1.00 71.54 H new ATOM 1061 N TRP A 72 31.379 -8.737 -15.786 1.00 50.14 N ATOM 1062 CA TRP A 72 31.747 -9.289 -14.487 1.00 21.21 C ATOM 1063 C TRP A 72 33.242 -9.133 -14.232 1.00 35.44 C ATOM 1064 O TRP A 72 34.065 -9.484 -15.079 1.00 54.50 O ATOM 1065 CB TRP A 72 31.353 -10.764 -14.406 1.00 32.52 C ATOM 1066 CG TRP A 72 29.919 -11.017 -14.762 1.00 74.20 C ATOM 1067 CD1 TRP A 72 29.424 -11.326 -15.997 1.00 74.31 C ATOM 1068 CD2 TRP A 72 28.796 -10.980 -13.875 1.00 34.30 C ATOM 1069 NE1 TRP A 72 28.060 -11.483 -15.931 1.00 34.12 N ATOM 1070 CE2 TRP A 72 27.651 -11.277 -14.639 1.00 33.51 C ATOM 1071 CE3 TRP A 72 28.647 -10.727 -12.509 1.00 11.32 C ATOM 1072 CZ2 TRP A 72 26.376 -11.327 -14.082 1.00 74.42 C ATOM 1073 CZ3 TRP A 72 27.381 -10.776 -11.957 1.00 33.44 C ATOM 1074 CH2 TRP A 72 26.259 -11.075 -12.742 1.00 60.55 C ATOM 0 H TRP A 72 30.830 -9.366 -16.372 1.00 50.14 H new ATOM 0 HA TRP A 72 31.208 -8.734 -13.719 1.00 21.21 H new ATOM 0 HB2 TRP A 72 31.993 -11.341 -15.074 1.00 32.52 H new ATOM 0 HB3 TRP A 72 31.538 -11.127 -13.395 1.00 32.52 H new ATOM 0 HD1 TRP A 72 30.017 -11.431 -16.893 1.00 74.31 H new ATOM 0 HE1 TRP A 72 27.451 -11.715 -16.716 1.00 34.12 H new ATOM 0 HE3 TRP A 72 29.506 -10.497 -11.896 1.00 11.32 H new ATOM 0 HZ2 TRP A 72 25.510 -11.556 -14.686 1.00 74.42 H new ATOM 0 HZ3 TRP A 72 27.254 -10.581 -10.902 1.00 33.44 H new ATOM 0 HH2 TRP A 72 25.283 -11.107 -12.280 1.00 60.55 H new ATOM 1085 N GLY A 73 33.588 -8.608 -13.061 1.00 54.34 N ATOM 1086 CA GLY A 73 34.985 -8.416 -12.718 1.00 2.53 C ATOM 1087 C GLY A 73 35.757 -9.721 -12.680 1.00 73.21 C ATOM 1088 O GLY A 73 35.278 -10.746 -13.162 1.00 34.00 O ATOM 0 H GLY A 73 32.926 -8.312 -12.344 1.00 54.34 H new ATOM 0 HA2 GLY A 73 35.445 -7.746 -13.444 1.00 2.53 H new ATOM 0 HA3 GLY A 73 35.054 -7.928 -11.746 1.00 2.53 H new ATOM 1092 N GLU A 74 36.955 -9.681 -12.106 1.00 4.04 N ATOM 1093 CA GLU A 74 37.795 -10.869 -12.009 1.00 33.11 C ATOM 1094 C GLU A 74 37.342 -11.764 -10.860 1.00 3.35 C ATOM 1095 O GLU A 74 37.100 -11.291 -9.748 1.00 0.03 O ATOM 1096 CB GLU A 74 39.260 -10.472 -11.815 1.00 53.41 C ATOM 1097 CG GLU A 74 39.539 -9.819 -10.471 1.00 31.34 C ATOM 1098 CD GLU A 74 39.977 -10.817 -9.418 1.00 2.05 C ATOM 1099 OE1 GLU A 74 40.976 -11.530 -9.652 1.00 54.33 O ATOM 1100 OE2 GLU A 74 39.320 -10.887 -8.357 1.00 74.14 O ATOM 0 H GLU A 74 37.366 -8.840 -11.701 1.00 4.04 H new ATOM 0 HA GLU A 74 37.698 -11.427 -12.940 1.00 33.11 H new ATOM 0 HB2 GLU A 74 39.885 -11.359 -11.915 1.00 53.41 H new ATOM 0 HB3 GLU A 74 39.551 -9.786 -12.611 1.00 53.41 H new ATOM 0 HG2 GLU A 74 40.313 -9.062 -10.593 1.00 31.34 H new ATOM 0 HG3 GLU A 74 38.641 -9.305 -10.128 1.00 31.34 H new ATOM 1107 N CYS A 75 37.228 -13.059 -11.134 1.00 3.24 N ATOM 1108 CA CYS A 75 36.803 -14.021 -10.123 1.00 65.52 C ATOM 1109 C CYS A 75 37.981 -14.451 -9.253 1.00 24.43 C ATOM 1110 O CYS A 75 39.072 -14.721 -9.756 1.00 71.51 O ATOM 1111 CB CYS A 75 36.173 -15.246 -10.789 1.00 12.32 C ATOM 1112 SG CYS A 75 35.016 -14.845 -12.138 1.00 50.43 S ATOM 0 H CYS A 75 37.424 -13.467 -12.048 1.00 3.24 H new ATOM 0 HA CYS A 75 36.061 -13.539 -9.487 1.00 65.52 H new ATOM 0 HB2 CYS A 75 36.967 -15.881 -11.182 1.00 12.32 H new ATOM 0 HB3 CYS A 75 35.645 -15.827 -10.032 1.00 12.32 H new ATOM 1118 N ASP A 76 37.752 -14.514 -7.946 1.00 43.43 N ATOM 1119 CA ASP A 76 38.792 -14.913 -7.005 1.00 1.31 C ATOM 1120 C ASP A 76 38.626 -16.373 -6.598 1.00 52.04 C ATOM 1121 O ASP A 76 37.769 -16.706 -5.779 1.00 54.44 O ATOM 1122 CB ASP A 76 38.760 -14.017 -5.767 1.00 1.12 C ATOM 1123 CG ASP A 76 40.018 -13.184 -5.621 1.00 4.12 C ATOM 1124 OD1 ASP A 76 41.122 -13.766 -5.666 1.00 63.42 O ATOM 1125 OD2 ASP A 76 39.898 -11.953 -5.462 1.00 42.25 O ATOM 0 H ASP A 76 36.855 -14.294 -7.514 1.00 43.43 H new ATOM 0 HA ASP A 76 39.757 -14.801 -7.499 1.00 1.31 H new ATOM 0 HB2 ASP A 76 37.895 -13.356 -5.823 1.00 1.12 H new ATOM 0 HB3 ASP A 76 38.632 -14.635 -4.878 1.00 1.12 H new ATOM 1130 N ALA A 77 39.450 -17.242 -7.175 1.00 53.21 N ATOM 1131 