USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-3.6!) USER MOD Single : A 29 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 83:sc= 0.0166 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -79:sc= -5.72! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.646 F(o=-2.5!,f=-0.65) USER MOD Single : A 52 HIS : no HE2:sc= -0.285 K(o=-0.29,f=-2.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.35 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.982 K(o=-0.98,f=-1.9!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.341 13.205 4.879 1.00 0.00 N ATOM 191 CA ILE A 16 4.909 11.830 4.665 1.00 0.00 C ATOM 192 C ILE A 16 3.433 11.769 4.290 1.00 0.00 C ATOM 193 O ILE A 16 2.605 12.468 4.873 1.00 0.00 O ATOM 194 CB ILE A 16 5.145 10.965 5.917 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.630 10.961 6.290 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.650 9.546 5.682 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.539 10.576 5.143 1.00 0.00 C ATOM 0 HA ILE A 16 5.506 11.436 3.843 1.00 0.00 H new ATOM 0 HB ILE A 16 4.582 11.393 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.909 11.952 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.787 10.268 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.824 8.947 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.583 9.565 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.188 9.108 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.576 10.594 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.286 9.573 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.410 11.283 4.324 1.00 0.00 H new ATOM 209 N ALA A 17 3.111 10.927 3.314 1.00 0.00 N ATOM 210 CA ALA A 17 1.733 10.772 2.862 1.00 0.00 C ATOM 211 C ALA A 17 1.171 9.415 3.273 1.00 0.00 C ATOM 212 O ALA A 17 1.571 8.381 2.739 1.00 0.00 O ATOM 213 CB ALA A 17 1.649 10.946 1.353 1.00 0.00 C ATOM 0 H ALA A 17 3.785 10.342 2.821 1.00 0.00 H new ATOM 0 HA ALA A 17 1.131 11.545 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.615 10.828 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.002 11.941 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.270 10.195 0.865 1.00 0.00 H new ATOM 219 N GLU A 18 0.243 9.426 4.224 1.00 0.00 N ATOM 220 CA GLU A 18 -0.372 8.195 4.706 1.00 0.00 C ATOM 221 C GLU A 18 -1.535 7.781 3.810 1.00 0.00 C ATOM 222 O GLU A 18 -2.574 8.441 3.777 1.00 0.00 O ATOM 223 CB GLU A 18 -0.860 8.372 6.146 1.00 0.00 C ATOM 224 CG GLU A 18 -1.411 7.097 6.762 1.00 0.00 C ATOM 225 CD GLU A 18 -2.431 7.370 7.850 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.270 8.373 8.576 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.390 6.579 7.976 1.00 0.00 O ATOM 0 H GLU A 18 -0.100 10.274 4.676 1.00 0.00 H new ATOM 0 HA GLU A 18 0.382 7.408 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.035 8.734 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.634 9.140 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.871 6.490 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.589 6.514 7.177 1.00 0.00 H new ATOM 234 N VAL A 19 -1.354 6.682 3.083 1.00 0.00 N ATOM 235 CA VAL A 19 -2.387 6.180 2.187 1.00 0.00 C ATOM 236 C VAL A 19 -2.710 4.720 2.485 1.00 0.00 C ATOM 237 O VAL A 19 -1.891 3.832 2.248 1.00 0.00 O ATOM 238 CB VAL A 19 -1.963 6.309 0.713 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.034 5.738 -0.204 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.674 7.762 0.367 1.00 0.00 C ATOM 0 H VAL A 19 -0.501 6.123 3.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.275 6.788 2.356 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.048 5.735 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.716 5.838 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.188 4.684 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.967 6.282 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.376 7.835 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.570 8.360 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.869 8.134 1.001 1.00 0.00 H new ATOM 250 N GLU A 20 -3.909 4.478 3.006 1.00 0.00 N ATOM 251 CA GLU A 20 -4.340 3.125 3.337 1.00 0.00 C ATOM 252 C GLU A 20 -5.205 2.541 2.223 1.00 0.00 C ATOM 253 O GLU A 20 -5.751 3.274 1.397 1.00 0.00 O ATOM 254 CB GLU A 20 -5.115 3.121 4.655 1.00 0.00 C ATOM 255 CG GLU A 20 -6.545 3.620 4.521 1.00 0.00 C ATOM 256 CD GLU A 20 -7.437 2.643 3.780 1.00 0.00 C ATOM 257 OE1 GLU A 20 -7.417 1.443 4.122 1.00 0.00 O ATOM 258 OE2 GLU A 20 -8.154 3.081 2.855 1.00 0.00 O ATOM 0 H GLU A 20 -4.599 5.202 3.208 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.451 2.504 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.129 2.107 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.588 3.743 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.957 3.801 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.545 4.576 3.997 1.00 0.00 H new ATOM 265 N VAL A 21 -5.324 1.218 2.205 1.00 0.00 N ATOM 266 CA VAL A 21 -6.122 0.535 1.194 1.00 0.00 C ATOM 267 C VAL A 21 -6.857 -0.660 1.789 1.00 0.00 C ATOM 268 O VAL A 21 -6.335 -1.348 2.667 1.00 0.00 O ATOM 269 CB VAL A 21 -5.248 0.054 0.020 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.278 -1.022 0.481 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.120 -0.454 -1.119 1.00 0.00 C ATOM 0 H VAL A 21 -4.878 0.597 2.880 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.849 1.257 0.824 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.666 0.899 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.670 -1.349 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.631 -0.619 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.837 -1.871 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.487 -0.790 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.730 -1.286 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.769 0.350 -1.467 1.00 0.00 H new ATOM 281 N SER A 22 -8.070 -0.904 1.305 1.00 0.00 N ATOM 282 CA SER A 22 -8.879 -2.015 1.791 1.00 0.00 C ATOM 283 C SER A 22 -8.489 -3.315 1.095 