USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 497 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 Single : A 23 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 73 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.8!) USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.82 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 162:sc= 0 (180deg=-0.51) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 90:sc= 1.28 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 1.811 -4.833 20.563 1.00 74.40 N ATOM 216 CA ILE A 14 1.366 -4.391 21.879 1.00 72.33 C ATOM 217 C ILE A 14 -0.052 -3.832 21.821 1.00 63.14 C ATOM 218 O ILE A 14 -0.945 -4.303 22.526 1.00 43.32 O ATOM 219 CB ILE A 14 2.306 -3.318 22.459 1.00 35.25 C ATOM 220 CG1 ILE A 14 3.700 -3.903 22.693 1.00 0.23 C ATOM 221 CG2 ILE A 14 1.735 -2.760 23.755 1.00 44.33 C ATOM 222 CD1 ILE A 14 3.743 -4.941 23.792 1.00 23.42 C ATOM 0 HA ILE A 14 1.382 -5.266 22.529 1.00 72.33 H new ATOM 0 HB ILE A 14 2.391 -2.503 21.741 1.00 35.25 H new ATOM 0 HG12 ILE A 14 4.057 -4.352 21.766 1.00 0.23 H new ATOM 0 HG13 ILE A 14 4.388 -3.094 22.941 1.00 0.23 H new ATOM 0 HG21 ILE A 14 2.410 -2.003 24.154 1.00 44.33 H new ATOM 0 HG22 ILE A 14 0.761 -2.311 23.560 1.00 44.33 H new ATOM 0 HG23 ILE A 14 1.625 -3.566 24.481 1.00 44.33 H new ATOM 0 HD11 ILE A 14 4.762 -5.312 23.902 1.00 23.42 H new ATOM 0 HD12 ILE A 14 3.417 -4.492 24.730 1.00 23.42 H new ATOM 0 HD13 ILE A 14 3.081 -5.769 23.537 1.00 23.42 H new ATOM 234 N ILE A 15 -0.251 -2.827 20.975 1.00 50.12 N ATOM 235 CA ILE A 15 -1.561 -2.206 20.822 1.00 2.34 C ATOM 236 C ILE A 15 -2.639 -3.253 20.564 1.00 40.43 C ATOM 237 O ILE A 15 -3.783 -3.099 20.990 1.00 62.31 O ATOM 238 CB ILE A 15 -1.568 -1.182 19.671 1.00 30.44 C ATOM 239 CG1 ILE A 15 -0.415 -0.190 19.835 1.00 13.33 C ATOM 240 CG2 ILE A 15 -2.901 -0.451 19.621 1.00 11.15 C ATOM 241 CD1 ILE A 15 -0.355 0.446 21.207 1.00 73.42 C ATOM 0 H ILE A 15 0.478 -2.425 20.385 1.00 50.12 H new ATOM 0 HA ILE A 15 -1.777 -1.690 21.757 1.00 2.34 H new ATOM 0 HB ILE A 15 -1.433 -1.714 18.729 1.00 30.44 H new ATOM 0 HG12 ILE A 15 0.526 -0.704 19.640 1.00 13.33 H new ATOM 0 HG13 ILE A 15 -0.511 0.594 19.084 1.00 13.33 H new ATOM 0 HG21 ILE A 15 -2.891 0.269 18.803 1.00 11.15 H new ATOM 0 HG22 ILE A 15 -3.705 -1.170 19.461 1.00 11.15 H new ATOM 0 HG23 ILE A 15 -3.064 0.073 20.563 1.00 11.15 H new ATOM 0 HD11 ILE A 15 0.486 1.137 21.251 1.00 73.42 H new ATOM 0 HD12 ILE A 15 -1.281 0.989 21.397 1.00 73.42 H new ATOM 0 HD13 ILE A 15 -0.227 -0.329 21.962 1.00 73.42 H new ATOM 253 N GLY A 16 -2.265 -4.319 19.863 1.00 20.12 N ATOM 254 CA GLY A 16 -3.211 -5.377 19.561 1.00 30.31 C ATOM 255 C GLY A 16 -3.777 -6.023 20.810 1.00 15.52 C ATOM 256 O GLY A 16 -4.964 -6.349 20.866 1.00 62.51 O ATOM 0 H GLY A 16 -1.324 -4.469 19.499 1.00 20.12 H new ATOM 0 HA2 GLY A 16 -4.027 -4.971 18.964 1.00 30.31 H new ATOM 0 HA3 GLY A 16 -2.720 -6.137 18.953 1.00 30.31 H new ATOM 260 N LEU A 17 -2.929 -6.208 21.815 1.00 23.30 N ATOM 261 CA LEU A 17 -3.351 -6.821 23.070 1.00 42.21 C ATOM 262 C LEU A 17 -4.062 -5.806 23.959 1.00 2.22 C ATOM 263 O LEU A 17 -5.094 -6.106 24.560 1.00 43.13 O ATOM 264 CB LEU A 17 -2.144 -7.405 23.807 1.00 50.53 C ATOM 265 CG LEU A 17 -1.066 -8.043 22.930 1.00 54.25 C ATOM 266 CD1 LEU A 17 0.023 -8.664 23.790 1.00 43.34 C ATOM 267 CD2 LEU A 17 -1.679 -9.086 22.006 1.00 10.13 C ATOM 0 H LEU A 17 -1.945 -5.942 21.786 1.00 23.30 H new ATOM 0 HA LEU A 17 -4.049 -7.625 22.837 1.00 42.21 H new ATOM 0 HB2 LEU A 17 -1.683 -6.611 24.394 1.00 50.53 H new ATOM 0 HB3 LEU A 17 -2.502 -8.156 24.512 1.00 50.53 H new ATOM 0 HG LEU A 17 -0.615 -7.263 22.316 1.00 54.25 H new ATOM 0 HD11 LEU A 17 0.781 -9.113 23.149 1.00 43.34 H new ATOM 0 HD12 LEU A 17 0.482 -7.893 24.409 1.00 43.34 H new ATOM 0 HD13 LEU A 17 -0.412 -9.432 24.430 1.00 43.34 H new ATOM 0 HD21 LEU A 17 -0.898 -9.530 21.389 1.00 10.13 H new ATOM 0 HD22 LEU A 17 -2.157 -9.864 22.602 1.00 10.13 H new ATOM 0 HD23 LEU A 17 -2.422 -8.612 21.365 1.00 10.13 H new ATOM 279 N VAL A 18 -3.504 -4.602 24.037 1.00 1.23 N ATOM 280 CA VAL A 18 -4.086 -3.541 24.850 1.00 11.33 C ATOM 281 C VAL A 18 -5.419 -3.075 24.274 1.00 23.43 C ATOM 282 O VAL A 18 -6.240 -2.488 24.978 1.00 14.10 O ATOM 283 CB VAL A 18 -3.137 -2.333 24.960 1.00 41.42 C ATOM 284 CG1 VAL A 18 -1.694 -2.797 25.092 1.00 15.11 C ATOM 285 CG2 VAL A 18 -3.302 -1.415 23.758 1.00 72.02 C ATOM 0 H VAL A 18 -2.650 -4.337 23.547 1.00 1.23 H new ATOM 0 HA VAL A 18 -4.249 -3.958 25.844 1.00 11.33 H new ATOM 0 HB VAL A 18 -3.396 -1.770 25.857 1.00 41.42 H new ATOM 0 HG11 VAL A 18 -1.038 -1.930 25.168 1.00 15.11 H new ATOM 0 HG12 VAL A 18 -1.590 -3.411 25.987 1.00 15.11 H new ATOM 0 HG13 VAL A 18 -1.419 -3.384 24.215 1.00 15.11 H new ATOM 0 HG21 VAL A 18 -2.624 -0.567 23.852 1.00 72.02 H new ATOM 0 HG22 VAL A 18 -3.071 -1.965 22.846 1.00 72.02 H new ATOM 0 HG23 VAL A 18 -4.330 -1.055 23.714 1.00 72.02 H new ATOM 295 N VAL A 19 -5.627 -3.343 22.989 1.00 52.51 N ATOM 296 CA VAL A 19 -6.861 -2.953 22.317 1.00 14.25 C ATOM 297 C VAL A 19 -7.846 -4.115 22.259 1.00 62.52 C ATOM 298 O VAL A 19 -8.940 -4.046 22.819 1.00 13.44 O ATOM 299 CB VAL A 19 -6.588 -2.453 20.886 1.00 31.24 C ATOM 300 CG1 VAL A 19 -7.889 -2.316 20.111 1.00 54.11 C ATOM 301 CG2 VAL A 19 -5.835 -1.132 20.919 1.00 51.24 C ATOM 0 H VAL A 19 -4.957 -3.829 22.392 1.00 52.51 H new ATOM 0 HA VAL A 19 -7.296 -2.141 22.900 1.00 14.25 H new ATOM 0 HB VAL A 19 -5.965 -3.187 20.375 1.00 31.24 H new ATOM 0 HG11 VAL A 19 -7.676 -1.962 19.102 1.00 54.11 H new ATOM 0 HG12 VAL A 19 -8.385 -3.285 20.058 1.00 54.11 H new ATOM 0 HG13 VAL A 19 -8.540 -1.603 20.616 1.00 54.11 H new ATOM 0 HG21 VAL A 19 -5.650 -0.793 19.900 1.00 51.24 H new ATOM 0 HG22 VAL A 19 -6.430 -0.387 21.447 1.00 51.24 H new ATOM 0 HG23 VAL A 19 -4.884 -1.268 21.434 1.00 51.24 H new ATOM 311 N LEU A 20 -7.450 -5.185 21.577 1.00 2.40 N ATOM 312 CA LEU A 20 -8.297 -6.365 21.445 1.00 52.20 C ATOM 313 C LEU A 20 -8.471 -7.064 22.790 1.00 44.25 C ATOM 314 O LEU A 20 -9.331 -7.930 22.944 1.00 3.32 O ATOM 315 CB LEU A 20 -7.698 -7.336 20.426 1.00 1.31 C ATOM 316 CG LEU A 20 -8.661 -8.365 19.833 1.00 43.34 C ATOM 317 CD1 LEU A 20 -10.006 -7.724 19.528 1.00 44.44 C ATOM 318 CD2 LEU A 20 -8.068 -8.988 18.577 1.00 1.13 C ATOM 0 H LEU A 20 -6.548 -5.259 21.107 1.00 2.40 H new ATOM 0 HA LEU A 20 -9.277 -6.041 21.096 1.00 52.20 H new ATOM 0 HB2 LEU A 20 -7.270 -6.755 19.609 1.00 1.31 H new ATOM 0 HB3 LEU A 20 -6.876 -7.870 20.903 1.00 1.31 H new ATOM 0 HG LEU A 20 -8.817 -9.155 20.568 1.00 43.34 H new ATOM 0 HD11 LEU A 20 -10.678 -8.472 19.107 1.00 44.44 H new ATOM 0 HD12 LEU A 20 -10.436 -7.326 20.447 1.00 44.44 H new ATOM 0 HD13 LEU A 20 -9.869 -6.914 18.811 1.00 44.44 H new ATOM 0 HD21 LEU A 20 -8.767 -9.718 18.168 1.00 1.13 H new ATOM 0 HD22 LEU A 20 -7.883 -8.209 17.837 1.00 1.13 H new ATOM 0 HD23 LEU A 20 -7.129 -9.484 18.825 1.00 1.13 H new ATOM 330 N GLY A 21 -7.648 -6.680 23.761 1.00 11.31 N ATOM 331 CA GLY A 