CA ALA A 77 39.393 -18.666 -6.872 1.00 53.40 C ATOM 1132 C ALA A 77 39.555 -18.915 -5.376 1.00 23.30 C ATOM 1133 O ALA A 77 39.149 -19.958 -4.863 1.00 35.33 O ATOM 1134 CB ALA A 77 40.464 -19.415 -7.652 1.00 10.21 C ATOM 0 H ALA A 77 40.165 -16.984 -7.855 1.00 53.21 H new ATOM 0 HA ALA A 77 38.413 -19.038 -7.172 1.00 53.40 H new ATOM 0 HB1 ALA A 77 40.410 -20.478 -7.416 1.00 10.21 H new ATOM 0 HB2 ALA A 77 40.303 -19.272 -8.720 1.00 10.21 H new ATOM 0 HB3 ALA A 77 41.447 -19.032 -7.379 1.00 10.21 H new ATOM 1140 N ALA A 78 40.152 -17.952 -4.681 1.00 55.12 N ATOM 1141 CA ALA A 78 40.366 -18.067 -3.245 1.00 51.23 C ATOM 1142 C ALA A 78 39.042 -18.035 -2.488 1.00 73.31 C ATOM 1143 O ALA A 78 38.948 -18.520 -1.359 1.00 22.54 O ATOM 1144 CB ALA A 78 41.281 -16.953 -2.757 1.00 13.51 C ATOM 0 H ALA A 78 40.496 -17.083 -5.090 1.00 55.12 H new ATOM 0 HA ALA A 78 40.843 -19.027 -3.050 1.00 51.23 H new ATOM 0 HB1 ALA A 78 41.432 -17.051 -1.682 1.00 13.51 H new ATOM 0 HB2 ALA A 78 42.242 -17.022 -3.267 1.00 13.51 H new ATOM 0 HB3 ALA A 78 40.825 -15.987 -2.972 1.00 13.51 H new ATOM 1150 N THR A 79 38.021 -17.463 -3.116 1.00 11.22 N ATOM 1151 CA THR A 79 36.703 -17.367 -2.501 1.00 52.51 C ATOM 1152 C THR A 79 35.631 -17.972 -3.400 1.00 61.15 C ATOM 1153 O THR A 79 34.462 -18.055 -3.021 1.00 63.23 O ATOM 1154 CB THR A 79 36.331 -15.904 -2.192 1.00 52.10 C ATOM 1155 OG1 THR A 79 35.055 -15.849 -1.546 1.00 11.10 O ATOM 1156 CG2 THR A 79 36.296 -15.074 -3.467 1.00 5.25 C ATOM 0 H THR A 79 38.081 -17.059 -4.051 1.00 11.22 H new ATOM 0 HA THR A 79 36.750 -17.927 -1.567 1.00 52.51 H new ATOM 0 HB THR A 79 37.091 -15.491 -1.529 1.00 52.10 H new ATOM 0 HG1 THR A 79 34.428 -15.342 -2.103 1.00 11.10 H new ATOM 0 HG21 THR A 79 36.031 -14.045 -3.224 1.00 5.25 H new ATOM 0 HG22 THR A 79 37.277 -15.094 -3.941 1.00 5.25 H new ATOM 0 HG23 THR A 79 35.554 -15.488 -4.150 1.00 5.25 H new ATOM 1164 N SER A 80 36.035 -18.394 -4.594 1.00 71.12 N ATOM 1165 CA SER A 80 35.109 -18.988 -5.550 1.00 0.35 C ATOM 1166 C SER A 80 33.887 -18.097 -5.749 1.00 65.13 C ATOM 1167 O SER A 80 32.767 -18.583 -5.909 1.00 71.30 O ATOM 1168 CB SER A 80 34.671 -20.374 -5.073 1.00 24.05 C ATOM 1169 OG SER A 80 35.648 -20.955 -4.227 1.00 11.34 O ATOM 0 H SER A 80 36.999 -18.335 -4.922 1.00 71.12 H new ATOM 0 HA SER A 80 35.625 -19.086 -6.505 1.00 0.35 H new ATOM 0 HB2 SER A 80 33.724 -20.296 -4.539 1.00 24.05 H new ATOM 0 HB3 SER A 80 34.500 -21.021 -5.934 1.00 24.05 H new ATOM 0 HG SER A 80 35.343 -21.839 -3.935 1.00 11.34 H new ATOM 1175 N THR A 81 34.110 -16.786 -5.737 1.00 74.51 N ATOM 1176 CA THR A 81 33.028 -15.825 -5.914 1.00 23.33 C ATOM 1177 C THR A 81 33.533 -14.545 -6.573 1.00 53.11 C ATOM 1178 O THR A 81 34.630 -14.073 -6.275 1.00 5.14 O ATOM 1179 CB THR A 81 32.366 -15.470 -4.570 1.00 10.14 C ATOM 1180 OG1 THR A 81 33.348 -15.453 -3.529 1.00 44.14 O ATOM 1181 CG2 THR A 81 31.273 -16.471 -4.225 1.00 73.02 C ATOM 0 H THR A 81 35.030 -16.366 -5.607 1.00 74.51 H new ATOM 0 HA THR A 81 32.288 -16.297 -6.561 1.00 23.33 H new ATOM 0 HB THR A 81 31.917 -14.481 -4.662 1.00 10.14 H new ATOM 0 HG1 THR A 81 33.614 -16.372 -3.316 1.00 44.14 H new ATOM 0 HG21 THR A 81 30.819 -16.200 -3.272 1.00 73.02 H new ATOM 0 HG22 THR A 81 30.512 -16.461 -5.005 1.00 73.02 H new ATOM 0 HG23 THR A 81 31.704 -17.469 -4.151 1.00 73.02 H new ATOM 1189 N LYS A 82 32.724 -13.990 -7.468 1.00 62.21 N ATOM 1190 CA LYS A 82 33.088 -12.762 -8.168 1.00 55.23 C ATOM 1191 C LYS A 82 32.245 -11.588 -7.679 1.00 20.32 C ATOM 1192 O LYS A 82 31.160 -11.776 -7.129 1.00 74.10 O ATOM 1193 CB LYS A 82 32.907 -12.940 -9.678 1.00 45.23 C ATOM 1194 CG LYS A 82 31.523 -13.424 -10.072 1.00 75.33 C ATOM 1195 CD LYS A 82 31.169 -13.007 -11.490 1.00 23.33 C ATOM 1196 CE LYS A 82 31.130 -14.202 -12.429 1.00 22.41 C ATOM 1197 NZ LYS A 82 30.413 -13.890 -13.696 1.00 35.02 N ATOM 0 H LYS A 82 31.813 -14.369 -7.726 1.00 62.21 H new ATOM 0 HA LYS A 82 34.136 -12.548 -7.956 1.00 55.23 H new ATOM 0 HB2 LYS A 82 33.105 -11.990 -10.174 1.00 45.23 H