1.00 0.00 C ATOM 284 O SER A 22 -8.526 -3.410 -0.132 1.00 0.00 O ATOM 285 CB SER A 22 -10.365 -1.729 1.567 1.00 0.00 C ATOM 286 OG SER A 22 -11.167 -2.802 2.029 1.00 0.00 O ATOM 0 H SER A 22 -8.515 -0.346 0.576 1.00 0.00 H new ATOM 0 HA SER A 22 -8.695 -2.126 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.644 -0.812 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.551 -1.563 0.506 1.00 0.00 H new ATOM 0 HG SER A 22 -12.112 -2.593 1.876 1.00 0.00 H new ATOM 292 N ILE A 23 -8.117 -4.314 1.887 1.00 0.00 N ATOM 293 CA ILE A 23 -7.722 -5.610 1.349 1.00 0.00 C ATOM 294 C ILE A 23 -7.941 -6.720 2.371 1.00 0.00 C ATOM 295 O ILE A 23 -7.661 -6.569 3.559 1.00 0.00 O ATOM 296 CB ILE A 23 -6.244 -5.612 0.915 1.00 0.00 C ATOM 297 CG1 ILE A 23 -6.005 -4.553 -0.164 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.841 -6.990 0.411 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.558 -4.441 -0.590 1.00 0.00 C ATOM 0 H ILE A 23 -8.081 -4.251 2.904 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.349 -5.794 0.477 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.627 -5.368 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.615 -4.790 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.342 -3.585 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.794 -6.975 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.978 -7.723 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.462 -7.261 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.463 -3.672 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.945 -4.173 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.222 -5.397 -0.992 1.00 0.00 H new ATOM 311 N PRO A 24 -8.455 -7.866 1.898 1.00 0.00 N ATOM 312 CA PRO A 24 -8.721 -9.027 2.754 1.00 0.00 C ATOM 313 C PRO A 24 -7.440 -9.690 3.247 1.00 0.00 C ATOM 314 O PRO A 24 -6.496 -9.885 2.481 1.00 0.00 O ATOM 315 CB PRO A 24 -9.494 -9.975 1.834 1.00 0.00 C ATOM 316 CG PRO A 24 -9.067 -9.599 0.457 1.00 0.00 C ATOM 317 CD PRO A 24 -8.813 -8.117 0.492 1.00 0.00 C ATOM 0 HA PRO A 24 -9.263 -8.751 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.258 -11.017 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.570 -9.859 1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.168 -10.142 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.839 -9.845 -0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.008 -7.831 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.696 -7.551 0.195 1.00 0.00 H new ATOM 325 N ALA A 25 -7.413 -10.034 4.530 1.00 0.00 N ATOM 326 CA ALA A 25 -6.249 -10.678 5.125 1.00 0.00 C ATOM 327 C ALA A 25 -5.827 -11.901 4.319 1.00 0.00 C ATOM 328 O ALA A 25 -4.635 -12.165 4.149 1.00 0.00 O ATOM 329 CB ALA A 25 -6.540 -11.068 6.566 1.00 0.00 C ATOM 0 H ALA A 25 -8.185 -9.877 5.178 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.425 -9.965 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.662 -11.548 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.786 -10.176 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.382 -11.760 6.593 1.00 0.00 H new ATOM 335 N LYS A 26 -6.809 -12.647 3.824 1.00 0.00 N ATOM 336 CA LYS A 26 -6.541 -13.842 3.036 1.00 0.00 C ATOM 337 C LYS A 26 -5.452 -13.579 2.001 1.00 0.00 C ATOM 338 O LYS A 26 -4.675 -14.473 1.661 1.00 0.00 O ATOM 339 CB LYS A 26 -7.818 -14.316 2.338 1.00 0.00 C ATOM 340 CG LYS A 26 -8.228 -13.445 1.163 1.00 0.00 C ATOM 341 CD LYS A 26 -9.724 -13.519 0.909 1.00 0.00 C ATOM 342 CE LYS A 26 -10.091 -12.918 -0.440 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.565 -12.808 -0.615 1.00 0.00 N ATOM 0 H LYS A 26 -7.800 -12.443 3.956 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.194 -14.622 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.673 -15.338 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.631 -14.339 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.942 -12.411 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.690 -13.762 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.049 -14.559 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.255 -12.990 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.640 -11.930 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.676 -13.534 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.774 -12.394 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.994 -13.754 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.959 -12.199 0.131 1.00 0.00 H new ATOM 357 N LEU A 27 -5.399 -12.348 1.505 1.00 0.00 N ATOM 358 CA LEU A 27 -4.404 -11.966 0.509 1.00 0.00 C ATOM 359 C LEU A 27 -3.109 -11.516 1.179 1.00 0.00 C ATOM 360 O LEU A 27 -2.015 -11.765 0.671 1.00 0.00 O ATOM 361 CB LEU A 27 -4.946 -10.847 -0.380 1.00 0.00 C ATOM 362 CG LEU A 27 -6.129 -11.215 -1.277 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.595 -10.005 -2.071 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.754 -12.357 -2.212 1.00 0.00 C ATOM 0 H LEU A 27 -6.034 -11.597 1.776 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.189 -12.839 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.245 -10.016 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.134 -10.487 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.952 -11.545 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.437 -10.287 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.904 -9.217 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.778 -9.643 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.607 -12.606 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.915 -12.054 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.470 -13.230 -1.624 1.00 0.00 H new ATOM 376 N HIS A 28 -3.240 -10.853 2.324 1.00 0.00 N ATOM 377 CA HIS A 28 -2.080 -10.371 3.065 1.00 0.00 C ATOM 378 C HIS A 28 -0.955 -11.401 3.045 1.00 0.00 C ATOM 379 O HIS A 28 0.140 -11.128 2.556 1.00 0.00 O ATOM 380 CB HIS A 28 -2.468 -10.051 4.509 1.00 0.00 C ATOM 381 CG HIS A 28 -3.315 -8.823 4.644 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.629 -8.255 5.860 