21 -7.728 -7.278 25.081 1.00 73.22 C ATOM 332 C GLY A 21 -7.091 -8.653 25.134 1.00 50.52 C ATOM 333 O GLY A 21 -7.379 -9.526 24.315 1.00 42.30 O ATOM 0 H GLY A 21 -6.927 -5.966 23.657 1.00 11.31 H new ATOM 0 HA2 GLY A 21 -7.237 -6.625 25.803 1.00 73.22 H new ATOM 0 HA3 GLY A 21 -8.774 -7.354 25.380 1.00 73.22 H new ATOM 337 N PRO A 22 -6.201 -8.859 26.116 1.00 33.00 N ATOM 338 CA PRO A 22 -5.502 -10.135 26.295 1.00 10.14 C ATOM 339 C PRO A 22 -6.433 -11.244 26.772 1.00 32.23 C ATOM 340 O PRO A 22 -5.983 -12.328 27.143 1.00 4.42 O ATOM 341 CB PRO A 22 -4.455 -9.818 27.366 1.00 32.13 C ATOM 342 CG PRO A 22 -5.025 -8.669 28.125 1.00 62.51 C ATOM 343 CD PRO A 22 -5.810 -7.863 27.128 1.00 62.14 C ATOM 0 HA PRO A 22 -5.078 -10.502 25.360 1.00 10.14 H new ATOM 0 HB2 PRO A 22 -4.282 -10.675 28.016 1.00 32.13 H new ATOM 0 HB3 PRO A 22 -3.496 -9.559 26.918 1.00 32.13 H new ATOM 0 HG2 PRO A 22 -5.665 -9.016 28.936 1.00 62.51 H new ATOM 0 HG3 PRO A 22 -4.235 -8.069 28.576 1.00 62.51 H new ATOM 0 HD2 PRO A 22 -6.680 -7.393 27.587 1.00 62.14 H new ATOM 0 HD3 PRO A 22 -5.208 -7.064 26.694 1.00 62.14 H new ATOM 351 N GLN A 23 -7.733 -10.966 26.759 1.00 22.13 N ATOM 352 CA GLN A 23 -8.727 -11.942 27.191 1.00 3.32 C ATOM 353 C GLN A 23 -8.845 -13.080 26.184 1.00 73.44 C ATOM 354 O GLN A 23 -9.002 -14.242 26.561 1.00 52.14 O ATOM 355 CB GLN A 23 -10.087 -11.267 27.379 1.00 43.04 C ATOM 356 CG GLN A 23 -10.593 -10.563 26.130 1.00 15.44 C ATOM 357 CD GLN A 23 -11.310 -9.264 26.444 1.00 51.15 C ATOM 358 OE1 GLN A 23 -11.683 -9.008 27.589 1.00 50.33 O ATOM 359 NE2 GLN A 23 -11.507 -8.435 25.425 1.00 62.44 N ATOM 0 H GLN A 23 -8.122 -10.074 26.454 1.00 22.13 H new ATOM 0 HA GLN A 23 -8.401 -12.358 28.144 1.00 3.32 H new ATOM 0 HB2 GLN A 23 -10.817 -12.017 27.684 1.00 43.04 H new ATOM 0 HB3 GLN A 23 -10.015 -10.543 28.191 1.00 43.04 H new ATOM 0 HG2 GLN A 23 -9.753 -10.359 25.467 1.00 15.44 H new ATOM 0 HG3 GLN A 23 -11.270 -11.227 25.592 1.00 15.44 H new ATOM 0 HE21 GLN A 23 -11.181 -8.687 24.492 1.00 62.44 H new ATOM 0 HE22 GLN A 23 -11.984 -7.546 25.576 1.00 62.44 H new ATOM 368 N ARG A 24 -8.770 -12.740 24.901 1.00 3.43 N ATOM 369 CA ARG A 24 -8.870 -13.734 23.839 1.00 13.54 C ATOM 370 C ARG A 24 -7.772 -13.531 22.800 1.00 71.15 C ATOM 371 O ARG A 24 -8.003 -13.685 21.599 1.00 24.14 O ATOM 372 CB ARG A 24 -10.243 -13.657 23.169 1.00 60.14 C ATOM 373 CG ARG A 24 -10.703 -12.237 22.884 1.00 55.12 C ATOM 374 CD ARG A 24 -9.958 -11.636 21.703 1.00 44.41 C ATOM 375 NE ARG A 24 -8.760 -10.913 22.122 1.00 1.15 N ATOM 376 CZ ARG A 24 -7.654 -10.835 21.390 1.00 14.31 C ATOM 377 NH1 ARG A 24 -7.595 -11.431 20.208 1.00 71.25 N ATOM 378 NH2 ARG A 24 -6.605 -10.158 21.840 1.00 34.23 N ATOM 0 H ARG A 24 -8.640 -11.783 24.572 1.00 3.43 H new ATOM 0 HA ARG A 24 -8.746 -14.721 24.285 1.00 13.54 H new ATOM 0 HB2 ARG A 24 -10.213 -14.215 22.233 1.00 60.14 H new ATOM 0 HB3 ARG A 24 -10.978 -14.146 23.808 1.00 60.14 H new ATOM 0 HG2 ARG A 24 -11.774 -12.235 22.679 1.00 55.12 H new ATOM 0 HG3 ARG A 24 -10.546 -11.618 23.768 1.00 55.12 H new ATOM 0 HD2 ARG A 24 -9.679 -12.429 21.009 1.00 44.41 H new ATOM 0 HD3 ARG A 24 -10.620 -10.959 21.163 1.00 44.41 H new ATOM 0 HE ARG A 24 -8.773 -10.442 23.027 1.00 1.15 H new ATOM 0 HH11 ARG A 24 -8.400 -11.951 19.858 1.00 71.25 H new ATOM 0 HH12 ARG A 24 -6.745 -11.370 19.648 1.00 71.25 H new ATOM 0 HH21 ARG A 24 -6.647 -9.697 22.749 1.00 34.23 H new ATOM 0 HH22 ARG A 24 -5.756 -10.099 21.277 1.00 34.23 H new ATOM 392 N LEU A 25 -6.578 -13.185 23.268 1.00 51.24 N ATOM 393 CA LEU A 25 -5.443 -12.961 22.379 1.00 54.45 C ATOM 394 C LEU A 25 -4.996 -14.265 21.727 1.00 72.13 C ATOM 395 O LEU A 25 -4.877 -14.369 20.506 1.00 52.43 O ATOM 396 CB LEU A 25 -4.279 -12.338 23.152 1.00 74.41 C ATOM 397 CG LEU A 25 -2.968 -12.184 22.381 1.00 2.13 C ATOM 398 CD1 LEU A 25 -2.125 -13.443 22.505 1.00 64.51 C ATOM 399 CD2 LEU A 25 -3.243 -11.865 20.919 1.00 62.41 C ATOM 0 H LEU A 25 -6.370 -13.053 24.258 1.00 51.24 H new ATOM 0 HA LEU A 25 -5.758 -12.274 21.594 1.00 54.45 H new ATOM 0 HB2 LEU A 25 -4.588 -11.354 23.504 1.00 74.41 H new ATOM 0 HB3 LEU A 25 -4.088 -12.947 24.036 1.00 74.41 H new ATOM 0 HG LEU A 25 -2.410 -11.354 22.814 1.00 2.13 H new ATOM 0 HD11 LEU A 25 -1.196 -13.315 21.950 1.00 64.51 H new ATOM 0 HD12 LEU A 25 -1.898 -13.627 23.555 1.00 64.51 H new ATOM 0 HD13 LEU A 25 -2.676 -14.291 22.099 1.00 64.51 H new ATOM 0 HD21 LEU A 25 -2.298 -11.759 20.386 1.00 62.41 H new ATOM 0 HD22 LEU A 25 -3.823 -12.673 20.473 1.00 62.41 H new ATOM 0 HD23 LEU A 25 -3.806 -10.934 20.849 1.00 62.41 H new ATOM 411 N PRO A 26 -4.744 -15.287 22.559 1.00 52.44 N ATOM 412 CA PRO A 26 -4.309 -16.604 22.085 1.00 31.05 C ATOM 413 C PRO A 26 -5.416 -17.350 21.348 1.00 41.32 C ATOM 414 O PRO A 26 -5.191 -18.426 20.794 1.00 42.33 O ATOM 415 CB PRO A 26 -3.937 -17.339 23.375 1.00 21.15 C ATOM 416 CG PRO A 26 -4.746 -16.676 24.436 1.00 4.23 C ATOM 417 CD PRO A 26 -4.865 -15.234 24.025 1.00 32.33 C ATOM 0 HA PRO A 26 -3.491 -16.530 21.369 1.00 31.05 H new ATOM 0 HB2 PRO A 26 -4.169 -18.402 23.306 1.00 21.15 H new ATOM 0 HB3 PRO A 26 -2.870 -17.259 23.583 1.00 21.15 H new ATOM 0 HG2 PRO A 26 -5.729 -17.139 24.524 1.00 4.23 H new ATOM 0 HG3 PRO A 26 -4.263 -16.766 25.409 1.00 4.23 H new ATOM 0 HD2 PRO A 26 -5.818 -14.805 24.334 1.00 32.33 H new ATOM 0 HD3 PRO A 26 -4.081 -14.623 24.471 1.00 32.33 H new ATOM 425 N VAL A 27 -6.613 -16.771 21.344 1.00 5.22 N ATOM 426 CA VAL A 27 -7.754 -17.380 20.673 1.00 75.01 C ATOM 427 C VAL A 27 -7.580 -17.354 19.159 1.00 62.14 C ATOM 428 O VAL A 27 -7.768 -18.366 18.485 1.00 70.35 O ATOM 429 CB VAL A 27 -9.068 -16.665 21.039 1.00 13.54 C ATOM 430 CG1 VAL A 27 -10.217 -17.189 20.191 1.00 43.42 C ATOM 431 CG2 VAL A 27 -9.370 -16.831 22.521 1.00 21.41 C ATOM 0 H VAL A 27 -6.817 -15.881 21.798 1.00 5.22 H new ATOM 0 HA VAL A 27 -7.805 -18.415 21.013 1.00 75.01 H new ATOM 0 HB VAL A 27 -8.951 -15.601 20.832 1.00 13.54 H new ATOM 0 HG11 VAL A 27 -11.137 -16.672 20.465 1.00 43.42 H new ATOM 0 HG12 VAL A 27 -10.001 -17.013 19.137 1.00 43.42 H new ATOM 0 HG13 VAL A 27 -10.338 -18.259 20.363 1.00 43.42 H new ATOM 0 HG21 VAL A 27 -10.302 -16.319 22.762 1.00 21.41 H new ATOM 0 HG22 VAL A 27 -9.467 -17.891 22.756 1.00 21.41 H new ATOM 0 HG23 VAL A 27 -8.558 -16.402 23.108 1.00 21.41 H new ATOM 441 N ALA A 28 -7.218 -16.190 18.630 1.00 11.31 N ATOM 442 CA ALA A 28 -7.015 -16.032 17.195 1.00 33.13 C ATOM 443 C ALA A 28 -5.850 -16.887 16.708 1.00 11.14 C ATOM 444 O ALA A 28 -5.963 -17.596 15.709 1.00 63.34 O ATOM 445 CB ALA A 28 -6.778 -14.569 16.853 1.00 2.34 C ATOM 0 H ALA A 28 -7.059 -15.342 19.174 1.00 11.31 H new ATOM 0 HA ALA A 28 -7.918 -16.371 16.686 1.00 33.13 H new ATOM 0 HB1 ALA A 28 -6.628 -14.466 15.778 1.00 2.34 H new ATOM 0 HB2 ALA A 28 -7.643 -13.980 17.157 1.00 2.34 H new ATOM 0 HB3 ALA A 28 -5.893 -14.211 17.379 1.00 2.34 H new ATOM 451 N VAL A 29 -4.730 -16.814 17.421 1.00 34.32 N ATOM 452 CA VAL A 29 -3.544 -17.582 17.062 1.00 52.13 C ATOM 453 C VAL