new ATOM 0 HB3 LYS A 82 33.649 -13.650 -10.043 1.00 45.23 H new ATOM 0 HG2 LYS A 82 31.479 -14.510 -9.990 1.00 75.33 H new ATOM 0 HG3 LYS A 82 30.785 -13.022 -9.378 1.00 75.33 H new ATOM 0 HD2 LYS A 82 30.199 -12.509 -11.493 1.00 23.33 H new ATOM 0 HD3 LYS A 82 31.900 -12.283 -11.851 1.00 23.33 H new ATOM 0 HE2 LYS A 82 32.148 -14.518 -12.656 1.00 22.41 H new ATOM 0 HE3 LYS A 82 30.640 -15.039 -11.931 1.00 22.41 H new ATOM 0 HZ1 LYS A 82 29.568 -14.491 -13.774 1.00 35.02 H new ATOM 0 HZ2 LYS A 82 30.127 -12.890 -13.696 1.00 35.02 H new ATOM 0 HZ3 LYS A 82 31.042 -14.071 -14.504 1.00 35.02 H new ATOM 1211 N SER A 83 32.753 -10.377 -7.884 1.00 51.54 N ATOM 1212 CA SER A 83 32.048 -9.171 -7.462 1.00 74.22 C ATOM 1213 C SER A 83 31.959 -8.165 -8.605 1.00 33.32 C ATOM 1214 O SER A 83 32.836 -8.109 -9.467 1.00 60.52 O ATOM 1215 CB SER A 83 32.753 -8.537 -6.263 1.00 70.31 C ATOM 1216 OG SER A 83 32.172 -8.965 -5.044 1.00 11.44 O ATOM 0 H SER A 83 33.649 -10.204 -8.339 1.00 51.54 H new ATOM 0 HA SER A 83 31.036 -9.454 -7.172 1.00 74.22 H new ATOM 0 HB2 SER A 83 33.810 -8.801 -6.278 1.00 70.31 H new ATOM 0 HB3 SER A 83 32.695 -7.451 -6.336 1.00 70.31 H new ATOM 0 HG SER A 83 32.642 -8.547 -4.293 1.00 11.44 H new ATOM 1222 N ARG A 84 30.892 -7.373 -8.607 1.00 2.14 N ATOM 1223 CA ARG A 84 30.686 -6.369 -9.644 1.00 1.21 C ATOM 1224 C ARG A 84 29.802 -5.235 -9.136 1.00 22.42 C ATOM 1225 O ARG A 84 29.240 -5.312 -8.042 1.00 33.02 O ATOM 1226 CB ARG A 84 30.055 -7.007 -10.882 1.00 12.02 C ATOM 1227 CG ARG A 84 30.564 -6.428 -12.193 1.00 32.11 C ATOM 1228 CD ARG A 84 29.455 -6.338 -13.230 1.00 31.45 C ATOM 1229 NE ARG A 84 29.086 -4.955 -13.520 1.00 1.55 N ATOM 1230 CZ ARG A 84 29.886 -4.096 -14.140 1.00 13.13 C ATOM 1231 NH1 ARG A 84 31.094 -4.476 -14.535 1.00 62.14 N ATOM 1232 NH2 ARG A 84 29.479 -2.854 -14.368 1.00 22.13 N ATOM 0 H ARG A 84 30.156 -7.407 -7.901 1.00 2.14 H new ATOM 0 HA ARG A 84 31.658 -5.955 -9.912 1.00 1.21 H new ATOM 0 HB2 ARG A 84 30.251 -8.079 -10.868 1.00 12.02 H new ATOM 0 HB3 ARG A 84 28.973 -6.880 -10.834 1.00 12.02 H new ATOM 0 HG2 ARG A 84 30.980 -5.436 -12.017 1.00 32.11 H new ATOM 0 HG3 ARG A 84 31.373 -7.050 -12.577 1.00 32.11 H new ATOM 0 HD2 ARG A 84 29.778 -6.827 -14.149 1.00 31.45 H new ATOM 0 HD3 ARG A 84 28.579 -6.879 -12.872 1.00 31.45 H new ATOM 0 HE ARG A 84 28.163 -4.631 -13.230 1.00 1.55 H new ATOM 0 HH11 ARG A 84 31.410 -5.430 -14.363 1.00 62.14 H new ATOM 0 HH12 ARG A 84 31.707 -3.814 -15.011 1.00 62.14 H new ATOM 0 HH21 ARG A 84 28.550 -2.558 -14.067 1.00 22.13 H new ATOM 0 HH22 ARG A 84 30.095 -2.195 -14.844 1.00 22.13 H new ATOM 1246 N THR A 85 29.684 -4.179 -9.936 1.00 15.24 N ATOM 1247 CA THR A 85 28.868 -3.029 -9.566 1.00 64.20 C ATOM 1248 C THR A 85 27.955 -2.611 -10.713 1.00 73.23 C ATOM 1249 O THR A 85 28.410 -2.393 -11.835 1.00 64.15 O ATOM 1250 CB THR A 85 29.745 -1.827 -9.161 1.00 33.24 C ATOM 1251 OG1 THR A 85 31.070 -1.993 -9.678 1.00 44.43 O ATOM 1252 CG2 THR A 85 29.798 -1.684 -7.647 1.00 73.44 C ATOM 0 H THR A 85 30.143 -4.097 -10.843 1.00 15.24 H new ATOM 0 HA THR A 85 28.261 -3.333 -8.713 1.00 64.20 H new ATOM 0 HB THR A 85 29.303 -0.923 -9.580 1.00 33.24 H new ATOM 0 HG1 THR A 85 31.621 -1.225 -9.418 1.00 44.43 H new ATOM 0 HG21 THR A 85 30.422 -0.830 -7.384 1.00 73.44 H new ATOM 0 HG22 THR A 85 28.790 -1.530 -7.261 1.00 73.44 H new ATOM 0 HG23 THR A 85 30.220 -2.589 -7.211 1.00 73.44 H new ATOM 1260 N GLY A 86 26.662 -2.503 -10.424 1.00 71.13 N ATOM 1261 CA GLY A 86 25.703 -2.112 -11.441 1.00 2.32 C ATOM 1262 C GLY A 86 25.099 -0.748 -11.173 1.00 73.25 C ATOM 1263 O GLY A 86 24.758 -0.423 -10.035 1.00 23.44 O ATOM 0 H GLY A 86 26.261 -2.679 -9.503 1.00 71.13 H new ATOM 0 HA2 GLY A 86 26.193 -2.104 -12.415 1.00 2.32 H new ATOM 0 HA3 GLY A 86 24.907 -2.855 -11.491 1.00 2.32 H new ATOM 1267 N THR A 87 24.963 0.054 -12.225 1.00 64.13 N ATOM 1268 CA THR A 87 24.398 1.391 -12.098 1.00 73.14 C ATOM 1269 C THR A 87 22.894 1.378 -12.343 1.00 54.14 C ATOM 1270 O THR A 87 22.416 0.776 -13.305 1.00 