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.913 -8.052 3.705 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.384 -7.189 5.665 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.571 -7.044 4.364 1.00 0.00 N ATOM 0 H HIS A 28 -4.137 -10.638 2.758 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.724 -9.461 2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.006 -10.901 4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.561 -9.924 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.879 -8.202 2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.781 -6.546 6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.116 -6.303 3.922 1.00 0.00 H new ATOM 393 N ASN A 29 -1.234 -12.585 3.580 1.00 0.00 N ATOM 394 CA ASN A 29 -0.245 -13.656 3.624 1.00 0.00 C ATOM 395 C ASN A 29 0.308 -13.944 2.231 1.00 0.00 C ATOM 396 O ASN A 29 1.515 -14.106 2.052 1.00 0.00 O ATOM 397 CB ASN A 29 -0.863 -14.926 4.212 1.00 0.00 C ATOM 398 CG ASN A 29 -1.363 -14.723 5.630 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.512 -13.591 6.091 1.00 0.00 O ATOM 400 ND2 ASN A 29 -1.624 -15.821 6.327 1.00 0.00 N ATOM 0 H ASN A 29 -2.136 -12.827 3.989 1.00 0.00 H new ATOM 0 HA ASN A 29 0.577 -13.331 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.690 -15.250 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.122 -15.726 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.963 -15.748 7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.486 -16.739 5.904 1.00 0.00 H new ATOM 407 N SER A 30 -0.584 -14.006 1.248 1.00 0.00 N ATOM 408 CA SER A 30 -0.187 -14.277 -0.129 1.00 0.00 C ATOM 409 C SER A 30 0.823 -13.243 -0.617 1.00 0.00 C ATOM 410 O SER A 30 1.942 -13.585 -1.003 1.00 0.00 O ATOM 411 CB SER A 30 -1.413 -14.281 -1.044 1.00 0.00 C ATOM 412 OG SER A 30 -2.108 -15.513 -0.961 1.00 0.00 O ATOM 0 H SER A 30 -1.587 -13.872 1.379 1.00 0.00 H new ATOM 0 HA SER A 30 0.283 -15.260 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.080 -13.464 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.103 -14.104 -2.074 1.00 0.00 H new ATOM 0 HG SER A 30 -2.888 -15.489 -1.554 1.00 0.00 H new ATOM 418 N LEU A 31 0.421 -11.977 -0.596 1.00 0.00 N ATOM 419 CA LEU A 31 1.289 -10.891 -1.036 1.00 0.00 C ATOM 420 C LEU A 31 2.582 -10.866 -0.227 1.00 0.00 C ATOM 421 O LEU A 31 3.676 -10.968 -0.784 1.00 0.00 O ATOM 422 CB LEU A 31 0.567 -9.549 -0.906 1.00 0.00 C ATOM 423 CG LEU A 31 -0.240 -9.101 -2.124 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.422 -8.245 -1.695 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.643 -8.340 -3.101 1.00 0.00 C ATOM 0 H LEU A 31 -0.501 -11.677 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 31 1.540 -11.061 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.105 -9.602 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.307 -8.781 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.622 -9.989 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.985 -7.935 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.069 -8.823 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.060 -7.363 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.050 -8.030 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.056 -7.460 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.456 -8.985 -3.434 1.00 0.00 H new ATOM 437 N ILE A 32 2.449 -10.733 1.088 1.00 0.00 N ATOM 438 CA ILE A 32 3.606 -10.698 1.974 1.00 0.00 C ATOM 439 C ILE A 32 4.531 -11.883 1.716 1.00 0.00 C ATOM 440 O ILE A 32 5.753 -11.755 1.774 1.00 0.00 O ATOM 441 CB ILE A 32 3.183 -10.704 3.454 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.261 -9.519 3.749 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.407 -10.666 4.356 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.359 -9.737 4.943 1.00 0.00 C ATOM 0 H ILE A 32 1.551 -10.648 1.564 1.00 0.00 H new ATOM 0 HA ILE A 32 4.138 -9.771 1.761 1.00 0.00 H new ATOM 0 HB ILE A 32 2.636 -11.625 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.869 -8.630 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.646 -9.320 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.091 -10.671 5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.029 -11.539 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.979 -9.761 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.734 -8.857 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.725 -10.606 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.967 -9.906 5.832 1.00 0.00 H new ATOM 456 N GLY A 33 3.937 -13.038 1.429 1.00 0.00 N ATOM 457 CA GLY A 33 4.723 -14.230 1.166 1.00 0.00 C ATOM 458 C GLY A 33 4.871 -15.110 2.390 1.00 0.00 C ATOM 459 O GLY A 33 4.027 -15.087 3.287 1.00 0.00 O ATOM 0 H GLY A 33 2.927 -13.169 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.253 -14.802 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.711 -13.938 0.811 1.00 0.00 H new ATOM 463 N THR A 34 5.947 -15.891 2.430 1.00 0.00 N ATOM 464 CA THR A 34 6.201 -16.784 3.553 1.00 0.00 C ATOM 465 C THR A 34 6.731 -16.016 4.758 1.00 0.00 C ATOM 466 O THR A 34 6.289 -16.232 5.887 1.00 0.00 O ATOM 467 CB THR A 34 7.211 -17.885 3.176 1.00 0.00 C ATOM 468 OG1 THR A 34 7.409 -18.768 4.286 1.00 0.00 O ATOM 469 CG2 THR A 34 8.543 -17.279 2.761 1.00 0.00 C ATOM 0 H THR A 34 6.656 -15.923 1.697 1.00 0.00 H new ATOM 0 HA THR A 34 5.248 -17.246 3.811 1.00 0.00 H new ATOM 0 HB THR A 34 6.806 -18.445 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.051 -19.466 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.239 -18.076 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.394 -16.629 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.951 -16.697 3.587 1.00 0.00 H new ATOM 477 N LYS A 35 7.678 -15.118 4.513 1.00 0.00 N ATOM 478 CA LYS A 35 8.267 -14.315 5.578 1.00 0.00 C ATOM 479 C LYS A 35 7.987 -12.832 5.359 1.00 0.00 C ATOM 480 O LYS A 35 7.517 -12.139 6.261 1.00 0.00 O ATOM 481 CB LYS A 35 9.777 -14.554 5.650 1.00 0.00 C ATOM 482 CG LYS A 35 10.150 -15.978 6.026 1.00 0.00 C ATOM 483 CD LYS A 