A 29 -3.829 -19.079 17.092 1.00 63.42 C ATOM 454 O VAL A 29 -3.621 -19.782 16.103 1.00 60.34 O ATOM 455 CB VAL A 29 -2.369 -17.275 18.008 1.00 3.35 C ATOM 456 CG1 VAL A 29 -1.100 -17.959 17.524 1.00 44.23 C ATOM 457 CG2 VAL A 29 -2.161 -15.773 18.130 1.00 55.42 C ATOM 0 H VAL A 29 -4.620 -16.231 18.250 1.00 34.32 H new ATOM 0 HA VAL A 29 -3.271 -17.287 16.049 1.00 52.13 H new ATOM 0 HB VAL A 29 -2.610 -17.667 18.996 1.00 3.35 H new ATOM 0 HG11 VAL A 29 -0.281 -17.730 18.206 1.00 44.23 H new ATOM 0 HG12 VAL A 29 -1.257 -19.037 17.494 1.00 44.23 H new ATOM 0 HG13 VAL A 29 -0.852 -17.601 16.525 1.00 44.23 H new ATOM 0 HG21 VAL A 29 -1.326 -15.575 18.803 1.00 55.42 H new ATOM 0 HG22 VAL A 29 -1.942 -15.355 17.147 1.00 55.42 H new ATOM 0 HG23 VAL A 29 -3.065 -15.312 18.528 1.00 55.42 H new ATOM 467 N LYS A 30 -4.306 -19.562 18.234 1.00 71.42 N ATOM 468 CA LYS A 30 -4.622 -20.977 18.394 1.00 2.23 C ATOM 469 C LYS A 30 -5.580 -21.448 17.305 1.00 43.45 C ATOM 470 O LYS A 30 -5.364 -22.487 16.680 1.00 52.22 O ATOM 471 CB LYS A 30 -5.237 -21.230 19.773 1.00 65.13 C ATOM 472 CG LYS A 30 -4.233 -21.153 20.910 1.00 43.11 C ATOM 473 CD LYS A 30 -3.692 -22.526 21.271 1.00 34.40 C ATOM 474 CE LYS A 30 -2.494 -22.898 20.411 1.00 54.03 C ATOM 475 NZ LYS A 30 -1.559 -23.809 21.127 1.00 44.34 N ATOM 0 H LYS A 30 -4.482 -18.994 19.063 1.00 71.42 H new ATOM 0 HA LYS A 30 -3.694 -21.543 18.306 1.00 2.23 H new ATOM 0 HB2 LYS A 30 -6.028 -20.501 19.948 1.00 65.13 H new ATOM 0 HB3 LYS A 30 -5.704 -22.215 19.778 1.00 65.13 H new ATOM 0 HG2 LYS A 30 -3.408 -20.500 20.625 1.00 43.11 H new ATOM 0 HG3 LYS A 30 -4.706 -20.706 21.784 1.00 43.11 H new ATOM 0 HD2 LYS A 30 -3.405 -22.540 22.322 1.00 34.40 H new ATOM 0 HD3 LYS A 30 -4.477 -23.272 21.145 1.00 34.40 H new ATOM 0 HE2 LYS A 30 -2.839 -23.378 19.496 1.00 54.03 H new ATOM 0 HE3 LYS A 30 -1.964 -21.993 20.115 1.00 54.03 H new ATOM 0 HZ1 LYS A 30 -0.756 -24.039 20.507 1.00 44.34 H new ATOM 0 HZ2 LYS A 30 -1.209 -23.341 21.988 1.00 44.34 H new ATOM 0 HZ3 LYS A 30 -2.058 -24.684 21.387 1.00 44.34 H new ATOM 489 N THR A 31 -6.639 -20.676 17.080 1.00 45.35 N ATOM 490 CA THR A 31 -7.629 -21.013 16.065 1.00 21.41 C ATOM 491 C THR A 31 -6.982 -21.160 14.693 1.00 72.04 C ATOM 492 O THR A 31 -6.967 -22.247 14.115 1.00 24.34 O ATOM 493 CB THR A 31 -8.738 -19.948 15.986 1.00 12.32 C ATOM 494 OG1 THR A 31 -9.525 -19.969 17.183 1.00 64.43 O ATOM 495 CG2 THR A 31 -9.634 -20.187 14.780 1.00 20.22 C ATOM 0 H THR A 31 -6.833 -19.813 17.588 1.00 45.35 H new ATOM 0 HA THR A 31 -8.071 -21.965 16.359 1.00 21.41 H new ATOM 0 HB THR A 31 -8.265 -18.972 15.880 1.00 12.32 H new ATOM 0 HG1 THR A 31 -9.078 -19.441 17.878 1.00 64.43 H new ATOM 0 HG21 THR A 31 -10.410 -19.422 14.746 1.00 20.22 H new ATOM 0 HG22 THR A 31 -9.038 -20.140 13.869 1.00 20.22 H new ATOM 0 HG23 THR A 31 -10.098 -21.170 14.860 1.00 20.22 H new ATOM 503 N VAL A 32 -6.448 -20.059 14.174 1.00 11.54 N ATOM 504 CA VAL A 32 -5.798 -20.065 12.869 1.00 22.15 C ATOM 505 C VAL A 32 -4.838 -21.243 12.739 1.00 15.25 C ATOM 506 O VAL A 32 -5.039 -22.131 11.912 1.00 31.52 O ATOM 507 CB VAL A 32 -5.024 -18.757 12.622 1.00 44.24 C ATOM 508 CG1 VAL A 32 -4.393 -18.763 11.237 1.00 31.34 C ATOM 509 CG2 VAL A 32 -5.940 -17.555 12.793 1.00 35.12 C ATOM 0 H VAL A 32 -6.453 -19.151 14.638 1.00 11.54 H new ATOM 0 HA VAL A 32 -6.587 -20.158 12.123 1.00 22.15 H new ATOM 0 HB VAL A 32 -4.225 -18.684 13.360 1.00 44.24 H new ATOM 0 HG11 VAL A 32 -3.850 -17.831 11.080 1.00 31.34 H new ATOM 0 HG12 VAL A 32 -3.703 -19.603 11.155 1.00 31.34 H new ATOM 0 HG13 VAL A 32 -5.173 -18.860 10.482 1.00 31.34 H new ATOM 0 HG21 VAL A 32 -5.376 -16.639 12.615 1.00 35.12 H new ATOM 0 HG22 VAL A 32 -6.762 -17.620 12.080 1.00 35.12 H new ATOM 0 HG23 VAL A 32 -6.339 -17.543 13.807 1.00 35.12 H new ATOM 519 N ALA A 33 -3.795 -21.243 13.563 1.00 53.11 N ATOM 520 CA ALA A 33 -2.806 -22.313 13.542 1.00 4.20 C ATOM 521 C ALA A 33 -3.467 -23.676 13.717 1.00 2.35 C ATOM 522 O ALA A 33 -2.917 -24.700 13.314 1.00 54.44 O ATOM 523 CB ALA A 33 -1.761 -22.087 14.625 1.00 35.25 C ATOM 0 H ALA A 33 -3.614 -20.514 14.253 1.00 53.11 H new ATOM 0 HA ALA A 33 -2.314 -22.300 12.570 1.00 4.20 H new ATOM 0 HB1 ALA A 33 -1.029 -22.894 14.598 1.00 35.25 H new ATOM 0 HB2 ALA A 33 -1.259 -21.135 14.453 1.00 35.25 H new ATOM 0 HB3 ALA A 33 -2.246 -22.070 15.601 1.00 35.25 H new ATOM 529 N GLY A 34 -4.650 -23.681 14.324 1.00 52.22 N ATOM 530 CA GLY A 34 -5.366 -24.924 14.543 1.00 52.03 C ATOM 531 C GLY A 34 -5.719 -25.626 13.246 1.00 13.34 C ATOM 532 O GLY A 34 -5.180 -26.689 12.942 1.00 63.42 O ATOM 0 H GLY A 34 -5.125 -22.846 14.668 1.00 52.22 H new ATOM 0 HA2 GLY A 34 -4.757 -25.587 15.157 1.00 52.03 H new ATOM 0 HA3 GLY A 34 -6.279 -24.720 15.102 1.00 52.03 H new ATOM 536 N TRP A 35 -6.628 -25.031 12.482 1.00 12.14 N ATOM 537 CA TRP A 35 -7.054 -25.607 11.212 1.00 31.20 C ATOM 538 C TRP A 35 -5.983 -25.421 10.143 1.00 23.14 C ATOM 539 O TRP A 35 -5.958 -26.141 9.144 1.00 14.53 O ATOM 540 CB TRP A 35 -8.366 -24.969 10.753 1.00 10.31 C ATOM 541 CG TRP A 35 -8.350 -23.471 10.810 1.00 24.12 C ATOM 542 CD1 TRP A 35 -8.679 -22.688 11.880 1.00 43.05 C ATOM 543 CD2 TRP A 35 -7.987 -22.577 9.752 1.00 31.12 C ATOM 544 NE1 TRP A 35 -8.543 -21.361 11.550 1.00 44.10 N ATOM 545 CE2 TRP A 35 -8.119 -21.266 10.251 1.00 62.31 C ATOM 546 CE3 TRP A 35 -7.562 -22.756 8.433 1.00 32.20 C ATOM 547 CZ2 TRP A 35 -7.842 -20.144 9.475 1.00 3.22 C ATOM 548 CZ3 TRP A 35 -7.288 -21.641 7.664 1.00 21.14 C ATOM 549 CH2 TRP A 35 -7.428 -20.349 8.187 1.00 4.41 C ATOM 0 H TRP A 35 -7.084 -24.150 12.720 1.00 12.14 H new ATOM 0 HA TRP A 35 -7.210 -26.675 11.361 1.00 31.20 H new ATOM 0 HB2 TRP A 35 -8.577 -25.284 9.731 1.00 10.31 H new ATOM 0 HB3 TRP A 35 -9.180 -25.341 11.376 1.00 10.31 H new ATOM 0 HD1 TRP A 35 -8.999 -23.057 12.843 1.00 43.05 H new ATOM 0 HE1 TRP A 35 -8.728 -20.574 12.172 1.00 44.10 H new ATOM 0 HE3 TRP A 35 -7.450 -23.748 8.022 1.00 32.20 H new ATOM 0 HZ2 TRP A 35 -7.950 -19.147 9.875 1.00 3.22 H new ATOM 0 HZ3 TRP A 35 -6.960 -21.768 6.643 1.00 21.14 H new ATOM 0 HH2 TRP A 35 -7.205 -19.498 7.561 1.00 4.41 H new ATOM 560 N ILE A 36 -5.099 -24.453 10.360 1.00 1.11 N ATOM 561 CA ILE A 36 -4.025 -24.175 9.415 1.00 5.52 C ATOM 562 C ILE A 36 -3.005 -25.308 9.392 1.00 21.24 C ATOM 563 O ILE A 36 -2.648 -25.815 8.329 1.00 54.35 O ATOM 564 CB ILE A 36 -3.303 -22.857 9.755 1.00 30.03 C ATOM 565 CG1 ILE A 36 -4.095 -21.663 9.219 1.00 73.13 C ATOM 566 CG2 ILE A 36 -1.893 -22.863 9.185 1.00 25.11 C ATOM 567 CD1 ILE A 36 -4.145 -21.601 7.708 1.00 15.12 C ATOM 0 H ILE A 36 -5.105 -23.848 11.182 1.00 1.11 H new ATOM 0 HA ILE A 36 -4.486 -24.085 8.432 1.00 5.52 H new ATOM 0 HB ILE A 36 -3.235 -22.767 10.839 1.00 30.03 H new ATOM 0 HG12 ILE A 36 -5.113 -21.709 9.607 1.00 73.13 H new ATOM 0 HG13 ILE A 36 -3.651 -20.743 9.598 1.00 73.13 H new ATOM 0 HG21 ILE A 36 -1.396 -21.925 9.434 1.00 25.11 H new ATOM 0 HG22 ILE A 36 -1.332 -23.695 9.611 1.00 25.11 H new ATOM 0 HG23 ILE A 36 -1.939 -22.973 8.102 1.00 25.11 H new ATOM 0 HD11 ILE A 36 -4.722 -20.730 7.399 1.00 15.12 H new ATOM 0 HD12 ILE A 36 -3.132 -21.524 7.313 1.00 15.12 H new ATOM 0 HD13 ILE A 36 -4.617 -22.505 7.322 1.00 15.12 H new ATOM 579 N ARG A 37 -2.541 -25.703 10.573 1.00 4.15 N ATOM 580 CA ARG A 37 -1.562 -26.778 10.689 1.00 14.44 C ATOM 581 C ARG A 37 -2.198 -28.128 10.371 1.00 43.23 C ATOM 582 O ARG A 37 -1.588 -28.973 9.717 1.00 64.12 O ATOM 583 CB ARG A 37 -0.965 -26.803 12.098 1.00 51.34 C ATOM 584 CG ARG A 37 0.344 -27.569 12.190 1.00 30.44 C ATOM 585 CD ARG A 37 1.414 -26.955 11.302 1.00 52.35 C ATOM 586 NE ARG A 37 2.737 -27.510 11.574 1.00 51.40 N ATOM 587 CZ ARG A 37 3.142 -28.695 11.132 1.00 40.01 C ATOM 588 NH1 ARG A 37 2.331 -29.446 10.400 1.00 53.22 N ATOM 589 NH2 ARG A 37 4.361 -29.131 11.422 1.00 62.23 N ATOM 0 H ARG A 37 -2.827 -25.295 11.463 1.00 4.15 H new ATOM 0 HA ARG A 37 -0.766 -26.591 9.968 1.00 14.44 H new ATOM 0 HB2 ARG A 37 -0.801 -25.779 12.432 1.00 51.34 H new ATOM 0 HB3 ARG A 37 -1.687 -27.250 12.782 1.00 51.34 H new ATOM 0 HG2 ARG A 37 0.689 -27.578 13.224 1.00 30.44 H new ATOM 0 HG3 ARG A 37 0.180 -28.607 11.899 1.00 30.44 H new ATOM 0 HD2 ARG A 37 1.158 -27.125 10.256 1.00 52.35 H new ATOM 0 HD3 ARG A 37 1.436 -25.876 11.454 1.00 52.35 H new ATOM 0 HE ARG A 37 3.386 -26.957 12.134 1.00 51.40 H new ATOM 0 HH11 ARG A 37 1.393 -29.114 10.175 1.00 53.22 H new ATOM 0 HH12 ARG A 37 2.645 -30.356 10.062 1.00 53.22 H new ATOM 0 HH21 ARG A 37 4.988 -28.556 11.985 1.00 62.23 H new ATOM 0 HH22 ARG A 37 4.671 -30.041 11.082 1.00 62.23 H new ATOM 603 N ALA A 38 -3.426 -28.323 10.838 1.00 14.10 N ATOM 604 CA ALA A 38 -4.145 -29.569 10.602 1.00 42.03 C ATOM 605 C ALA A 38 -4.286 -29.846 9.109 1.00 73.41 C ATOM 606 O ALA A 38 -3.942 -30.929 8.633 1.00 43.13 O ATOM 607 CB ALA A 38 -5.514 -29.523 11.264 1.00 42.30 C ATOM 0 H ALA A 38 -3.944 -27.634 11.382 1.00 14.10 H new ATOM 0 HA ALA A 38 -3.568 -30.382 11.043 1.00 42.03 H new ATOM 0 HB1 ALA A 38 -6.039 -30.460 11.079 1.00 42.30 H new ATOM 0 HB2 ALA A 38 -5.394 -29.380 12.338 1.00 42.30 H new ATOM 0 HB3 ALA A 38 -6.091 -28.696 10.850 1.00 42.30 H new ATOM 613 N LEU A 39 -4.796 -28.863 8.375 1.00 65.21 N ATOM 614 CA LEU A 39 -4.983 -29.002 6.935 1.00 54.21 C ATOM 615 C LEU A 39 -3.642 -29.144 6.222 1.00 54.41 C ATOM 616 O LEU A 39 -3.423 -30.098 5.476 1.00 23.00 O ATOM 617 CB LEU A 39 -5.743 -27.795 6.381 1.00 32.04 C ATOM 618 CG LEU A 39 -7.215 -28.028 6.040 1.00 14.42 C ATOM 619 CD1 LEU A 39 -8.102 -27.647 7.216 1.00 73.43 C ATOM 620 CD2 LEU A 39 -7.606 -27.240 4.798 1.00 10.33 C ATOM 0 H LEU A 39 -5.087 -27.962 8.753 1.00 65.21 H new ATOM 0 HA LEU A 39 -5.566 -29.905 6.755 1.00 54.21 H new ATOM 0 HB2 LEU A 39 -5.683 -26.987 7.110 1.00 32.04 H new ATOM 0 HB3 LEU A 39 -5.232 -27.451 5.482 1.00 32.04 H new ATOM 0 HG LEU A 39 -7.357 -29.089 5.833 1.00 14.42 H new ATOM 0 HD11 LEU A 39 -9.146 -27.819 6.955 1.00 73.43 H new ATOM 0 HD12 LEU A 39 -7.839 -28.255 8.082 1.00 73.43 H new ATOM 0 HD13 LEU A 39 -7.957 -26.593 7.455 1.00 73.43 H new ATOM 0 HD21 LEU A 39 -8.657 -27.418 4.570 1.00 10.33 H new ATOM 0 HD22 LEU A 39 -7.449 -26.176 4.977 1.00 10.33 H new ATOM 0 HD23 LEU A 39 -6.993 -27.561 3.956 1.00 10.33 H new ATOM 632 N ARG A 40 -2.749 -28.189 6.458 1.00 3.22 N ATOM 633 CA ARG A 40 -1.429 -28.208 5.839 1.00 3.15 C ATOM 634 C ARG A 40 -0.752 -29.560 6.043 1.00 33.42 C ATOM 635 O ARG A 40 -0.242 -30.159 5.097 1.00 64.14 O ATOM 636 CB ARG A 40 -0.554 -27.095 6.420 1.00 23.51 C ATOM 637 CG ARG A 40 0.630 -26.730 5.540 1.00 42.31 C ATOM 638 CD ARG A 40 0.802 -25.222 5.435 1.00 74.30 C ATOM 639 NE ARG A 40 2.192 -24.845 5.199 1.00 45.23 N ATOM 640 CZ ARG A 40 2.621 -23.587 5.186 1.00 33.41 C ATOM 641 NH1 ARG A 40 1.770 -22.592 5.396 1.00 44.14 N ATOM 642 NH2 ARG A 40 3.902 -23.324 4.964 1.00 0.20 N ATOM 0 H ARG A 40 -2.915 -27.393 7.073 1.00 3.22 H new ATOM 0 HA ARG A 40 -1.555 -28.042 4.769 1.00 3.15 H new ATOM 0 HB2 ARG A 40 -1.167 -26.207 6.577 1.00 23.51 H new ATOM 0 HB3 ARG A 40 -0.187 -27.406 7.398 1.00 23.51 H new ATOM 0 HG2 ARG A 40 1.538 -27.173 5.948 1.00 42.31 H new ATOM 0 HG3 ARG A 40 0.489 -27.151 4.545 1.00 42.31 H new ATOM 0 HD2 ARG A 40 0.181 -24.842 4.624 1.00 74.30 H new ATOM 0 HD3 ARG A 40 0.450 -24.752 6.353 1.00 74.30 H new ATOM 0 HE ARG A 40 2.872 -25.588 5.035 1.00 45.23 H new ATOM 0 HH11 ARG A 40 0.785 -22.791 5.568 1.00 44.14 H new ATOM 0 HH12 ARG A 40 2.101 -21.627 5.386 1.00 44.14 H new ATOM 0 HH21 ARG A 40 4.559 -24.087 4.803 1.00 0.20 H new ATOM 0 HH22 ARG A 40 4.230 -22.358 4.954 1.00 0.20 H new ATOM 656 N SER A 41 -0.752 -30.035 7.285 1.00 74.44 N ATOM 657 CA SER A 41 -0.135 -31.315 7.614 1.00 51.14 C ATOM 658 C SER A 41 -0.788 -32.450 6.830 1.00 24.15 C ATOM 659 O SER A 41 -0.104 -33.328 6.302 1.00 74.14 O ATOM 660 CB SER A 41 -0.245 -31.587 9.115 1.00 22.01 C ATOM 661 OG SER A 41 0.554 -32.695 9.492 1.00 1.03 O ATOM 0 H SER A 41 -1.172 -29.553 8.080 1.00 74.44 H new ATOM 0 HA SER A 41 0.918 -31.265 7.338 1.00 51.14 H new ATOM 0 HB2 SER A 41 0.067 -30.703 9.672 1.00 22.01 H new ATOM 0 HB3 SER A 41 -1.285 -31.779 9.378 1.00 22.01 H new ATOM 0 HG SER A 41 0.468 -32.848 10.456 1.00 1.03 H new ATOM 667 N LEU A 42 -2.114 -32.426 6.761 1.00 61.13 N ATOM 668 CA LEU A 42 -2.861 -33.453 6.042 1.00 10.33 C ATOM 669 C LEU A 42 -2.542 -33.416 4.551 1.00 3.52 C ATOM 670 O LEU A 42 -2.327 -34.454 3.926 1.00 11.43 O ATOM 671 CB LEU A 42 -4.363 -33.263 6.259 1.00 74.43 C ATOM 672 CG LEU A 42 -5.280 -33.989 5.273 1.00 12.30 C ATOM 673 CD1 LEU A 42 -6.355 -34.766 6.017 1.00 61.33 C ATOM 674 CD2 LEU A 42 -5.910 -32.999 4.303 1.00 22.42 C ATOM 0 H LEU A 42 -2.694 -31.707 7.194 1.00 61.13 H new ATOM 0 HA LEU A 42 -2.563 -34.426 6.433 1.00 10.33 H new ATOM 0 HB2 LEU A 42 -4.609 -33.597 7.267 1.00 74.43 H new ATOM 0 HB3 LEU A 42 -4.585 -32.197 6.213 1.00 74.43 H new ATOM 0 HG LEU A 42 -4.680 -34.696 4.701 1.00 12.30 H new ATOM 0 HD11 LEU A 42 -6.998 -35.276 5.299 1.00 61.33 H new ATOM 0 HD12 LEU A 42 -5.886 -35.501 6.671 1.00 61.33 H new ATOM 0 HD13 LEU A 42 -6.953 -34.078 6.615 1.00 61.33 H new ATOM 0 HD21 LEU A 42 -6.559 -33.533 3.609 1.00 22.42 H new ATOM 0 HD22 LEU A 42 -6.497 -32.268 4.859 1.00 22.42 H new ATOM 0 HD23 LEU A 42 -5.126 -32.487 3.746 1.00 22.42 H new ATOM 686 N ALA A 43 -2.510 -32.212 3.988 1.00 72.20 N ATOM 687 CA ALA A 43 -2.213 -32.039 2.572 1.00 62.34 C ATOM 688 C ALA A 43 -0.887 -32.698 2.205 1.00 73.04 C ATOM 689 O ALA A 43 -0.832 -33.561 1.327 1.00 10.43 O ATOM 690 CB ALA A 43 -2.186 -30.561 2.215 1.00 51.55 C ATOM 0 H ALA A 43 -2.686 -31.343 4.491 1.00 72.20 H new ATOM 0 HA ALA A 43 -3.002 -32.525 1.999 1.00 62.34 H new ATOM 0 HB1 ALA A 43 -1.963 -30.447 1.154 1.00 51.55 H new ATOM 0 HB2 ALA A 43 -3.157 -30.117 2.431 1.00 51.55 H new ATOM 0 HB3 ALA A 43 -1.418 -30.059 2.803 1.00 51.55 H new ATOM 1082 N GLU A 67 -15.595 -43.195 -14.250 1.00 12.55 N ATOM 1083 CA GLU A 67 -15.881 -42.405 -15.441 1.00 45.55 C ATOM 1084 C GLU A 67 -16.270 -43.305 -16.611 1.00 5.24 C