73.34 O ATOM 1271 CB THR A 87 25.057 2.376 -13.082 1.00 64.14 C ATOM 1272 OG1 THR A 87 26.466 2.125 -13.156 1.00 44.14 O ATOM 1273 CG2 THR A 87 24.815 3.815 -12.653 1.00 44.34 C ATOM 0 H THR A 87 25.237 -0.200 -13.174 1.00 64.13 H new ATOM 0 HA THR A 87 24.595 1.721 -11.078 1.00 73.14 H new ATOM 0 HB THR A 87 24.609 2.227 -14.065 1.00 64.14 H new ATOM 0 HG1 THR A 87 26.878 2.754 -13.785 1.00 44.14 H new ATOM 0 HG21 THR A 87 25.290 4.491 -13.364 1.00 44.34 H new ATOM 0 HG22 THR A 87 23.743 4.011 -12.626 1.00 44.34 H new ATOM 0 HG23 THR A 87 25.238 3.975 -11.661 1.00 44.34 H new ATOM 1281 N LEU A 88 22.150 2.045 -11.468 1.00 2.43 N ATOM 1282 CA LEU A 88 20.698 2.110 -11.590 1.00 54.35 C ATOM 1283 C LEU A 88 20.291 2.774 -12.901 1.00 73.13 C ATOM 1284 O LEU A 88 20.635 3.927 -13.155 1.00 64.42 O ATOM 1285 CB LEU A 88 20.101 2.879 -10.409 1.00 3.22 C ATOM 1286 CG LEU A 88 18.574 2.952 -10.359 1.00 23.32 C ATOM 1287 CD1 LEU A 88 17.971 1.558 -10.378 1.00 14.23 C ATOM 1288 CD2 LEU A 88 18.118 3.717 -9.124 1.00 72.34 C ATOM 0 H LEU A 88 22.528 2.549 -10.666 1.00 2.43 H new ATOM 0 HA LEU A 88 20.312 1.091 -11.585 1.00 54.35 H new ATOM 0 HB2 LEU A 88 20.453 2.419 -9.486 1.00 3.22 H new ATOM 0 HB3 LEU A 88 20.493 3.896 -10.428 1.00 3.22 H new ATOM 0 HG LEU A 88 18.226 3.486 -11.243 1.00 23.32 H new ATOM 0 HD11 LEU A 88 16.884 1.631 -10.342 1.00 14.23 H new ATOM 0 HD12 LEU A 88 18.270 1.045 -11.292 1.00 14.23 H new ATOM 0 HD13 LEU A 88 18.326 0.996 -9.514 1.00 14.23 H new ATOM 0 HD21 LEU A 88 17.029 3.760 -9.104 1.00 72.34 H new ATOM 0 HD22 LEU A 88 18.478 3.210 -8.229 1.00 72.34 H new ATOM 0 HD23 LEU A 88 18.520 4.730 -9.154 1.00 72.34 H new ATOM 1300 N GLN A 89 19.555 2.038 -13.728 1.00 42.33 N ATOM 1301 CA GLN A 89 19.099 2.557 -15.012 1.00 34.12 C ATOM 1302 C GLN A 89 17.886 3.464 -14.832 1.00 73.41 C ATOM 1303 O GLN A 89 17.992 4.687 -14.926 1.00 32.35 O ATOM 1304 CB GLN A 89 18.755 1.406 -15.958 1.00 5.11 C ATOM 1305 CG GLN A 89 19.959 0.846 -16.699 1.00 43.10 C ATOM 1306 CD GLN A 89 19.603 0.313 -18.072 1.00 75.10 C ATOM 1307 OE1 GLN A 89 19.425 1.077 -19.022 1.00 3.32 O ATOM 1308 NE2 GLN A 89 19.497 -1.007 -18.185 1.00 70.54 N ATOM 0 H GLN A 89 19.262 1.081 -13.532 1.00 42.33 H new ATOM 0 HA GLN A 89 19.908 3.145 -15.446 1.00 34.12 H new ATOM 0 HB2 GLN A 89 18.286 0.605 -15.387 1.00 5.11 H new ATOM 0 HB3 GLN A 89 18.020 1.752 -16.685 1.00 5.11 H new ATOM 0 HG2 GLN A 89 20.713 1.626 -16.801 1.00 43.10 H new ATOM 0 HG3 GLN A 89 20.405 0.046 -16.108 1.00 43.10 H new ATOM 0 HE21 GLN A 89 19.653 -1.603 -17.372 1.00 70.54 H new ATOM 0 HE22 GLN A 89 19.260 -1.424 -19.085 1.00 70.54 H new ATOM 1317 N LYS A 90 16.732 2.857 -14.577 1.00 33.24 N ATOM 1318 CA LYS A 90 15.497 3.608 -14.384 1.00 2.33 C ATOM 1319 C LYS A 90 14.615 2.943 -13.331 1.00 75.43 C ATOM 1320 O LYS A 90 14.759 1.755 -13.047 1.00 24.41 O ATOM 1321 CB LYS A 90 14.735 3.724 -15.705 1.00 33.12 C ATOM 1322 CG LYS A 90 14.262 2.388 -16.255 1.00 2.24 C ATOM 1323 CD LYS A 90 15.359 1.689 -17.042 1.00 50.43 C ATOM 1324 CE LYS A 90 14.874 1.272 -18.422 1.00 13.20 C ATOM 1325 NZ LYS A 90 14.501 2.447 -19.257 1.00 70.35 N ATOM 0 H LYS A 90 16.626 1.846 -14.499 1.00 33.24 H new ATOM 0 HA LYS A 90 15.759 4.607 -14.035 1.00 2.33 H new ATOM 0 HB2 LYS A 90 13.872 4.374 -15.561 1.00 33.12 H new ATOM 0 HB3 LYS A 90 15.376 4.205 -16.444 1.00 33.12 H new ATOM 0 HG2 LYS A 90 13.939 1.749 -15.433 1.00 2.24 H new ATOM 0 HG3 LYS A 90 13.395 2.544 -16.897 1.00 2.24 H new ATOM 0 HD2 LYS A 90 16.217 2.354 -17.142 1.00 50.43 H new ATOM 0 HD3 LYS A 90 15.699 0.810 -16.493 1.00 50.43 H new ATOM 0 HE2 LYS A 90 15.656 0.703 -18.925 1.00 13.20 H new ATOM 0 HE3 LYS A 90 14.013 0.611 -18.320 1.00 13.20 H new ATOM 0 HZ1 LYS A 90 14.603 2.204 -20.263 1.00 70.35 H new ATOM 0 HZ2 LYS A 90 13.514 2.712 -19.063 1.00 70.35 H new ATOM 0 HZ3 LYS A 90 15.125 3.247 -19.029 1.00 70.35 H new ATOM 1339 N ALA A 91 13.699 3.718 -12.760 1.00 53.04 N ATOM 1340 CA ALA A 91 12.791 3.203 -11.743 1.00 40.24 C ATOM 1341 C ALA A 91 11.454 