35 10.307 -16.135 7.529 1.00 0.00 C ATOM 484 CE LYS A 35 9.013 -16.599 8.179 1.00 0.00 C ATOM 485 NZ LYS A 35 8.874 -16.084 9.569 1.00 0.00 N ATOM 0 H LYS A 35 8.055 -14.927 3.585 1.00 0.00 H new ATOM 0 HA LYS A 35 7.812 -14.618 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.221 -14.314 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.211 -13.869 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.383 -16.663 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.081 -16.254 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.099 -16.853 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.614 -15.184 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.166 -16.263 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.983 -17.689 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.979 -16.423 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.669 -16.425 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.877 -15.044 9.556 1.00 0.00 H new ATOM 499 N GLY A 36 8.277 -12.350 4.154 1.00 0.00 N ATOM 500 CA GLY A 36 8.048 -10.952 3.839 1.00 0.00 C ATOM 501 C GLY A 36 9.006 -10.430 2.787 1.00 0.00 C ATOM 502 O GLY A 36 9.458 -9.287 2.862 1.00 0.00 O ATOM 0 H GLY A 36 8.666 -12.903 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.024 -10.825 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.150 -10.357 4.746 1.00 0.00 H new ATOM 506 N ARG A 37 9.319 -11.269 1.805 1.00 0.00 N ATOM 507 CA ARG A 37 10.233 -10.887 0.735 1.00 0.00 C ATOM 508 C ARG A 37 9.481 -10.201 -0.402 1.00 0.00 C ATOM 509 O ARG A 37 9.918 -9.171 -0.916 1.00 0.00 O ATOM 510 CB ARG A 37 10.973 -12.116 0.204 1.00 0.00 C ATOM 511 CG ARG A 37 10.068 -13.115 -0.499 1.00 0.00 C ATOM 512 CD ARG A 37 10.789 -14.427 -0.767 1.00 0.00 C ATOM 513 NE ARG A 37 11.934 -14.250 -1.655 1.00 0.00 N ATOM 514 CZ ARG A 37 12.623 -15.259 -2.176 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.284 -16.511 -1.899 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.654 -15.019 -2.977 1.00 0.00 N ATOM 0 H ARG A 37 8.953 -12.218 1.728 1.00 0.00 H new ATOM 0 HA ARG A 37 10.959 -10.184 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.749 -11.791 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.475 -12.614 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.186 -13.302 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.719 -12.691 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.125 -14.855 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.093 -15.139 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 37 12.221 -13.299 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.492 -16.701 -1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.815 -17.284 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.919 -14.058 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.182 -15.796 -3.376 1.00 0.00 H new ATOM 530 N LEU A 38 8.350 -10.780 -0.790 1.00 0.00 N ATOM 531 CA LEU A 38 7.538 -10.225 -1.868 1.00 0.00 C ATOM 532 C LEU A 38 7.173 -8.772 -1.582 1.00 0.00 C ATOM 533 O LEU A 38 7.030 -7.966 -2.501 1.00 0.00 O ATOM 534 CB LEU A 38 6.266 -11.055 -2.053 1.00 0.00 C ATOM 535 CG LEU A 38 6.363 -12.222 -3.037 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.542 -11.707 -4.457 1.00 0.00 C ATOM 537 CD2 LEU A 38 7.507 -13.148 -2.655 1.00 0.00 C ATOM 0 H LEU A 38 7.974 -11.633 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 38 8.124 -10.259 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.969 -11.449 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.468 -10.391 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 38 5.434 -12.790 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.609 -12.550 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.689 -11.085 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.456 -11.116 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.561 -13.972 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.445 -12.593 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.336 -13.543 -1.654 1.00 0.00 H new ATOM 549 N ILE A 39 7.029 -8.444 -0.303 1.00 0.00 N ATOM 550 CA ILE A 39 6.684 -7.087 0.103 1.00 0.00 C ATOM 551 C ILE A 39 7.936 -6.264 0.385 1.00 0.00 C ATOM 552 O ILE A 39 8.016 -5.091 0.017 1.00 0.00 O ATOM 553 CB ILE A 39 5.790 -7.085 1.358 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.366 -7.510 0.994 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.789 -5.708 2.005 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.584 -6.442 0.262 1.00 0.00 C ATOM 0 H ILE A 39 7.146 -9.099 0.470 1.00 0.00 H new ATOM 0 HA ILE A 39 6.135 -6.639 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 39 6.192 -7.801 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.410 -8.405 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.832 -7.779 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.153 -5.722 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.806 -5.441 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.407 -4.973 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.584 -6.813 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.508 -5.553 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.095 -6.189 -0.667 1.00 0.00 H new ATOM 568 N ARG A 40 8.914 -6.886 1.036 1.00 0.00 N ATOM 569 CA ARG A 40 10.163 -6.211 1.367 1.00 0.00 C ATOM 570 C ARG A 40 10.838 -5.671 0.108 1.00 0.00 C ATOM 571 O ARG A 40 11.419 -4.587 0.120 1.00 0.00 O ATOM 572 CB ARG A 40 11.107 -7.167 2.095 1.00 0.00 C ATOM 573 CG ARG A 40 10.894 -7.206 3.600 1.00 0.00 C ATOM 574 CD ARG A 40 11.565 -6.028 4.288 1.00 0.00 C ATOM 575 NE ARG A 40 11.200 -5.937 5.699 1.00 0.00 N ATOM 576 CZ ARG A 40 11.940 -5.316 6.611 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.080 -4.734 6.261 1.00 0.00 N ATOM 578 NH2 ARG A 40 11.541 -5.276 7.876 1.00 0.00 N ATOM 0 H ARG A 40 8.865 -7.857 1.345 1.00 0.00 H new ATOM 0 HA ARG A 40 9.931 -5.372 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.975 -8.171 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.137 -6.874 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.826 -7.196 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.292 -8.138 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.647 -6.125 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.285 -5.105 3.781 1.00 0.00 H new ATOM 0 HE ARG A 40 10.329 -6.374 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.390 -4.763 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.646 -4.258 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.665 -5.722 8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.110 -4.799 8.575 1.00 0.00 H new ATOM 592 N SER A 41 10.757 -6.438 -0.974 1.00 0.00 N ATOM 593 CA SER A 41 11.365 -6.041 -2.239 1.00 0.00 C ATOM 594 C SER A 41 10.667 -4.811 -2.813 1.00 0.00 C ATOM 595 O SER A 41 11.318 -3.886 -3.301 1.00 0.00 O ATOM 596 CB SER A 41 11.301 -7.192 -3.245 1.00 0.00 C ATOM 597 OG SER A 41 12.214 -8.220 -2.899 1.00 0.00 O ATOM 0 H SER A 41 10.277 -7.337 -1.001 1.00 0.00 H new ATOM 0 HA SER A 41 12.409 -5.792 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.289 -7.595 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.528 -6.820 -4.244 1.00 0.00 H new ATOM 0 HG SER A 41 11.812 -8.798 -2.217 1.00 0.00 H new ATOM 603 N ILE A 42 9.340 -4.808 -2.752 1.00 0.00 N ATOM 604 CA ILE A 42 8.554 -3.692 -3.264 1.00 0.00 C ATOM 605 C ILE A 42 8.883 -2.402 -2.521 1.00 0.00 C ATOM 606 O ILE A 42 9.114 -1.362 -3.136 1.00 0.00 O ATOM 607 CB ILE A 42 7.044 -3.968 -3.148 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.671 -5.229 -3.931 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.247 -2.773 -3.648 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.266 -5.718 -3.657 1.00 0.00 C ATOM 0 H ILE A 42 8.786 -5.566 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 42 8.814 -3.578 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 42 6.800 -4.130 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.776 -5.029 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.377 -6.022 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.181 -2.984 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.494 -1.895 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.494 -2.582 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.071 -6.614 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.162 -5.950 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.551 -4.942 -3.930 1.00 0.00 H new ATOM 622 N MET A 43 8.902 -2.478 -1.194 1.00 0.00 N ATOM 623 CA MET A 43 9.205 -1.316 -0.367 1.00 0.00 C ATOM 624 C MET A 43 10.477 -0.624 -0.847 1.00 0.00 C ATOM 625 O MET A 43 10.588 0.600 -0.791 1.00 0.00 O ATOM 626 CB MET A 43 9.357 -1.731 1.097 1.00 0.00 C ATOM 627 CG MET A 43 8.051 -2.157 1.747 1.00 0.00 C ATOM 628 SD MET A 43 8.034 -1.868 3.526 1.00 0.00 S ATOM 629 CE MET A 43 9.195 -3.112 4.083 1.00 0.00 C ATOM 0 H MET A 43 8.711 -3.331 -0.669 1.00 0.00 H new ATOM 0 HA MET A 43 8.376 -0.614 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.070 -2.553 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.779 -0.899 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.226 -1.613 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.882 -3.216 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.292 -3.059 5.167 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.834 -4.100 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.167 -2.935 3.622 1.00 0.00 H new ATOM 639 N GLU A 44 11.436 -1.418 -1.317 1.00 0.00 N ATOM 640 CA GLU A 44 12.700 -0.880 -1.805 1.00 0.00 C ATOM 641 C GLU A 44 12.581 -0.445 -3.263 1.00 0.00 C ATOM 642 O GLU A 44 12.980 0.661 -3.626 1.00 0.00 O ATOM 643 CB GLU A 44 13.812 -1.922 -1.662 1.00 0.00 C ATOM 644 CG GLU A 44 15.191 -1.317 -1.466 1.00 0.00 C ATOM 645 CD GLU A 44 15.447 -0.899 -0.031 1.00 0.00 C ATOM 646 OE1 GLU A 44 14.963 0.181 0.368 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.130 -1.652 0.695 1.00 0.00 O ATOM 0 H GLU A 44 11.361 -2.434 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 44 12.950 -0.006 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.585 -2.570 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.824 -2.552 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.947 -2.041 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.299 -0.450 -2.118 1.00 0.00 H new ATOM 654 N GLU A 45 12.029 -1.325 -4.093 1.00 0.00 N ATOM 655 CA GLU A 45 11.859 -1.033 -5.512 1.00 0.00 C ATOM 656 C GLU A 45 11.166 0.312 -5.711 1.00 0.00 C ATOM 657 O GLU A 45 11.595 1.129 -6.526 1.00 0.00 O ATOM 658 CB GLU A 45 11.052 -2.141 -6.190 1.00 0.00 C ATOM 659 CG GLU A 45 11.827 -3.435 -6.373 1.00 0.00 C ATOM 660 CD GLU A 45 11.307 -4.268 -7.529 1.00 0.00 C ATOM 661 OE1 GLU A 45 10.291 -4.969 -7.345 1.00 0.00 O ATOM 662 OE2 GLU A 45 11.918 -4.218 -8.617 1.00 0.00 O ATOM 0 H GLU A 45 11.692 -2.245 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 45 12.848 -0.983 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.159 -2.343 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.715 -1.789 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.879 -3.204 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.772 -4.020 -5.455 1.00 0.00 H new ATOM 669 N CYS A 46 10.093 0.534 -4.961 1.00 0.00 N ATOM 670 CA CYS A 46 9.338 1.778 -5.054 1.00 0.00 C ATOM 671 C CYS A 46 10.197 2.968 -4.638 1.00 0.00 C ATOM 672 O CYS A 46 10.230 3.991 -5.319 1.00 0.00 O ATOM 673 CB CYS A 46 8.086 1.707 -4.180 1.00 0.00 C ATOM 674 SG CYS A 46 8.413 1.271 -2.456 1.00 0.00 S ATOM 0 H CYS A 46 9.726 -0.132 -4.281 1.00 0.00 H new ATOM 0 HA CYS A 46 9.038 1.915 -6.093 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.580 2.672 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.400 0.974 -4.605 1.00 0.00 H new ATOM 0 HG CYS A 46 8.601 -0.012 -2.361 1.00 0.00 H new ATOM 680 N GLY A 47 10.891 2.825 -3.512 1.00 0.00 N ATOM 681 CA GLY A 47 11.739 3.896 -3.023 1.00 0.00 C ATOM 682 C GLY A 47 12.138 3.704 -1.574 1.00 0.00 C ATOM 683 O GLY A 47 13.259 4.022 -1.183 1.00 0.00 O