ATOM 1085 O GLU A 67 -17.188 -42.995 -17.369 1.00 54.12 O ATOM 1086 CB GLU A 67 -14.666 -41.555 -15.820 1.00 43.21 C ATOM 1087 CG GLU A 67 -14.608 -40.220 -15.097 1.00 42.53 C ATOM 1088 CD GLU A 67 -14.656 -39.039 -16.048 1.00 20.03 C ATOM 1089 OE1 GLU A 67 -15.579 -38.990 -16.887 1.00 41.23 O ATOM 1090 OE2 GLU A 67 -13.770 -38.164 -15.951 1.00 50.02 O ATOM 0 HA GLU A 67 -16.720 -41.747 -15.216 1.00 45.55 H new ATOM 0 HB2 GLU A 67 -13.758 -42.117 -15.602 1.00 43.21 H new ATOM 0 HB3 GLU A 67 -14.679 -41.376 -16.895 1.00 43.21 H new ATOM 0 HG2 GLU A 67 -15.442 -40.153 -14.398 1.00 42.53 H new ATOM 0 HG3 GLU A 67 -13.693 -40.170 -14.507 1.00 42.53 H new ATOM 1097 N LYS A 68 -15.563 -44.421 -16.750 1.00 70.43 N ATOM 1098 CA LYS A 68 -15.833 -45.369 -17.825 1.00 42.45 C ATOM 1099 C LYS A 68 -17.149 -46.101 -17.588 1.00 34.25 C ATOM 1100 O LYS A 68 -17.979 -46.215 -18.489 1.00 51.52 O ATOM 1101 CB LYS A 68 -14.689 -46.378 -17.942 1.00 62.43 C ATOM 1102 CG LYS A 68 -14.231 -46.616 -19.371 1.00 4.21 C ATOM 1103 CD LYS A 68 -13.652 -48.010 -19.546 1.00 45.44 C ATOM 1104 CE LYS A 68 -12.413 -47.992 -20.430 1.00 15.42 C ATOM 1105 NZ LYS A 68 -11.194 -48.407 -19.684 1.00 5.24 N ATOM 0 H LYS A 68 -14.798 -44.692 -16.132 1.00 70.43 H new ATOM 0 HA LYS A 68 -15.913 -44.810 -18.757 1.00 42.45 H new ATOM 0 HB2 LYS A 68 -13.843 -46.025 -17.352 1.00 62.43 H new ATOM 0 HB3 LYS A 68 -15.006 -47.326 -17.508 1.00 62.43 H new ATOM 0 HG2 LYS A 68 -15.073 -46.483 -20.051 1.00 4.21 H new ATOM 0 HG3 LYS A 68 -13.481 -45.873 -19.642 1.00 4.21 H new ATOM 0 HD2 LYS A 68 -13.398 -48.425 -18.571 1.00 45.44 H new ATOM 0 HD3 LYS A 68 -14.404 -48.665 -19.985 1.00 45.44 H new ATOM 0 HE2 LYS A 68 -12.563 -48.658 -21.280 1.00 15.42 H new ATOM 0 HE3 LYS A 68 -12.269 -46.989 -20.833 1.00 15.42 H new ATOM 0 HZ1 LYS A 68 -10.372 -48.382 -20.321 1.00 5.24 H new ATOM 0 HZ2 LYS A 68 -11.036 -47.756 -18.888 1.00 5.24 H new ATOM 0 HZ3 LYS A 68 -11.321 -49.373 -19.321 1.00 5.24 H new ATOM 1119 N ALA A 69 -17.334 -46.596 -16.368 1.00 12.52 N ATOM 1120 CA ALA A 69 -18.551 -47.314 -16.011 1.00 13.30 C ATOM 1121 C ALA A 69 -19.743 -46.366 -15.923 1.00 45.33 C ATOM 1122 O ALA A 69 -20.886 -46.801 -15.792 1.00 33.34 O ATOM 1123 CB ALA A 69 -18.362 -48.050 -14.693 1.00 74.20 C ATOM 0 H ALA A 69 -16.656 -46.513 -15.610 1.00 12.52 H new ATOM 0 HA ALA A 69 -18.757 -48.042 -16.796 1.00 13.30 H new ATOM 0 HB1 ALA A 69 -19.279 -48.582 -14.439 1.00 74.20 H new ATOM 0 HB2 ALA A 69 -17.543 -48.763 -14.789 1.00 74.20 H new ATOM 0 HB3 ALA A 69 -18.128 -47.333 -13.906 1.00 74.20 H new ATOM 1129 N SER A 70 -19.466 -45.068 -15.997 1.00 15.44 N ATOM 1130 CA SER A 70 -20.515 -44.058 -15.921 1.00 15.51 C ATOM 1131 C SER A 70 -20.720 -43.384 -17.274 1.00 44.24 C ATOM 1132 O SER A 70 -21.756 -42.766 -17.524 1.00 4.13 O ATOM 1133 CB SER A 70 -20.167 -43.008 -14.864 1.00 30.25 C ATOM 1134 OG SER A 70 -20.301 -43.538 -13.556 1.00 4.20 O ATOM 0 H SER A 70 -18.525 -44.691 -16.109 1.00 15.44 H new ATOM 0 HA SER A 70 -21.443 -44.555 -15.638 1.00 15.51 H new ATOM 0 HB2 SER A 70 -19.146 -42.659 -15.016 1.00 30.25 H new ATOM 0 HB3 SER A 70 -20.820 -42.142 -14.978 1.00 30.25 H new ATOM 0 HG SER A 70 -20.071 -42.848 -12.899 1.00 4.20 H new ATOM 1140 N LEU A 71 -19.724 -43.507 -18.146 1.00 34.35 N ATOM 1141 CA LEU A 71 -19.793 -42.911 -19.475 1.00 41.11 C ATOM 1142 C LEU A 71 -19.860 -43.989 -20.553 1.00 2.54 C ATOM 1143 O LEU A 71 -19.905 -43.687 -21.746 1.00 30.51 O ATOM 1144 CB LEU A 71 -18.581 -42.009 -19.714 1.00 65.22 C ATOM 1145 CG LEU A 71 -18.481 -40.769 -18.825 1.00 42.04 C ATOM 1146 CD1 LEU A 71 -18.063 -39.557 -19.644 1.00 74.54 C ATOM 1147 CD2 LEU A 71 -19.805 -40.509 -18.122 1.00 20.00 C ATOM 0 H LEU A 71 -18.860 -44.014 -17.956 1.00 34.35 H new ATOM 0 HA LEU A 71 -20.701 -42.311 -19.531 1.00 41.11 H new ATOM 0 HB2 LEU A 71 -17.678 -42.604 -19.576 1.00 65.22 H new ATOM 0 HB3 LEU A 71 -18.594 -41.685 -20.755 1.00 65.22 H new ATOM 0 HG LEU A 71 -17.719 -40.950 -18.067 1.00 42.04 H new ATOM 0 HD11 LEU A 71 -17.997 -38.684 -18.995 1.00 74.54 H new ATOM 0 HD12 LEU A 71 -17.091 -39.744 -20.100 1.00 74.54 H new ATOM 0 HD13 LEU A 71 -18.801 -39.373 -20.425 1.00 74.54 H new ATOM 0 HD21 LEU A 71 -19.715 -39.623 -17.494 1.00 20.00 H new ATOM 0 HD22 LEU A 71 -20.586 -40.349 -18.865 1.00 20.00 H new ATOM 0 HD23 LEU A 71 -20.063 -41.368 -17.503 1.00 20.00 H new ATOM 1159 N THR A 72 -19.868 -45.247 -20.124 1.00 61.00 N ATOM 1160 CA THR A 72 -19.931 -46.370 -21.051 1.00 44.32 C ATOM 1161 C THR A 72 -21.015 -46.156 -22.101 1.00 45.45 C ATOM 1162 O THR A 72 -20.894 -46.618 -23.235 1.00 24.42 O ATOM 1163 CB THR A 72 -20.202 -47.694 -20.313 1.00 0.15 C ATOM 1164 OG1 THR A 72 -20.711 -47.428 -19.001 1.00 14.30 O ATOM 1165 CG2 THR A 72 -18.933 -48.526 -20.210 1.00 22.21 C ATOM 0 H THR A 72 -19.832 -45.514 -19.140 1.00 61.00 H new ATOM 0 HA THR A 72 -18.960 -46.429 -21.542 1.00 44.32 H new ATOM 0 HB THR A 72 -20.941 -48.257 -20.883 1.00 0.15 H new ATOM 0 HG1 THR A 72 -20.882 -48.275 -18.539 1.00 14.30 H new ATOM 0 HG21 THR A 72 -19.149 -49.456 -19.685 1.00 22.21 H new ATOM 0 HG22 THR A 72 -18.564 -48.751 -21.210 1.00 22.21 H new ATOM 0 HG23 THR A 72 -18.175 -47.967 -19.661 1.00 22.21 H new ATOM 1173 N ASN A 73 -22.073 -45.450 -21.717 1.00 75.40 N ATOM 1174 CA ASN A 73 -23.179 -45.175 -22.627 1.00 15.32 C ATOM 1175 C ASN A 73 -23.934 -43.918 -22.202 1.00 25.45 C ATOM 1176 O ASN A 73 -25.105 -43.740 -22.538 1.00 61.23 O ATOM 1177 CB ASN A 73 -24.138 -46.367 -22.674 1.00 45.31 C ATOM 1178 CG ASN A 73 -23.842 -47.389 -21.594 1.00 30.22 C ATOM 1179 OD1 ASN A 73 -23.016 -48.283 -21.779 1.00 30.11 O ATOM 1180 ND2 ASN A 73 -24.518 -47.262 -20.458 1.00 1.41 N ATOM 0 H ASN A 73 -22.188 -45.058 -20.782 1.00 75.40 H new ATOM 0 HA ASN A 73 -22.765 -45.011 -23.622 1.00 15.32 H new ATOM 0 HB2 ASN A 73 -25.162 -46.011 -22.563 1.00 45.31 H new ATOM 0 HB3 ASN A 73 -24.071 -46.845 -23.651 1.00 45.31 H new ATOM 0 HD21 ASN A 73 -24.362 -47.921 -19.695 1.00 1.41 H new ATOM 0 HD22 ASN A 73 -25.193 -46.506 -20.348 1.00 1.41 H new ATOM 1187 N LEU A 74 -23.254 -43.050 -21.460 1.00 74.04 N ATOM 1188 CA LEU A 74 -23.859 -41.809 -20.989 1.00 32.00 C ATOM 1189 C LEU A 74 -23.179 -40.598 -21.619 1.00 4.01 C ATOM 1190 O LEU A 74 -23.062 -39.543 -20.995 1.00 51.40 O ATOM 1191 CB LEU A 74 -23.770 -41.722 -19.464 1.00 75.43 C ATOM 1192 CG LEU A 74 -24.299 -42.931 -18.691 1.00 73.25 C ATOM 1193 CD1 LEU A 74 -24.655 -42.539 -17.266 1.00 24.44 C ATOM 1194 CD2 LEU A 74 -25.506 -43.530 -19.399 1.00 15.24 C ATOM 0 H LEU A 74 -22.285 -43.183 -21.172 1.00 74.04 H new ATOM 0 HA LEU A 74 -24.908 -41.809 -21.287 1.00 32.00 H new ATOM 0 HB2 LEU A 74 -22.726 -41.568 -19.189 1.00 75.43 H new ATOM 0 HB3 LEU A 74 -24.319 -40.839 -19.138 1.00 75.43 H new ATOM 0 HG LEU A 74 -23.514 -43.686 -18.653 1.00 73.25 H new ATOM 0 HD11 LEU A 74 -25.030 -43.412 -16.731 1.00 24.44 H new ATOM 0 HD12 LEU A 74 -23.768 -42.157 -16.761 1.00 24.44 H new ATOM 0 HD13 LEU A 74 -25.424 -41.766 -17.282 1.00 24.44 H new