2.797 -12.355 1.00 53.15 C ATOM 1342 O ALA A 91 10.725 3.636 -12.890 1.00 43.51 O ATOM 1343 CB ALA A 91 12.579 4.239 -10.650 1.00 65.34 C ATOM 0 H ALA A 91 13.566 4.704 -12.984 1.00 53.04 H new ATOM 0 HA ALA A 91 13.245 2.315 -11.303 1.00 40.24 H new ATOM 0 HB1 ALA A 91 11.899 3.840 -9.898 1.00 65.34 H new ATOM 0 HB2 ALA A 91 13.535 4.478 -10.184 1.00 65.34 H new ATOM 0 HB3 ALA A 91 12.151 5.143 -11.083 1.00 65.34 H new ATOM 1349 N LEU A 92 11.138 1.511 -12.276 1.00 13.43 N ATOM 1350 CA LEU A 92 9.887 0.994 -12.822 1.00 3.11 C ATOM 1351 C LEU A 92 8.851 0.799 -11.721 1.00 41.04 C ATOM 1352 O LEU A 92 7.646 0.835 -11.973 1.00 62.54 O ATOM 1353 CB LEU A 92 10.134 -0.330 -13.546 1.00 34.14 C ATOM 1354 CG LEU A 92 10.969 -1.364 -12.790 1.00 70.13 C ATOM 1355 CD1 LEU A 92 10.476 -2.771 -13.088 1.00 12.11 C ATOM 1356 CD2 LEU A 92 12.442 -1.227 -13.149 1.00 54.14 C ATOM 0 H LEU A 92 11.730 0.805 -11.839 1.00 13.43 H new ATOM 0 HA LEU A 92 9.500 1.724 -13.533 1.00 3.11 H new ATOM 0 HB2 LEU A 92 9.168 -0.776 -13.784 1.00 34.14 H new ATOM 0 HB3 LEU A 92 10.628 -0.116 -14.494 1.00 34.14 H new ATOM 0 HG LEU A 92 10.857 -1.180 -11.721 1.00 70.13 H new ATOM 0 HD11 LEU A 92 11.083 -3.493 -12.541 1.00 12.11 H new ATOM 0 HD12 LEU A 92 9.435 -2.865 -12.780 1.00 12.11 H new ATOM 0 HD13 LEU A 92 10.557 -2.966 -14.157 1.00 12.11 H new ATOM 0 HD21 LEU A 92 13.021 -1.971 -12.601 1.00 54.14 H new ATOM 0 HD22 LEU A 92 12.571 -1.383 -14.220 1.00 54.14 H new ATOM 0 HD23 LEU A 92 12.790 -0.229 -12.883 1.00 54.14 H new ATOM 1368 N PHE A 93 9.326 0.595 -10.497 1.00 3.33 N ATOM 1369 CA PHE A 93 8.441 0.396 -9.356 1.00 5.13 C ATOM 1370 C PHE A 93 8.548 1.558 -8.374 1.00 51.04 C ATOM 1371 O PHE A 93 7.729 1.698 -7.467 1.00 33.03 O ATOM 1372 CB PHE A 93 8.776 -0.918 -8.645 1.00 43.31 C ATOM 1373 CG PHE A 93 8.006 -2.096 -9.168 1.00 70.24 C ATOM 1374 CD1 PHE A 93 6.680 -2.288 -8.812 1.00 44.04 C ATOM 1375 CD2 PHE A 93 8.606 -3.011 -10.017 1.00 32.54 C ATOM 1376 CE1 PHE A 93 5.970 -3.372 -9.292 1.00 53.22 C ATOM 1377 CE2 PHE A 93 7.900 -4.097 -10.501 1.00 22.42 C ATOM 1378 CZ PHE A 93 6.580 -4.276 -10.138 1.00 73.21 C ATOM 0 H PHE A 93 10.320 0.563 -10.270 1.00 3.33 H new ATOM 0 HA PHE A 93 7.417 0.350 -9.728 1.00 5.13 H new ATOM 0 HB2 PHE A 93 9.843 -1.116 -8.749 1.00 43.31 H new ATOM 0 HB3 PHE A 93 8.575 -0.807 -7.580 1.00 43.31 H new ATOM 0 HD1 PHE A 93 6.197 -1.583 -8.152 1.00 44.04 H new ATOM 0 HD2 PHE A 93 9.638 -2.875 -10.305 1.00 32.54 H new ATOM 0 HE1 PHE A 93 4.938 -3.512 -9.005 1.00 53.22 H new ATOM 0 HE2 PHE A 93 8.380 -4.804 -11.162 1.00 22.42 H new ATOM 0 HZ PHE A 93 6.025 -5.122 -10.516 1.00 73.21 H new ATOM 1388 N ASN A 94 9.565 2.392 -8.564 1.00 3.50 N ATOM 1389 CA ASN A 94 9.781 3.544 -7.695 1.00 63.14 C ATOM 1390 C ASN A 94 10.077 3.099 -6.265 1.00 50.05 C ATOM 1391 O ASN A 94 9.898 3.863 -5.317 1.00 50.32 O ATOM 1392 CB ASN A 94 8.555 4.460 -7.713 1.00 25.11 C ATOM 1393 CG ASN A 94 7.927 4.558 -9.089 1.00 22.33 C ATOM 1394 OD1 ASN A 94 8.576 4.970 -10.051 1.00 30.40 O ATOM 1395 ND2 ASN A 94 6.658 4.181 -9.190 1.00 3.14 N ATOM 0 H ASN A 94 10.252 2.292 -9.311 1.00 3.50 H new ATOM 0 HA ASN A 94 10.643 4.095 -8.071 1.00 63.14 H new ATOM 0 HB2 ASN A 94 7.815 4.086 -7.005 1.00 25.11 H new ATOM 0 HB3 ASN A 94 8.844 5.456 -7.377 1.00 25.11 H new ATOM 0 HD21 ASN A 94 6.183 4.226 -10.091 1.00 3.14 H new ATOM 0 HD22 ASN A 94 6.158 3.846 -8.366 1.00 3.14 H new ATOM 1402 N VAL A 95 10.531 1.858 -6.120 1.00 42.54 N ATOM 1403 CA VAL A 95 10.853 1.313 -4.807 1.00 24.34 C ATOM 1404 C VAL A 95 12.144 1.916 -4.262 1.00 40.43 C ATOM 1405 O VAL A 95 12.739 2.795 -4.883 1.00 54.33 O ATOM 1406 CB VAL A 95 10.998 -0.219 -4.857 1.00 21.14 C ATOM 1407 CG1 VAL A 95 9.675 -0.869 -5.231 1.00 54.24 C ATOM 1408 CG2 VAL A 95 12.093 -0.620 -5.834 1.00 51.44 C ATOM 0 H VAL A 95 10.684 1.212 -6.895 1.00 42.54 H new ATOM 0 HA VAL A 95 10.027 1.572 -4.145 1.00 24.34 H new ATOM 0 HB VAL A 95 11.281 -0.571 -3.865 1.00 21.14 H new ATOM 0 HG11 VAL A 95 9.797 -1.952 -5.261 1.00 54.24 H new ATOM 