ATOM 0 H GLY A 47 10.881 1.987 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.636 3.955 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.216 4.847 -3.130 1.00 0.00 H new ATOM 687 N GLY A 48 11.214 3.182 -0.771 1.00 0.00 N ATOM 688 CA GLY A 48 11.493 2.959 0.635 1.00 0.00 C ATOM 689 C GLY A 48 10.303 3.275 1.520 1.00 0.00 C ATOM 690 O GLY A 48 10.448 3.908 2.565 1.00 0.00 O ATOM 0 H GLY A 48 10.278 2.910 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.786 1.920 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.340 3.576 0.936 1.00 0.00 H new ATOM 694 N VAL A 49 9.121 2.834 1.099 1.00 0.00 N ATOM 695 CA VAL A 49 7.901 3.073 1.860 1.00 0.00 C ATOM 696 C VAL A 49 7.633 1.937 2.841 1.00 0.00 C ATOM 697 O VAL A 49 8.132 0.824 2.670 1.00 0.00 O ATOM 698 CB VAL A 49 6.682 3.233 0.931 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.904 4.375 -0.049 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.401 1.932 0.194 1.00 0.00 C ATOM 0 H VAL A 49 8.983 2.309 0.235 1.00 0.00 H new ATOM 0 HA VAL A 49 8.050 4.000 2.414 1.00 0.00 H new ATOM 0 HB VAL A 49 5.811 3.474 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.033 4.473 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.053 5.304 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.786 4.168 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.537 2.062 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.270 1.658 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.195 1.142 0.916 1.00 0.00 H new ATOM 710 N HIS A 50 6.843 2.225 3.870 1.00 0.00 N ATOM 711 CA HIS A 50 6.506 1.227 4.879 1.00 0.00 C ATOM 712 C HIS A 50 5.030 0.850 4.800 1.00 0.00 C ATOM 713 O HIS A 50 4.155 1.709 4.907 1.00 0.00 O ATOM 714 CB HIS A 50 6.838 1.752 6.276 1.00 0.00 C ATOM 715 CG HIS A 50 8.240 2.261 6.408 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.034 2.908 5.523 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 8.986 2.124 7.559 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.231 3.149 6.150 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.176 2.667 7.378 1.00 0.00 N flip ATOM 0 H HIS A 50 6.424 3.142 4.027 1.00 0.00 H new ATOM 0 HA HIS A 50 7.100 0.334 4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.144 2.554 6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.680 0.954 7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.650 1.647 8.468 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.080 3.651 5.710 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.925 2.707 8.069 1.00 0.00 H new ATOM 727 N ILE A 51 4.762 -0.437 4.613 1.00 0.00 N ATOM 728 CA ILE A 51 3.392 -0.926 4.521 1.00 0.00 C ATOM 729 C ILE A 51 2.942 -1.551 5.837 1.00 0.00 C ATOM 730 O ILE A 51 3.738 -2.160 6.552 1.00 0.00 O ATOM 731 CB ILE A 51 3.240 -1.965 3.394 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.826 -1.424 2.088 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.775 -2.335 3.209 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.313 -2.506 1.150 1.00 0.00 C ATOM 0 H ILE A 51 5.475 -1.160 4.522 1.00 0.00 H new ATOM 0 HA ILE A 51 2.763 -0.064 4.297 1.00 0.00 H new ATOM 0 HB ILE A 51 3.790 -2.864 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.069 -0.827 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.655 -0.756 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.684 -3.070 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.386 -2.757 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.205 -1.443 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.715 -2.050 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.093 -3.088 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.482 -3.161 0.887 1.00 0.00 H new ATOM 746 N HIS A 52 1.659 -1.397 6.151 1.00 0.00 N ATOM 747 CA HIS A 52 1.102 -1.948 7.380 1.00 0.00 C ATOM 748 C HIS A 52 0.221 -3.158 7.084 1.00 0.00 C ATOM 749 O HIS A 52 -0.717 -3.077 6.290 1.00 0.00 O ATOM 750 CB HIS A 52 0.292 -0.883 8.120 1.00 0.00 C ATOM 751 CG HIS A 52 1.134 0.066 8.916 1.00 0.00 C ATOM 752 ND1 HIS A 52 1.418 -0.120 10.253 1.00 0.00 N ATOM 753 CD2 HIS A 52 1.757 1.213 8.555 1.00 0.00 C ATOM 754 CE1 HIS A 52 2.179 0.873 10.681 1.00 0.00 C ATOM 755 NE2 HIS A 52 2.398 1.695 9.670 1.00 0.00 N ATOM 0 H HIS A 52 0.987 -0.895 5.571 1.00 0.00 H new ATOM 0 HA HIS A 52 1.930 -2.269 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.294 -0.316 7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.415 -1.375 8.787 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.092 -0.901 10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.751 1.664 7.574 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.557 0.992 11.686 1.00 0.00 H new ATOM 763 N PHE A 53 0.530 -4.280 7.725 1.00 0.00 N ATOM 764 CA PHE A 53 -0.232 -5.508 7.528 1.00 0.00 C ATOM 765 C PHE A 53 -0.601 -6.140 8.866 1.00 0.00 C ATOM 766 O PHE A 53 0.196 -6.838 9.493 1.00 0.00 O ATOM 767 CB PHE A 53 0.572 -6.502 6.686 1.00 0.00 C ATOM 768 CG PHE A 53 0.361 -6.343 5.207 1.00 0.00 C ATOM 769 CD1 PHE A 53 -0.798 -6.805 4.605 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.323 -5.731 4.419 1.00 0.00 C ATOM 771 CE1 PHE A 53 -0.993 -6.660 3.245 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.132 -5.583 3.058 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.028 -6.047 2.471 1.00 0.00 C ATOM 0 H PHE A 53 1.303 -4.365 8.385 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.152 -5.255 7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.632 -6.381 6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.299 -7.516 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.557 -7.284 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.232 -5.366 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.900 -7.026 2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.889 -5.105 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.180 -5.931 1.408 1.00 0.00 H new ATOM 783 N PRO A 54 -1.839 -5.889 9.317 1.00 0.00 N ATOM 784 CA PRO A 54 -2.344 -6.423 10.586 1.00 0.00 C ATOM 785 C