ATOM 0 HD21 LEU A 74 -25.869 -44.389 -18.835 1.00 15.24 H new ATOM 0 HD22 LEU A 74 -26.295 -42.782 -19.469 1.00 15.24 H new ATOM 0 HD23 LEU A 74 -25.219 -43.849 -20.401 1.00 15.24 H new ATOM 1206 N THR A 75 -22.732 -40.756 -22.861 1.00 61.11 N ATOM 1207 CA THR A 75 -22.064 -39.676 -23.576 1.00 71.14 C ATOM 1208 C THR A 75 -21.589 -40.137 -24.949 1.00 60.45 C ATOM 1209 O THR A 75 -21.079 -41.246 -25.117 1.00 14.33 O ATOM 1210 CB THR A 75 -20.859 -39.138 -22.783 1.00 3.31 C ATOM 1211 OG1 THR A 75 -20.521 -40.046 -21.728 1.00 54.42 O ATOM 1212 CG2 THR A 75 -21.164 -37.766 -22.200 1.00 23.11 C ATOM 0 H THR A 75 -22.821 -41.622 -23.393 1.00 61.11 H new ATOM 0 HA THR A 75 -22.796 -38.877 -23.697 1.00 71.14 H new ATOM 0 HB THR A 75 -20.015 -39.046 -23.466 1.00 3.31 H new ATOM 0 HG1 THR A 75 -20.141 -40.865 -22.110 1.00 54.42 H new ATOM 0 HG21 THR A 75 -20.298 -37.406 -21.644 1.00 23.11 H new ATOM 0 HG22 THR A 75 -21.392 -37.070 -23.007 1.00 23.11 H new ATOM 0 HG23 THR A 75 -22.021 -37.838 -21.530 1.00 23.11 H new ATOM 1220 N PRO A 76 -21.758 -39.269 -25.958 1.00 3.15 N ATOM 1221 CA PRO A 76 -21.351 -39.565 -27.334 1.00 70.33 C ATOM 1222 C PRO A 76 -19.835 -39.608 -27.495 1.00 12.33 C ATOM 1223 O PRO A 76 -19.310 -40.365 -28.310 1.00 43.30 O ATOM 1224 CB PRO A 76 -21.941 -38.403 -28.137 1.00 34.04 C ATOM 1225 CG PRO A 76 -22.059 -37.287 -27.157 1.00 25.14 C ATOM 1226 CD PRO A 76 -22.358 -37.930 -25.831 1.00 20.23 C ATOM 0 HA PRO A 76 -21.699 -40.546 -27.659 1.00 70.33 H new ATOM 0 HB2 PRO A 76 -21.295 -38.130 -28.972 1.00 34.04 H new ATOM 0 HB3 PRO A 76 -22.912 -38.665 -28.558 1.00 34.04 H new ATOM 0 HG2 PRO A 76 -21.136 -36.709 -27.111 1.00 25.14 H new ATOM 0 HG3 PRO A 76 -22.853 -36.598 -27.444 1.00 25.14 H new ATOM 0 HD2 PRO A 76 -21.920 -37.370 -25.005 1.00 20.23 H new ATOM 0 HD3 PRO A 76 -23.430 -37.986 -25.644 1.00 20.23 H new ATOM 1234 N GLU A 77 -19.139 -38.790 -26.711 1.00 63.23 N ATOM 1235 CA GLU A 77 -17.683 -38.735 -26.768 1.00 24.30 C ATOM 1236 C GLU A 77 -17.082 -40.135 -26.678 1.00 25.00 C ATOM 1237 O GLU A 77 -16.289 -40.539 -27.530 1.00 3.41 O ATOM 1238 CB GLU A 77 -17.139 -37.861 -25.636 1.00 44.13 C ATOM 1239 CG GLU A 77 -16.965 -36.402 -26.024 1.00 31.11 C ATOM 1240 CD GLU A 77 -15.550 -35.904 -25.804 1.00 22.24 C ATOM 1241 OE1 GLU A 77 -14.887 -36.395 -24.867 1.00 24.44 O ATOM 1242 OE2 GLU A 77 -15.106 -35.023 -26.569 1.00 43.11 O ATOM 0 H GLU A 77 -19.559 -38.157 -26.030 1.00 63.23 H new ATOM 0 HA GLU A 77 -17.398 -38.297 -27.725 1.00 24.30 H new ATOM 0 HB2 GLU A 77 -17.815 -37.923 -24.783 1.00 44.13 H new ATOM 0 HB3 GLU A 77 -16.178 -38.259 -25.311 1.00 44.13 H new ATOM 0 HG2 GLU A 77 -17.232 -36.275 -27.073 1.00 31.11 H new ATOM 0 HG3 GLU A 77 -17.656 -35.791 -25.443 1.00 31.11 H new ATOM 1249 N LEU A 78 -17.464 -40.871 -25.640 1.00 42.21 N ATOM 1250 CA LEU A 78 -16.963 -42.226 -25.437 1.00 0.20 C ATOM 1251 C LEU A 78 -17.238 -43.097 -26.658 1.00 53.14 C ATOM 1252 O LEU A 78 -16.321 -43.674 -27.242 1.00 70.44 O ATOM 1253 CB LEU A 78 -17.607 -42.848 -24.197 1.00 31.21 C ATOM 1254 CG LEU A 78 -16.966 -42.490 -22.856 1.00 4.11 C ATOM 1255 CD1 LEU A 78 -15.534 -43.000 -22.796 1.00 12.03 C ATOM 1256 CD2 LEU A 78 -17.008 -40.986 -22.630 1.00 4.44 C ATOM 0 H LEU A 78 -18.119 -40.552 -24.926 1.00 42.21 H new ATOM 0 HA LEU A 78 -15.884 -42.170 -25.290 1.00 0.20 H new ATOM 0 HB2 LEU A 78 -18.655 -42.549 -24.168 1.00 31.21 H new ATOM 0 HB3 LEU A 78 -17.588 -43.932 -24.308 1.00 31.21 H new ATOM 0 HG LEU A 78 -17.536 -42.973 -22.062 1.00 4.11 H new ATOM 0 HD11 LEU A 78 -15.094 -42.736 -21.834 1.00 12.03 H new ATOM 0 HD12 LEU A 78 -15.529 -44.084 -22.912 1.00 12.03 H new ATOM 0 HD13 LEU A 78 -14.952 -42.546 -23.598 1.00 12.03 H new ATOM 0 HD21 LEU A 78 -16.548 -40.749 -21.671 1.00 4.44 H new ATOM 0 HD22 LEU A 78 -16.463 -40.483 -23.428 1.00 4.44 H new ATOM 0 HD23 LEU A 78 -18.044 -40.647 -22.629 1.00 4.44 H new ATOM 1268 N LYS A 79 -18.507 -43.186 -27.041 1.00 55.34 N ATOM 1269 CA LYS A 79 -18.905 -43.983 -28.196 1.00 21.04 C ATOM 1270 C LYS A 79 -17.969 -43.738 -29.375 1.00 3.24 C ATOM 1271 O LYS A 79 -17.563 -44.674 -30.062 1.00 72.34 O ATOM 1272 CB LYS A 79 -20.345 -43.654 -28.597 1.00 63.41 C ATOM 1273 CG LYS A 79 -21.386 -44.463 -27.843 1.00 70.32 C ATOM 1274 CD LYS A 79 -22.732 -44.433 -28.547 1.00 14.32 C ATOM 1275 CE LYS A 79 -23.585 -43.267 -28.068 1.00 60.44 C ATOM 1276 NZ LYS A 79 -24.389 -42.678 -29.174 1.00 52.24 N ATOM 0 H LYS A 79 -19.279 -42.716 -26.568 1.00 55.34 H new ATOM 0 HA LYS A 79 -18.843 -45.035 -27.918 1.00 21.04 H new ATOM 0 HB2 LYS A 79 -20.528 -42.593 -28.426 1.00 63.41 H new ATOM 0 HB3 LYS A 79 -20.465 -43.830 -29.666 1.00 63.41 H new ATOM 0 HG2 LYS A 79 -21.047 -45.495 -27.747 1.00 70.32 H new ATOM 0 HG3 LYS A 79 -21.494 -44.068 -26.833 1.00 70.32 H new ATOM 0 HD2 LYS A 79 -22.579 -44.356 -29.623 1.00 14.32 H new ATOM 0 HD3 LYS A 79 -23.259 -45.370 -28.366 1.00 14.32 H new ATOM 0 HE2 LYS A 79 -24.252 -43.606 -27.275 1.00 60.44 H new ATOM 0 HE3 LYS A 79 -22.942 -42.499 -27.637 1.00 60.44 H new ATOM 0 HZ1 LYS A 79 -24.956 -41.887 -28.808 1.00 52.24 H new ATOM 0 HZ2 LYS A 79 -23.752 -42.331 -29.920 1.00 52.24 H new ATOM 0 HZ3 LYS A 79 -25.021 -43.404 -29.568 1.00 52.24 H new ATOM 1290 N ALA A 80 -17.628 -42.473 -29.601 1.00 74.22 N ATOM 1291 CA ALA A 80 -16.737 -42.106 -30.695 1.00 32.14 C ATOM 1292 C ALA A 80 -15.333 -42.655 -30.466 1.00 71.33 C ATOM 1293 O ALA A 80 -14.713 -43.200 -31.380 1.00 32.13 O ATOM 1294 CB ALA A 80 -16.695 -40.594 -30.856 1.00 3.33 C ATOM 0 H ALA A 80 -17.955 -41.686 -29.041 1.00 74.22 H new ATOM 0 HA ALA A 80 -17.126 -42.547 -31.613 1.00 32.14 H new ATOM 0 HB1 ALA A 80 -16.026 -40.334 -31.676 1.00 3.33 H new ATOM 0 HB2 ALA A 80 -17.697 -40.223 -31.073 1.00 3.33 H new ATOM 0 HB3 ALA A 80 -16.332 -40.140 -29.934 1.00 3.33 H new ATOM 1300 N SER A 81 -14.837 -42.508 -29.242 1.00 43.21 N ATOM 1301 CA SER A 81 -13.503 -42.985 -28.895 1.00 72.33 C ATOM 1302 C SER A 81 -13.413 -44.501 -29.045 1.00 42.25 C ATOM 1303 O SER A 81 -12.489 -45.019 -29.671 1.00 62.34 O ATOM 1304 CB SER A 81 -13.151 -42.581 -27.462 1.00 65.45 C ATOM 1305 OG SER A 81 -12.475 -41.336 -27.435 1.00 62.13 O ATOM 0 H SER A 81 -15.339 -42.062 -28.474 1.00 43.21 H new ATOM 0 HA SER A 81 -12.790 -42.526 -29.580 1.00 72.33 H new ATOM 0 HB2 SER A 81 -14.061 -42.518 -26.865 1.00 65.45 H new ATOM 0 HB3 SER A 81 -12.524 -43.349 -27.008 1.00 65.45 H new ATOM 0 HG SER A 81 -12.263 -41.099 -26.508 1.00 62.13 H new ATOM 1311 N MET A 82 -14.379 -45.205 -28.466 1.00 75.22 N ATOM 1312 CA MET A 82 -14.410 -46.662 -28.536 1.00 53.51 C ATOM 1313 C MET A 82 -14.551 -47.134 -29.980 1.00 13.42 C ATOM 1314 O MET A 82 -13.918 -48.107 -30.389 1.00 51.10 O ATOM 1315 CB MET A 82 -15.563 -47.210 -27.693 1.00 54.41 C ATOM 1316 CG MET A 82 -15.645 -46.598 -26.304 1.00 52.51 C ATOM 1317 SD MET A 82 -15.673 -47.840 -24.998 1.00 74.30 S ATOM 1318 CE MET A 82 -13.927 -47.978 -24.624 1.00 12.44 C ATOM 0 H MET A 82 -15.151 -44.791 -27.943 1.00 75.22 H new ATOM 0 