0 HG12 VAL A 95 8.920 -0.610 -4.489 1.00 54.24 H new ATOM 0 HG13 VAL A 95 9.358 -0.512 -6.211 1.00 54.24 H new ATOM 0 HG21 VAL A 95 12.181 -1.706 -5.856 1.00 51.44 H new ATOM 0 HG22 VAL A 95 11.843 -0.256 -6.830 1.00 51.44 H new ATOM 0 HG23 VAL A 95 13.041 -0.185 -5.517 1.00 51.44 H new ATOM 1418 N GLU A 96 12.569 1.436 -3.098 1.00 2.23 N ATOM 1419 CA GLU A 96 13.789 1.929 -2.469 1.00 40.21 C ATOM 1420 C GLU A 96 15.021 1.267 -3.081 1.00 45.41 C ATOM 1421 O GLU A 96 15.233 0.065 -2.930 1.00 32.00 O ATOM 1422 CB GLU A 96 13.752 1.671 -0.961 1.00 33.34 C ATOM 1423 CG GLU A 96 15.053 2.014 -0.254 1.00 11.01 C ATOM 1424 CD GLU A 96 14.865 3.044 0.844 1.00 31.12 C ATOM 1425 OE1 GLU A 96 14.605 4.220 0.517 1.00 1.22 O ATOM 1426 OE2 GLU A 96 14.978 2.671 2.031 1.00 41.51 O ATOM 0 H GLU A 96 12.087 0.707 -2.572 1.00 2.23 H new ATOM 0 HA GLU A 96 13.850 3.003 -2.644 1.00 40.21 H new ATOM 0 HB2 GLU A 96 12.944 2.255 -0.520 1.00 33.34 H new ATOM 0 HB3 GLU A 96 13.519 0.621 -0.786 1.00 33.34 H new ATOM 0 HG2 GLU A 96 15.481 1.107 0.173 1.00 11.01 H new ATOM 0 HG3 GLU A 96 15.770 2.392 -0.983 1.00 11.01 H new ATOM 1433 N CYS A 97 15.832 2.064 -3.769 1.00 41.34 N ATOM 1434 CA CYS A 97 17.042 1.558 -4.404 1.00 63.25 C ATOM 1435 C CYS A 97 18.118 2.640 -4.464 1.00 74.53 C ATOM 1436 O CYS A 97 17.816 3.817 -4.659 1.00 43.24 O ATOM 1437 CB CYS A 97 16.731 1.054 -5.815 1.00 53.24 C ATOM 1438 SG CYS A 97 16.282 -0.708 -5.891 1.00 32.53 S ATOM 0 H CYS A 97 15.673 3.063 -3.901 1.00 41.34 H new ATOM 0 HA CYS A 97 17.417 0.729 -3.804 1.00 63.25 H new ATOM 0 HB2 CYS A 97 15.913 1.645 -6.228 1.00 53.24 H new ATOM 0 HB3 CYS A 97 17.600 1.224 -6.450 1.00 53.24 H new ATOM 1444 N GLN A 98 19.371 2.231 -4.296 1.00 35.04 N ATOM 1445 CA GLN A 98 20.490 3.163 -4.331 1.00 64.12 C ATOM 1446 C GLN A 98 20.977 3.379 -5.760 1.00 42.52 C ATOM 1447 O GLN A 98 20.810 2.513 -6.618 1.00 42.13 O ATOM 1448 CB GLN A 98 21.639 2.649 -3.461 1.00 13.10 C ATOM 1449 CG GLN A 98 21.466 2.954 -1.982 1.00 1.15 C ATOM 1450 CD GLN A 98 22.302 2.048 -1.099 1.00 14.44 C ATOM 1451 OE1 GLN A 98 23.081 2.517 -0.268 1.00 41.12 O ATOM 1452 NE2 GLN A 98 22.142 0.740 -1.272 1.00 60.11 N ATOM 0 H GLN A 98 19.636 1.259 -4.134 1.00 35.04 H new ATOM 0 HA GLN A 98 20.144 4.118 -3.937 1.00 64.12 H new ATOM 0 HB2 GLN A 98 21.729 1.571 -3.593 1.00 13.10 H new ATOM 0 HB3 GLN A 98 22.573 3.092 -3.808 1.00 13.10 H new ATOM 0 HG2 GLN A 98 21.740 3.992 -1.794 1.00 1.15 H new ATOM 0 HG3 GLN A 98 20.415 2.848 -1.713 1.00 1.15 H new ATOM 0 HE21 GLN A 98 21.486 0.395 -1.972 1.00 60.11 H new ATOM 0 HE22 GLN A 98 22.676 0.081 -0.705 1.00 60.11 H new ATOM 1461 N GLN A 99 21.575 4.539 -6.008 1.00 62.31 N ATOM 1462 CA GLN A 99 22.084 4.868 -7.335 1.00 43.33 C ATOM 1463 C GLN A 99 22.982 3.755 -7.864 1.00 1.31 C ATOM 1464 O GLN A 99 22.950 3.428 -9.051 1.00 71.02 O ATOM 1465 CB GLN A 99 22.855 6.188 -7.296 1.00 31.31 C ATOM 1466 CG GLN A 99 23.226 6.717 -8.671 1.00 61.54 C ATOM 1467 CD GLN A 99 22.154 7.613 -9.261 1.00 23.44 C ATOM 1468 OE1 GLN A 99 21.028 7.178 -9.499 1.00 50.20 O ATOM 1469 NE2 GLN A 99 22.502 8.872 -9.499 1.00 73.31 N ATOM 0 H GLN A 99 21.719 5.267 -5.308 1.00 62.31 H new ATOM 0 HA GLN A 99 21.233 4.973 -8.008 1.00 43.33 H new ATOM 0 HB2 GLN A 99 22.253 6.935 -6.779 1.00 31.31 H new ATOM 0 HB3 GLN A 99 23.765 6.051 -6.711 1.00 31.31 H new ATOM 0 HG2 GLN A 99 24.161 7.273 -8.602 1.00 61.54 H new ATOM 0 HG3 GLN A 99 23.403 5.878 -9.343 1.00 61.54 H new ATOM 0 HE21 GLN A 99 23.448 9.189 -9.286 1.00 73.31 H new ATOM 0 HE22 GLN A 99 21.824 9.522 -9.895 1.00 73.31 H new ATOM 1478 N THR A 100 23.783 3.176 -6.976 1.00 64.20 N ATOM 1479 CA THR A 100 24.693 2.100 -7.354 1.00 22.30 C ATOM 1480 C THR A 100 24.600 0.933 -6.379 1.00 11.12 C ATOM 1481 O THR A 100 24.331 1.122 -5.193 1.00 41.23 O ATOM 1482 CB THR A 100 26.151 2.592 -7.410 1.00 20.41 C ATOM 1483 OG1 THR A 100 26.186 3.994 -7.699 1.00 70.14 O ATOM 1484 CG2 THR A 100 26.938 1.832 -8.469 1.00 12.14 C ATOM 0 H THR A 100 23.821 3.433 -5.990 1.00 64.20 H new ATOM 0 HA THR A 100 24.391 1.765 -8.346 1.00 22.30 H new ATOM 0 HB THR A 100 26.609 2.411 -6.438 1.00 20.41 H new ATOM 0 HG1 THR A 100 27.117 4.298 -7.731 1.00 70.14 H new ATOM 0 HG21 THR A 100 27.965 2.197 -8.490 1.00 12.14 H new ATOM 0 HG22 THR A 100 26.935 0.768 -8.231 1.00 12.14 H new ATOM 0 HG23 THR A 100 26.478 1.986 -9.445 1.00 12.14 H new ATOM 1492 N VAL A 101 24.821 -0.275 -6.887 1.00 22.10 N ATOM 1493 CA VAL A 101 24.764 -1.474 -6.060 1.00 1.45 C ATOM 1494 C VAL A 101 25.732 -2.538 -6.564 1.00 63.44 C ATOM 1495 O VAL A 101 25.969 -2.658 -7.766 1.00 52.25 O ATOM 1496 CB VAL A 101 23.342 -2.066 -6.026 1.00 45.42 C ATOM 1497 CG1 VAL A 101 22.336 -1.012 -5.590 1.00 55.11 C ATOM 1498 CG2 VAL A 101 22.972 -2.639 -7.386 1.00 61.34 C ATOM 0 H VAL A 101 25.041 -0.449 -7.868 1.00 22.10 H new ATOM 0 HA VAL A 101 25.050 -1.175 -5.052 1.00 1.45 H new ATOM 0 HB VAL A 101 23.321 -2.877 -5.298 1.00 45.42 H new ATOM 0 HG11 VAL A 101 21.337 -1.448 -5.572 1.00 55.11 H new ATOM 0 HG12 VAL A 101 22.594 -0.653 -4.593 1.00 55.11 H new ATOM 0 HG13 VAL A 101 22.355 -0.178 -6.292 1.00 55.11 H new ATOM 0 HG21 VAL A 101 21.965 -3.053 -7.344 1.00 61.34 H new ATOM 0 HG22 VAL A 101 23.009 -1.849 -8.136 1.00 61.34 H new ATOM 0 HG23 VAL A 101 23.677 -3.426 -7.653 1.00 61.34 H new ATOM 1508 N SER A 102 26.293 -3.309 -5.638 1.00 12.31 N ATOM 1509 CA SER A 102 27.239 -4.361 -5.988 1.00 50.11 C ATOM 1510 C SER A 102 26.527 -5.700 -6.151 1.00 62.21 C ATOM 1511 O SER A 102 25.428 -5.899 -5.634 1.00 71.21 O ATOM 1512 CB SER A 102 28.326 -4.476 -4.917 1.00 21.22 C ATOM 1513 OG SER A 102 27.761 -4.508 -3.618 1.00 52.52 O ATOM 0 H SER A 102 26.108 -3.224 -4.638 1.00 12.31 H new ATOM 0 HA SER A 102 27.702 -4.097 -6.939 1.00 50.11 H new ATOM 0 HB2 SER A 102 28.912 -5.380 -5.085 1.00 21.22 H new ATOM 0 HB3 SER A 102 29.011 -3.632 -4.998 1.00 21.22 H new ATOM 0 HG SER A 102 28.476 -4.583 -2.952 1.00 52.52 H new ATOM 1519 N VAL A 103 27.162 -6.616 -6.875 1.00 61.41 N ATOM 1520 CA VAL A 103 26.590 -7.937 -7.108 1.00 22.43 C ATOM 1521 C VAL A 103 27.626 -9.032 -6.870 1.00 13.53 C ATOM 1522 O VAL A 103 28.823 -8.761 -6.780 1.00 33.13 O ATOM 1523 CB VAL A 103 26.042 -8.067 -8.541 1.00 11.12 C ATOM 1524 CG1 VAL A 103 25.144 -6.887 -8.878 1.00 3.14 C ATOM 1525 CG2 VAL A 103 27.183 -8.182 -9.539 1.00 72.03 C ATOM 0 H VAL A 103 28.072 -6.468 -7.310 1.00 61.41 H new ATOM 0 HA VAL A 103 25.768 -8.056 -6.402 1.00 22.43 H new ATOM 0 HB VAL A 103 25.444 -8.976 -8.602 1.00 11.12 H new ATOM 0 HG11 VAL A 103 24.766 -6.996 -9.895 1.00 3.14 H new ATOM 0 HG12 VAL A 103 24.307 -6.856 -8.181 1.00 3.14 H new ATOM 0 HG13 VAL A 103 25.715 -5.962 -8.801 1.00 3.14 H new ATOM 0 HG21 VAL A 103 26.777 -8.273 -10.547 1.00 72.03 H new ATOM 0 HG22 VAL A 103 27.810 -7.292 -9.479 1.00 72.03 H new ATOM 0 HG23 VAL A 103 27.781 -9.063 -9.308 1.00 72.03 H new ATOM 1535 N THR A 104 27.155 -10.271 -6.770 1.00 11.12 N ATOM 1536 CA THR A 104 28.039 -11.409 -6.542 1.00 75.11 C ATOM 1537 C THR A 104 27.625 -12.605 -7.391 1.00 55.14 C ATOM 1538 O THR A 104 26.448 -12.774 -7.713 1.00 14.15 O ATOM 1539 CB THR A 104 28.048 -11.825 -5.060 1.00 14.14 C ATOM 1540 OG1 THR A 104 27.845 -10.678 -4.227 1.00 52.13 O ATOM 1541 CG2 THR A 104 29.362 -12.497 -4.694 1.00 11.15 C ATOM 0 H THR A 104 26.167 -10.513 -6.843 1.00 11.12 H new ATOM 0 HA THR A 104 29.042 -11.093 -6.829 1.00 75.11 H new ATOM 0 HB THR A 104 27.238 -12.537 -4.901 1.00 14.14 H new ATOM 0 HG1 THR A 104 27.851 -10.952 -3.286 1.00 52.13 H new ATOM 0 HG21 THR A 104 29.344 -12.782 -3.642 1.00 11.15 H new ATOM 0 HG22 THR A 104 29.499 -13.387 -5.309 1.00 11.15 H new ATOM 0 HG23 THR A 104 30.186 -11.805 -4.869 1.00 11.15 H new ATOM 1549 N LYS A 105 28.598 -13.433 -7.754 1.00 44.32 N ATOM 1550 CA LYS A 105 28.336 -14.616 -8.565 1.00 3.44 C ATOM 1551 C LYS A 105 29.317 -15.734 -8.227 1.00 52.10 C ATOM 1552 O LYS A 105 30.503 -15.504 -7.994 1.00 61.55 O ATOM 1553 CB LYS A 105 28.430 -14.270 -10.052 1.00 3.04 C ATOM 1554 CG LYS A 105 27.197 -14.664 -10.847 1.00 45.44 C ATOM 