HA MET A 82 -13.468 -47.040 -28.139 1.00 53.51 H new ATOM 0 HB2 MET A 82 -16.502 -47.030 -28.216 1.00 54.41 H new ATOM 0 HB3 MET A 82 -15.452 -48.290 -27.599 1.00 54.41 H new ATOM 0 HG2 MET A 82 -14.793 -45.936 -26.152 1.00 52.51 H new ATOM 0 HG3 MET A 82 -16.542 -45.983 -26.235 1.00 52.51 H new ATOM 0 HE1 MET A 82 -13.782 -48.712 -23.831 1.00 12.44 H new ATOM 0 HE2 MET A 82 -13.388 -48.296 -25.516 1.00 12.44 H new ATOM 0 HE3 MET A 82 -13.547 -47.010 -24.297 1.00 12.44 H new ATOM 1328 N ASP A 83 -15.385 -46.439 -30.746 1.00 2.31 N ATOM 1329 CA ASP A 83 -15.608 -46.787 -32.144 1.00 51.34 C ATOM 1330 C ASP A 83 -14.313 -46.684 -32.943 1.00 44.14 C ATOM 1331 O ASP A 83 -14.003 -47.555 -33.756 1.00 11.14 O ATOM 1332 CB ASP A 83 -16.673 -45.874 -32.756 1.00 25.15 C ATOM 1333 CG ASP A 83 -18.075 -46.247 -32.318 1.00 73.20 C ATOM 1334 OD1 ASP A 83 -18.237 -47.317 -31.695 1.00 73.22 O ATOM 1335 OD2 ASP A 83 -19.011 -45.469 -32.599 1.00 74.52 O ATOM 0 H ASP A 83 -15.917 -45.632 -30.422 1.00 2.31 H new ATOM 0 HA ASP A 83 -15.958 -47.819 -32.184 1.00 51.34 H new ATOM 0 HB2 ASP A 83 -16.469 -44.842 -32.472 1.00 25.15 H new ATOM 0 HB3 ASP A 83 -16.609 -45.924 -33.843 1.00 25.15 H new ATOM 1340 N GLU A 84 -13.561 -45.613 -32.707 1.00 61.23 N ATOM 1341 CA GLU A 84 -12.300 -45.397 -33.407 1.00 50.40 C ATOM 1342 C GLU A 84 -11.248 -46.407 -32.959 1.00 34.51 C ATOM 1343 O GLU A 84 -10.423 -46.857 -33.756 1.00 14.14 O ATOM 1344 CB GLU A 84 -11.793 -43.974 -33.162 1.00 1.13 C ATOM 1345 CG GLU A 84 -12.298 -42.964 -34.179 1.00 22.05 C ATOM 1346 CD GLU A 84 -11.191 -42.086 -34.728 1.00 5.54 C ATOM 1347 OE1 GLU A 84 -10.262 -41.753 -33.961 1.00 35.13 O ATOM 1348 OE2 GLU A 84 -11.252 -41.730 -35.923 1.00 62.30 O ATOM 0 H GLU A 84 -13.803 -44.883 -32.037 1.00 61.23 H new ATOM 0 HA GLU A 84 -12.478 -45.534 -34.474 1.00 50.40 H new ATOM 0 HB2 GLU A 84 -12.097 -43.656 -32.165 1.00 1.13 H new ATOM 0 HB3 GLU A 84 -10.703 -43.978 -33.177 1.00 1.13 H new ATOM 0 HG2 GLU A 84 -12.780 -43.492 -35.002 1.00 22.05 H new ATOM 0 HG3 GLU A 84 -13.058 -42.336 -33.715 1.00 22.05 H new ATOM 1355 N LEU A 85 -11.284 -46.760 -31.679 1.00 25.43 N ATOM 1356 CA LEU A 85 -10.334 -47.718 -31.123 1.00 3.13 C ATOM 1357 C LEU A 85 -10.651 -49.134 -31.591 1.00 35.55 C ATOM 1358 O LEU A 85 -9.751 -49.949 -31.792 1.00 44.00 O ATOM 1359 CB LEU A 85 -10.353 -47.657 -29.594 1.00 54.23 C ATOM 1360 CG LEU A 85 -9.274 -46.791 -28.943 1.00 72.12 C ATOM 1361 CD1 LEU A 85 -9.753 -45.354 -28.807 1.00 62.02 C ATOM 1362 CD2 LEU A 85 -8.885 -47.356 -27.585 1.00 64.20 C ATOM 0 H LEU A 85 -11.960 -46.398 -31.007 1.00 25.43 H new ATOM 0 HA LEU A 85 -9.338 -47.452 -31.479 1.00 3.13 H new ATOM 0 HB2 LEU A 85 -11.328 -47.286 -29.277 1.00 54.23 H new ATOM 0 HB3 LEU A 85 -10.257 -48.672 -29.209 1.00 54.23 H new ATOM 0 HG LEU A 85 -8.392 -46.799 -29.584 1.00 72.12 H new ATOM 0 HD11 LEU A 85 -8.972 -44.753 -28.342 1.00 62.02 H new ATOM 0 HD12 LEU A 85 -9.981 -44.952 -29.794 1.00 62.02 H new ATOM 0 HD13 LEU A 85 -10.650 -45.326 -28.188 1.00 62.02 H new ATOM 0 HD21 LEU A 85 -8.116 -46.727 -27.136 1.00 64.20 H new ATOM 0 HD22 LEU A 85 -9.760 -47.378 -26.936 1.00 64.20 H new ATOM 0 HD23 LEU A 85 -8.499 -48.368 -27.709 1.00 64.20 H new ATOM 1374 N ARG A 86 -11.938 -49.420 -31.763 1.00 62.43 N ATOM 1375 CA ARG A 86 -12.374 -50.738 -32.209 1.00 34.24 C ATOM 1376 C ARG A 86 -12.042 -50.952 -33.682 1.00 44.14 C ATOM 1377 O ARG A 86 -11.441 -51.960 -34.052 1.00 64.13 O ATOM 1378 CB ARG A 86 -13.879 -50.903 -31.985 1.00 42.14 C ATOM 1379 CG ARG A 86 -14.287 -52.317 -31.607 1.00 72.32 C ATOM 1380 CD ARG A 86 -15.002 -52.351 -30.265 1.00 41.23 C ATOM 1381 NE ARG A 86 -16.131 -53.278 -30.269 1.00 44.43 N ATOM 1382 CZ ARG A 86 -16.004 -54.590 -30.112 1.00 20.45 C ATOM 1383 NH1 ARG A 86 -14.805 -55.128 -29.938 1.00 5.04 N ATOM 1384 NH2 ARG A 86 -17.079 -55.368 -30.127 1.00 22.41 N ATOM 0 H ARG A 86 -12.696 -48.757 -31.600 1.00 62.43 H new ATOM 0 HA ARG A 86 -11.841 -51.487 -31.623 1.00 34.24 H new ATOM 0 HB2 ARG A 86 -14.198 -50.219 -31.198 1.00 42.14 H new ATOM 0 HB3 ARG A 86 -14.407 -50.612 -32.893 1.00 42.14 H new ATOM 0 HG2 ARG A 86 -14.939 -52.727 -32.378 1.00 72.32 H new ATOM 0 HG3 ARG A 86 -13.403 -52.953 -31.566 1.00 72.32 H new ATOM 0 HD2 ARG A 86 -14.297 -52.642 -29.486 1.00 41.23 H new ATOM 0 HD3 ARG A 86 -15.356 -51.350 -30.017 1.00 41.23 H new ATOM 0 HE ARG A 86 -17.068 -52.896 -30.400 1.00 44.43 H new ATOM 0 HH11 ARG A 86 -13.976 -54.533 -29.924 1.00 5.04 H new ATOM 0 HH12 ARG A 86 -14.711 -56.137 -29.818 1.00 5.04 H new ATOM 0 HH21 ARG A 86 -18.004 -54.958 -30.259 1.00 22.41 H new ATOM 0 HH22 ARG A 86 -16.981 -56.376 -30.006 1.00 22.41 H new ATOM 1398 N GLN A 87 -12.437 -49.997 -34.518 1.00 11.45 N ATOM 1399 CA GLN A 87 -12.182 -50.082 -35.951 1.00 4.44 C ATOM 1400 C GLN A 87 -10.684 -50.060 -36.239 1.00 31.22 C ATOM 1401 O GLN A 87 -10.194 -50.809 -37.083 1.00 61.40 O ATOM 1402 CB GLN A 87 -12.870 -48.928 -36.682 1.00 73.21 C ATOM 1403 CG GLN A 87 -14.376 -48.891 -36.478 1.00 73.43 C ATOM 1404 CD GLN A 87 -15.144 -48.981 -37.782 1.00 51.34 C ATOM 1405 OE1 GLN A 87 -15.764 -50.002 -38.083 1.00 2.53 O ATOM 1406 NE2 GLN A 87 -15.107 -47.909 -38.566 1.00 33.30 N ATOM 0 H GLN A 87 -12.935 -49.156 -34.227 1.00 11.45 H new ATOM 0 HA GLN A 87 -12.590 -51.026 -36.312 1.00 4.44 H new ATOM 0 HB2 GLN A 87 -12.442 -47.986 -36.340 1.00 73.21 H new ATOM 0 HB3 GLN A 87 -12.658 -49.006 -37.748 1.00 73.21 H new ATOM 0 HG2 GLN A 87 -14.671 -49.716 -35.829 1.00 73.43 H new ATOM 0 HG3 GLN A 87 -14.647 -47.969 -35.964 1.00 73.43 H new ATOM 0 HE21 GLN A 87 -14.581 -47.084 -38.278 1.00 33.30 H new ATOM 0 HE22 GLN A 87 -15.605 -47.911 -39.456 1.00 33.30 H new ATOM 1415 N ALA A 88 -9.963 -49.196 -35.532 1.00 22.42 N ATOM 1416 CA ALA A 88 -8.521 -49.079 -35.711 1.00 10.33 C ATOM 1417 C ALA A 88 -7.805 -50.341 -35.244 1.00 20.44 C ATOM 1418 O ALA A 88 -6.901 -50.838 -35.915 1.00 74.22 O ATOM 1419 CB ALA A 88 -7.994 -47.863 -34.962 1.00 61.34 C ATOM 0 H ALA A 88 -10.354 -48.567 -34.830 1.00 22.42 H new ATOM 0 HA ALA A 88 -8.321 -48.953 -36.775 1.00 10.33 H new ATOM 0 HB1 ALA A 88 -6.916 -47.787 -35.104 1.00 61.34 H new ATOM 0 HB2 ALA A 88 -8.475 -46.963 -35.346 1.00 61.34 H new ATOM 0 HB3 ALA A 88 -8.214 -47.967 -33.899 1.00 61.34 H new ATOM 1425 N ALA A 89 -8.214 -50.855 -34.088 1.00 73.23 N ATOM 1426 CA ALA A 89 -7.612 -52.061 -33.533 1.00 15.25 C ATOM 1427 C ALA A 89 -7.968 -53.287 -34.367 1.00 2.30 C ATOM 1428 O ALA A 89 -7.120 -54.142 -34.622 1.00 14.34 O ATOM 1429 CB ALA A 89 -8.056 -52.255 -32.090 1.00 62.21 C ATOM 0 H ALA A 89 -8.959 -50.455 -33.518 1.00 73.23 H new ATOM 0 HA ALA A 89 -6.529 -51.941 -33.556 1.00 15.25 H new ATOM 0 HB1 ALA A 89 -7.599 -53.159 -31.687 1.00 62.21 H new ATOM 0 HB2 ALA A 89 -7.746 -51.396 -31.495 1.00 62.21 H new ATOM 0 HB3 ALA A 89 -9.141 -52.349 -32.053 1.00 62.21 H new ATOM 1435 N GLU A 90 -9.226 -53.365 -34.789 1.00 31.32 N ATOM 1436 CA GLU A 90 -9.693 -54.488 -35.593 1.00 65.54 C ATOM 1437 C GLU A 90 -9.082 -54.447 -36.991 1.00 54.35 C ATOM 1438 O GLU A 90 -8.606 -55.460 -37.503 1.00 0.10 O ATOM 1439 CB GLU A 90 -11.219 -54.475 -35.691 1.00 35.53 C ATOM 1440 CG GLU A 90 -11.910 -55.130 -34.506 1.00 55.13 C ATOM 1441 CD GLU A 90 -13.391 -54.809 -34.444 1.00 72.15 C ATOM 1442 OE1 GLU A 90 -13.763 -53.663 -34.773 1.00 75.12 O ATOM 1443 OE2 GLU A 90 -14.177 -55.703 -34.067 1.00 53.15 O ATOM 0 H GLU A 90 -9.939 -52.664 -34.588 1.00 31.32 H new ATOM 0 HA GLU A 90 -9.376 -55.409 -35.103 1.00 65.54 H new ATOM 0 HB2 GLU A 90 -11.561 -53.443 -35.775 1.00 35.53 H new ATOM 0 HB3 GLU A 90 -11.521 -54.987 -36.605 1.00 35.53 H new ATOM 0 HG2 GLU A 90 -11.778 -56.210 -34.565 1.00 55.13 H new ATOM 0 HG3 GLU A 90 -11.432 -54.801 -33.584 1.00 55.13 H new ATOM 1450 N SER A 91 -9.102 -53.267 -37.604 1.00 63.21 N ATOM 1451 CA SER A 91 -8.555 -53.093 -38.945 1.00 22.14 C ATOM 1452 C SER A 91 -7.068 -53.435 -38.973 1.00 52.25 C ATOM 1453 O SER A 91 -6.593 -54.110 -39.886 1.00 32.20 O ATOM 1454 CB SER A 91 -8.769 -51.656 -39.423 1.00 3.21 C ATOM 1455 OG SER A 91 -8.018 -51.391 -40.595 1.00 64.20 O ATOM 0 H SER A 91 -9.491 -52.418 -37.194 1.00 63.21 H new ATOM 0 HA SER A 91 -9.079 -53.773 -39.616 1.00 22.14 H new ATOM 0 HB2 SER A 91 -9.828 -51.489 -39.620 1.00 3.21 H new ATOM 0 HB3 SER A 91 -8.478 -50.960 -38.636 1.00 3.21 H new ATOM 0 HG SER A 91 -8.173 -50.467 -40.881 1.00 64.20 H new ATOM 1461 N MET A 92 -6.339 -52.963 -37.967 1.00 54.34 N ATOM 1462 CA MET A 92 -4.907 -53.219 -37.876 1.00 44.32 C ATOM 1463 C MET A 92 -4.634 -54.696 -37.609 1.00 13.40 C ATOM 1464 O MET A 92 -3.743 -55.293 -38.214 1.00 14.33 O ATOM 1465 CB MET A 92 -4.284 -52.365 -36.770 1.00 43.00 C ATOM 1466 CG MET A 92 -3.734 -51.037 -37.264 1.00 43.13 C ATOM 1467 SD MET A 92 -3.648 -49.793 -35.962 1.00 51.31 S ATOM 1468 CE MET A 92 -2.968 -50.758 -34.616 1.00 24.24 C ATOM 0 H MET A 92 -6.717 -52.401 -37.204 1.00 54.34 H new ATOM 0 HA MET A 92 -4.454 -52.951 -38.831 1.00 44.32 H new ATOM 0 HB2 MET A 92 -5.035 -52.175 -36.003 1.00 43.00 H new ATOM 0 HB3 MET A 92 -3.480 -52.928 -36.297 1.00 43.00 H new ATOM 0 HG2 MET A 92 -2.738 -51.192 -37.679 1.00 43.13 H new ATOM 0 HG3 MET A 92 -4.362 -50.667 -38.074 1.00 43.13 H new ATOM 0 HE1 MET A 92 -2.560 -50.089 -33.858 1.00 24.24 H new ATOM 0 HE2 MET A 92 -3.754 -51.371 -34.174 1.00 24.24 H new ATOM 0 HE3 MET A 92 -2.175 -51.403 -34.995 1.00 24.24 H new ATOM 1478 N LYS A 93 -5.407 -55.280 -36.699 1.00 43.13 N ATOM 1479 CA LYS A 93 -5.250 -56.687 -36.352 1.00 60.41 C ATOM 1480 C LYS A 93 -5.790 -57.585 -37.461 1.00 50.20 C ATOM 1481 O LYS A 93 -5.505 -58.782 -37.497 1.00 53.14 O ATOM 1482 CB LYS A 93 -5.971 -56.993 -35.037 1.00 54.15 C ATOM 1483 CG LYS A 93 -7.406 -57.455 -35.224 1.00 53.22 C ATOM 1484 CD LYS A 93 -7.500 -58.970 -35.291 1.00 51.14 C ATOM 1485 CE LYS A 93 -8.609 -59.500 -34.395 1.00 41.03 C ATOM 1486 NZ LYS A 93 -9.935 -59.463 -35.073 1.00 3.05 N ATOM 0 H LYS A 93 -6.148 -54.800 -36.189 1.00 43.13 H new ATOM 0 HA LYS A 93 -4.186 -56.889 -36.231 1.00 60.41 H new ATOM 0 HB2 LYS A 93 -5.417 -57.763 -34.499 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -5.964 -56.100 -34.412 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -8.018 -57.088 -34.400 1.00 53.22 H new ATOM 0 HG3 LYS A 93 -7.812 -57.024 -36.139 1.00 53.22 H new ATOM 0 HD2 LYS A 93 -7.683 -59.279 -36.320 1.00 51.14 H new ATOM 0 HD3 LYS A 93 -6.548 -59.408 -34.991 1.00 51.14 H new ATOM 0 HE2 LYS A 93 -8.380 -60.524 -34.101 1.00 41.03 H new ATOM 0 HE3 LYS A 93 -8.652 -58.908 -33.481 1.00 41.03 H new ATOM 0 HZ1 LYS A 93 -10.664 -59.832 -34.430 1.00 3.05 H new ATOM 0 HZ2 LYS A 93 -10.166 -58.482 -35.331 1.00 3.05 H new ATOM 0 HZ3 LYS A 93 -9.902 -60.049 -35.932 1.00 3.05 H new ATOM 1500 N ARG A 94 -6.569 -56.998 -38.364 1.00 31.31 N ATOM 1501 CA ARG A 94 -7.148 -57.745 -39.474 1.00 32.30 C ATOM 1502 C ARG A 94 -6.202 -57.760 -40.671 1.00 75.43 C ATOM 1503 O ARG A 94 -6.131 -58.745 -41.406 1.00 61.41 O ATOM 1504 CB ARG A 94 -8.492 -57.137 -39.880 1.00 31.33 C ATOM 1505 CG ARG A 94 -9.204 -57.911 -40.978 1.00 3.52 C ATOM 1506 CD ARG A 94 -10.709 -57.925 -40.763 1.00 71.11 C ATOM 1507 NE ARG A 94 -11.436 -58.203 -41.999 1.00 64.31 N ATOM 1508 CZ ARG A 94 -11.544 -57.336 -42.999 1.00 42.21 C ATOM 1509 NH1 ARG A 94 -10.975 -56.141 -42.909 1.00 72.45 N ATOM 1510 NH2 ARG A 94 -12.222 -57.663 -44.092 1.00 44.51 N ATOM 0 H ARG A 94 -6.814 -56.008 -38.349 1.00 31.31 H new ATOM 0 HA ARG A 94 -7.306 -58.772 -39.145 1.00 32.30 H new ATOM 0 HB2 ARG A 94 -9.139 -57.088 -39.004 1.00 31.33 H new ATOM 0 HB3 ARG A 94 -8.331 -56.112 -40.215 1.00 31.33 H new ATOM 0 HG2 ARG A 94 -8.978 -57.463 -41.946 1.00 3.52 H new ATOM 0 HG3 ARG A 94 -8.830 -58.934 -41.005 1.00 3.52 H new ATOM 0 HD2 ARG A 94 -10.962 -58.678 -40.017 1.00 71.11 H new ATOM 0 HD3 ARG A 94 -11.027 -56.962 -40.364 1.00 71.11 H new ATOM 0 HE ARG A 94 -11.885 -59.113 -42.100 1.00 64.31 H new ATOM 0 HH11 ARG A 94 -10.453 -55.886 -42.070 1.00 72.45 H new ATOM 0 HH12 ARG A 94 -11.059 -55.477 -43.678 1.00 72.45 H new ATOM 0 HH21 ARG A 94 -12.661 -58.581 -44.164 1.00 44.51 H new ATOM 0 HH22 ARG A 94 -12.304 -56.996 -44.860 1.00 44.51 H new ATOM 1524 N SER A 95 -5.479 -56.662 -40.861 1.00 41.33 N ATOM 1525 CA SER A 95 -4.541 -56.547 -41.972 1.00 3.23 C ATOM 1526 C SER A 95 -3.154 -57.033 -41.563 1.00 64.45 C ATOM 1527 O SER A 95 -2.317 -57.341 -42.412 1.00 63.34 O ATOM 1528 CB SER A 95 -4.464 -55.097 -42.454 1.00 4.11 C ATOM 1529 OG SER A 95 -5.711 -54.442 -42.302 1.00 50.11 O ATOM 0 H SER A 95 -5.524 -55.839 -40.260 1.00 41.33 H new ATOM 0 HA SER A 95 -4.902 -57.174 -42.787 1.00 3.23 H new ATOM 0 HB2 SER A 95 -3.698 -54.563 -41.891 1.00 4.11 H new ATOM 0 HB3 SER A 95 -4.163 -55.074 -43.501 1.00 4.11 H new ATOM 0 HG SER A 95 -5.757 -54.027 -41.415 1.00 50.11 H new ATOM 1535 N TYR A 96 -2.918 -57.100 -40.258 1.00 4.10 N ATOM 1536 CA TYR A 96 -1.632 -57.546 -39.735 1.00 63.45 C ATOM 1537 C TYR A 96 -1.661 -59.038 -39.418 1.00 31.32 C ATOM 1538 O TYR A 96 -0.716 -59.768 -39.719 1.00 13.03 O ATOM 1539 CB TYR A 96 -1.264 -56.753 -38.480 1.00 75.41 C ATOM 1540 CG TYR A 96 -0.038 -57.279 -37.769 1.00 41.01 C ATOM 1541 CD1 TYR A 96 1.012 -57.846 -38.481 1.00 41.02 C ATOM 1542 CD2 TYR A 96 0.071 -57.210 -36.386 1.00 11.42 C ATOM 1543 CE1 TYR A 96 2.135 -58.328 -37.836 1.00 35.10 C ATOM 1544 CE2 TYR A 96 1.190 -57.688 -35.732 1.00 41.25 C ATOM 1545 CZ TYR A 96 2.219 -58.246 -36.462 1.00 21.33 C ATOM 1546 OH TYR A 96 3.335 -58.725 -35.814 1.00 60.14 O ATOM 0 H TYR A 96 -3.601 -56.851 -39.542 1.00 4.10 H new ATOM 0 HA TYR A 96 -0.877 -57.370 -40.501 1.00 63.45 H new ATOM 0 HB2 TYR A 96 -1.095 -55.712 -38.755 1.00 75.41 H new ATOM 0 HB3 TYR A 96 -2.108 -56.768 -37.790 1.00 75.41 H new ATOM 0 HD1 TYR A 96 0.949 -57.911 -39.557 1.00 41.02 H new ATOM 0 HD2 TYR A 96 -0.733 -56.775 -35.812 1.00 11.42 H new ATOM 0 HE1 TYR A 96 2.942 -58.766 -38.404 1.00 35.10 H new ATOM 0 HE2 TYR A 96 1.259 -57.625 -34.656 1.00 41.25 H new ATOM 0 HH TYR A 96 3.236 -58.590 -34.848 1.00 60.14 H new