1555 CD LYS A 105 27.543 -15.619 -11.977 1.00 1.00 C ATOM 1556 CE LYS A 105 26.751 -15.303 -13.236 1.00 44.02 C ATOM 1557 NZ LYS A 105 26.755 -16.444 -14.194 1.00 11.02 N ATOM 0 H LYS A 105 29.577 -13.306 -7.499 1.00 44.32 H new ATOM 0 HA LYS A 105 27.327 -14.964 -8.343 1.00 3.44 H new ATOM 0 HB2 LYS A 105 28.593 -13.197 -10.157 1.00 3.04 H new ATOM 0 HB3 LYS A 105 29.301 -14.768 -10.478 1.00 3.04 H new ATOM 0 HG2 LYS A 105 26.470 -15.132 -10.184 1.00 45.44 H new ATOM 0 HG3 LYS A 105 26.726 -13.770 -11.256 1.00 45.44 H new ATOM 0 HD2 LYS A 105 28.610 -15.558 -12.192 1.00 1.00 H new ATOM 0 HD3 LYS A 105 27.339 -16.643 -11.665 1.00 1.00 H new ATOM 0 HE2 LYS A 105 25.724 -15.058 -12.967 1.00 44.02 H new ATOM 0 HE3 LYS A 105 27.173 -14.422 -13.719 1.00 44.02 H new ATOM 0 HZ1 LYS A 105 26.205 -16.190 -15.039 1.00 11.02 H new ATOM 0 HZ2 LYS A 105 27.734 -16.662 -14.471 1.00 11.02 H new ATOM 0 HZ3 LYS A 105 26.329 -17.278 -13.742 1.00 11.02 H new ATOM 1571 N PRO A 106 28.812 -16.978 -8.203 1.00 64.41 N ATOM 1572 CA PRO A 106 29.628 -18.157 -7.899 1.00 4.20 C ATOM 1573 C PRO A 106 30.622 -18.476 -9.010 1.00 72.52 C ATOM 1574 O PRO A 106 30.433 -19.424 -9.773 1.00 3.51 O ATOM 1575 CB PRO A 106 28.595 -19.279 -7.767 1.00 72.42 C ATOM 1576 CG PRO A 106 27.438 -18.826 -8.589 1.00 43.23 C ATOM 1577 CD PRO A 106 27.408 -17.327 -8.472 1.00 1.20 C ATOM 0 HA PRO A 106 30.237 -18.012 -7.006 1.00 4.20 H new ATOM 0 HB2 PRO A 106 28.992 -20.227 -8.130 1.00 72.42 H new ATOM 0 HB3 PRO A 106 28.306 -19.431 -6.727 1.00 72.42 H new ATOM 0 HG2 PRO A 106 27.553 -19.134 -9.628 1.00 43.23 H new ATOM 0 HG3 PRO A 106 26.508 -19.264 -8.228 1.00 43.23 H new ATOM 0 HD2 PRO A 106 27.046 -16.860 -9.388 1.00 1.20 H new ATOM 0 HD3 PRO A 106 26.751 -17.000 -7.666 1.00 1.20 H new ATOM 1585 N CYS A 107 31.683 -17.681 -9.095 1.00 65.54 N ATOM 1586 CA CYS A 107 32.709 -17.878 -10.113 1.00 3.44 C ATOM 1587 C CYS A 107 34.072 -18.116 -9.472 1.00 35.34 C ATOM 1588 O CYS A 107 34.399 -17.526 -8.442 1.00 70.23 O ATOM 1589 CB CYS A 107 32.775 -16.665 -11.044 1.00 45.42 C ATOM 1590 SG CYS A 107 34.086 -16.764 -12.302 1.00 61.22 S ATOM 0 H CYS A 107 31.855 -16.893 -8.471 1.00 65.54 H new ATOM 0 HA CYS A 107 32.442 -18.760 -10.696 1.00 3.44 H new ATOM 0 HB2 CYS A 107 31.813 -16.552 -11.545 1.00 45.42 H new ATOM 0 HB3 CYS A 107 32.929 -15.768 -10.444 1.00 45.42 H new ATOM 1596 N THR A 108 34.866 -18.986 -10.089 1.00 43.35 N ATOM 1597 CA THR A 108 36.194 -19.303 -9.579 1.00 31.23 C ATOM 1598 C THR A 108 37.214 -19.375 -10.709 1.00 71.34 C ATOM 1599 O THR A 108 36.900 -19.809 -11.818 1.00 43.31 O ATOM 1600 CB THR A 108 36.198 -20.641 -8.814 1.00 74.44 C ATOM 1601 OG1 THR A 108 37.545 -21.061 -8.569 1.00 3.41 O ATOM 1602 CG2 THR A 108 35.461 -21.715 -9.601 1.00 21.44 C ATOM 0 H THR A 108 34.612 -19.483 -10.943 1.00 43.35 H new ATOM 0 HA THR A 108 36.469 -18.500 -8.895 1.00 31.23 H new ATOM 0 HB THR A 108 35.686 -20.493 -7.863 1.00 74.44 H new ATOM 0 HG1 THR A 108 37.539 -21.911 -8.081 1.00 3.41 H new ATOM 0 HG21 THR A 108 35.476 -22.651 -9.042 1.00 21.44 H new ATOM 0 HG22 THR A 108 34.428 -21.405 -9.761 1.00 21.44 H new ATOM 0 HG23 THR A 108 35.950 -21.860 -10.565 1.00 21.44 H new ATOM 1610 N THR A 109 38.440 -18.946 -10.423 1.00 4.33 N ATOM 1611 CA THR A 109 39.506 -18.961 -11.416 1.00 4.22 C ATOM 1612 C THR A 109 40.829 -18.511 -10.807 1.00 24.53 C ATOM 1613 O THR A 109 40.859 -17.658 -9.919 1.00 1.32 O ATOM 1614 CB THR A 109 39.171 -18.055 -12.614 1.00 20.41 C ATOM 1615 OG1 THR A 109 40.092 -18.298 -13.683 1.00 74.23 O ATOM 1616 CG2 THR A 109 39.225 -16.588 -12.215 1.00 70.51 C ATOM 0 H THR A 109 38.718 -18.584 -9.511 1.00 4.33 H new ATOM 0 HA THR A 109 39.600 -19.990 -11.764 1.00 4.22 H new ATOM 0 HB THR A 109 38.159 -18.287 -12.946 1.00 20.41 H new ATOM 0 HG1 THR A 109 39.872 -17.719 -14.443 1.00 74.23 H new ATOM 0 HG21 THR A 109 38.985 -15.967 -13.078 1.00 70.51 H new ATOM 0 HG22 THR A 109 38.503 -16.400 -11.421 1.00 70.51 H new ATOM 0 HG23 THR A 109 40.226 -16.344 -11.860 1.00 70.51 H new