PRO A 54 -2.562 -7.932 10.533 1.00 0.00 C ATOM 786 O PRO A 54 -2.948 -8.478 9.500 1.00 0.00 O ATOM 787 CB PRO A 54 -3.677 -5.695 10.772 1.00 0.00 C ATOM 788 CG PRO A 54 -4.106 -5.332 9.392 1.00 0.00 C ATOM 789 CD PRO A 54 -2.842 -5.065 8.622 1.00 0.00 C ATOM 0 HA PRO A 54 -1.641 -6.266 11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.413 -6.334 11.260 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.561 -4.809 11.396 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.678 -6.140 8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.750 -4.453 9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.941 -5.351 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.576 -4.008 8.640 1.00 0.00 H new ATOM 797 N VAL A 55 -2.314 -8.600 11.654 1.00 0.00 N ATOM 798 CA VAL A 55 -2.485 -10.046 11.736 1.00 0.00 C ATOM 799 C VAL A 55 -3.854 -10.468 11.213 1.00 0.00 C ATOM 800 O VAL A 55 -4.805 -9.688 11.237 1.00 0.00 O ATOM 801 CB VAL A 55 -2.323 -10.549 13.183 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.469 -10.052 14.053 1.00 0.00 C ATOM 803 CG2 VAL A 55 -2.241 -12.068 13.212 1.00 0.00 C ATOM 0 H VAL A 55 -1.994 -8.163 12.519 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.709 -10.492 11.115 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.393 -10.149 13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.338 -10.417 15.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.477 -8.962 14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.414 -10.420 13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.127 -12.407 14.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.153 -12.490 12.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.384 -12.397 12.625 1.00 0.00 H new ATOM 813 N GLU A 56 -3.945 -11.706 10.741 1.00 0.00 N ATOM 814 CA GLU A 56 -5.198 -12.232 10.213 1.00 0.00 C ATOM 815 C GLU A 56 -6.253 -12.334 11.310 1.00 0.00 C ATOM 816 O GLU A 56 -7.403 -11.944 11.119 1.00 0.00 O ATOM 817 CB GLU A 56 -4.973 -13.606 9.577 1.00 0.00 C ATOM 818 CG GLU A 56 -4.327 -14.612 10.515 1.00 0.00 C ATOM 819 CD GLU A 56 -4.135 -15.970 9.870 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.120 -16.039 8.623 1.00 0.00 O ATOM 821 OE2 GLU A 56 -4.000 -16.965 10.612 1.00 0.00 O ATOM 0 H GLU A 56 -3.166 -12.364 10.713 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.558 -11.541 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.930 -14.001 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.345 -13.490 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.360 -14.229 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.945 -14.721 11.406 1.00 0.00 H new ATOM 828 N GLY A 57 -5.849 -12.861 12.462 1.00 0.00 N ATOM 829 CA GLY A 57 -6.771 -13.006 13.575 1.00 0.00 C ATOM 830 C GLY A 57 -7.451 -11.701 13.937 1.00 0.00 C ATOM 831 O GLY A 57 -8.670 -11.654 14.105 1.00 0.00 O ATOM 0 H GLY A 57 -4.901 -13.190 12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.528 -13.749 13.322 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.231 -13.384 14.443 1.00 0.00 H new ATOM 835 N SER A 58 -6.662 -10.639 14.060 1.00 0.00 N ATOM 836 CA SER A 58 -7.195 -9.328 14.412 1.00 0.00 C ATOM 837 C SER A 58 -8.451 -9.017 13.603 1.00 0.00 C ATOM 838 O SER A 58 -9.419 -8.467 14.125 1.00 0.00 O ATOM 839 CB SER A 58 -6.141 -8.245 14.174 1.00 0.00 C ATOM 840 OG SER A 58 -6.667 -6.955 14.435 1.00 0.00 O ATOM 0 H SER A 58 -5.652 -10.660 13.921 1.00 0.00 H new ATOM 0 HA SER A 58 -7.459 -9.343 15.469 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.278 -8.426 14.815 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.789 -8.296 13.144 1.00 0.00 H new ATOM 0 HG SER A 58 -5.973 -6.281 14.277 1.00 0.00 H new ATOM 846 N GLY A 59 -8.426 -9.375 12.323 1.00 0.00 N ATOM 847 CA GLY A 59 -9.567 -9.127 11.461 1.00 0.00 C ATOM 848 C GLY A 59 -9.544 -7.738 10.853 1.00 0.00 C ATOM 849 O GLY A 59 -10.592 -7.128 10.643 1.00 0.00 O ATOM 0 H GLY A 59 -7.636 -9.832 11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.584 -9.869 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.486 -9.254 12.034 1.00 0.00 H new ATOM 853 N SER A 60 -8.345 -7.238 10.570 1.00 0.00 N ATOM 854 CA SER A 60 -8.189 -5.911 9.987 1.00 0.00 C ATOM 855 C SER A 60 -7.812 -6.006 8.512 1.00 0.00 C ATOM 856 O SER A 60 -6.691 -6.383 8.169 1.00 0.00 O ATOM 857 CB SER A 60 -7.123 -5.119 10.747 1.00 0.00 C ATOM 858 OG SER A 60 -6.915 -3.847 10.159 1.00 0.00 O ATOM 0 H SER A 60 -7.468 -7.732 10.735 1.00 0.00 H new ATOM 0 HA SER A 60 -9.144 -5.392 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.429 -4.997 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.187 -5.677 10.754 1.00 0.00 H new ATOM 0 HG SER A 60 -6.230 -3.361 10.665 1.00 0.00 H new ATOM 864 N ASP A 61 -8.756 -5.662 7.644 1.00 0.00 N ATOM 865 CA ASP A 61 -8.525 -5.706 6.204 1.00 0.00 C ATOM 866 C ASP A 61 -8.152 -4.326 5.670 1.00 0.00 C ATOM 867 O ASP A 61 -8.633 -3.905 4.618 1.00 0.00 O ATOM 868 CB ASP A 61 -9.768 -6.228 5.482 1.00 0.00 C ATOM 869 CG ASP A 61 -11.029 -5.496 5.899 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.661 -5.922 6.889 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.385 -4.500 5.237 1.00 0.00 O ATOM 0 H ASP A 61 -9.689 -5.349 7.912 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.693 -6.385 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.630 -6.124 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.884 -7.292 5.687 1.00 0.00 H new ATOM 876 N THR A 62 -7.294 -3.625 6.405 1.00 0.00 N ATOM 877 CA THR A 62 -6.858 -2.293 6.007 1.00 0.00 C ATOM 878 C THR A 62 -5.338 -2.182 6.025 1.00 0.00 C ATOM 879 O THR A 62 -4.708 -2.304 7.076 1.00 0.00 O ATOM 880 CB THR A 62 -7.450 -1.210 6.929 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.871 -1.151 6.764 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.843 0.152 6.624 1.00 0.00 C ATOM 0 H THR A 62 -6.888 -3.958 7.279 1.00 0.00 H new ATOM 0 HA THR A 62 -7.219 -2.134 4.991 1.00 0.00 H new ATOM 0 HB THR A 62 -7.214 -1.473 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.241 -0.462 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.276 0.900 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.765 0.112 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.053 0.420 5.589 1.00 0.00 H new ATOM 890 N VAL A 63 -4.752 -1.952 4.854 1.00 0.00 N ATOM 891 CA VAL A 63 -3.304 -1.823 4.735 1.00 0.00 C ATOM 892 C VAL A 63 -2.884 -0.359 4.684 1.00 0.00 C ATOM 893 O VAL A 63 -3.171 0.346 3.715 1.00 0.00 O ATOM 894 CB VAL A 63 -2.778 -2.542 3.479 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.267 -2.399 3.375 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.182 -4.009 3.495 1.00 0.00 C ATOM 0 H VAL A 63 -5.258 -1.851 3.974 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.871 -2.290 5.620 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.225 -2.075 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.913 -2.913 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.005 -1.343 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.798 -2.838 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.802 -4.501 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.765 -4.492 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.269 -4.087 3.518 1.00 0.00 H new ATOM 906 N VAL A 64 -2.204 0.094 5.731 1.00 0.00 N ATOM 907 CA VAL A 64 -1.743 1.476 5.805 1.00 0.00 C ATOM 908 C VAL A 64 -0.312 1.605 5.292 1.00 0.00 C ATOM 909 O VAL A 64 0.606 0.981 5.823 1.00 0.00 O ATOM 910 CB VAL A 64 -1.811 2.013 7.246 1.00 0.00 C ATOM 911 CG1 VAL A 64 -0.982 3.282 7.383 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.254 2.263 7.654 1.00 0.00 C ATOM 0 H VAL A 64 -1.959 -0.476 6.541 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.407 2.067 5.174 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.394 1.261 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.042 3.647 8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.057 3.066 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.367 4.043 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.283 2.642 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.700 2.996 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.815 1.330 7.597 1.00 0.00 H new ATOM 922 N ILE A 65 -0.133 2.421 4.259 1.00 0.00 N ATOM 923 CA ILE A 65 1.186 2.634 3.676 1.00 0.00 C ATOM 924 C ILE A 65 1.688 4.047 3.953 1.00 0.00 C ATOM 925 O ILE A 65 0.972 5.024 3.736 1.00 0.00 O ATOM 926 CB ILE A 65 1.174 2.395 2.154 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.662 0.988 1.840 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.566 2.599 1.575 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.521 0.712 0.360 1.00 0.00 C ATOM 0 H ILE A 65 -0.884 2.945 3.809 1.00 0.00 H new ATOM 0 HA ILE A 65 1.858 1.914 4.144 1.00 0.00 H new ATOM 0 HB ILE A 65 0.500 3.117 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.344 0.257 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.306 0.847 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.541 2.427 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.896 3.619 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.259 1.898 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.154 -0.304 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.184 1.420 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.491 0.821 -0.124 1.00 0.00 H new ATOM 941 N ARG A 66 2.923 4.146 4.434 1.00 0.00 N ATOM 942 CA ARG A 66 3.521 5.439 4.741 1.00 0.00 C ATOM 943 C ARG A 66 4.771 5.675 3.897 1.00 0.00 C ATOM 944 O ARG A 66 5.397 4.729 3.420 1.00 0.00 O ATOM 945 CB ARG A 66 3.875 5.522 6.228 1.00 0.00 C ATOM 946 CG ARG A 66 2.761 6.097 7.086 1.00 0.00 C ATOM 947 CD ARG A 66 3.022 5.864 8.566 1.00 0.00 C ATOM 948 NE ARG A 66 3.792 4.645 8.801 1.00 0.00 N ATOM 949 CZ ARG A 66 5.119 4.594 8.756 1.00 0.00 C ATOM 950 NH1 ARG A 66 5.819 5.687 8.486 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.748 3.448 8.980 1.00 0.00 N ATOM 0 H ARG A 66 3.528 3.346 4.619 1.00 0.00 H new ATOM 0 HA ARG A 66 2.791 6.213 4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.123 4.524 6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.768 6.136 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.668 7.166 6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.812 5.640 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.560 6.718 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.072 5.800 9.096 1.00 0.00 H new ATOM 0 HE ARG A 66 3.283 3.786 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.339 6.570 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.838 5.645 8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.213 2.605 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.767 3.410 8.945 1.00 0.00 H new ATOM 965 N GLY A 67 5.127 6.943 3.716 1.00 0.00 N ATOM 966 CA GLY A 67 6.298 7.280 2.929 1.00 0.00 C ATOM 967 C GLY A 67 6.028 8.390 1.933 1.00 0.00 C ATOM 968 O GLY A 67 4.995 9.058 1.980 1.00 0.00 O ATOM 0 H GLY A 67 4.625 7.743 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.105 7.583 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.641 6.393 2.396 1.00 0.00 H new ATOM 972 N PRO A 68 6.974 8.602 1.006 1.00 0.00 N ATOM 973 CA PRO A 68 6.857 9.639 -0.022 1.00 0.00 C ATOM 974 C PRO A 68 5.781 9.315 -1.053 1.00 0.00 C ATOM 975 O PRO A 68 5.907 8.355 -1.814 1.00 0.00 O ATOM 976 CB PRO A 68 8.240 9.648 -0.678 1.00 0.00 C ATOM 977 CG PRO A 68 8.781 8.280 -0.440 1.00 0.00 C ATOM 978 CD PRO A 68 8.232 7.843 0.891 1.00 0.00 C ATOM 0 HA PRO A 68 6.565 10.600 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.171 9.867 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.882 10.410 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.475 7.596 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.871 8.288 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.057 6.768 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.918 8.076 1.705 1.00 0.00 H new ATOM 986 N SER A 69 4.724 10.120 -1.072 1.00 0.00 N ATOM 987 CA SER A 69 3.624 9.915 -2.009 1.00 0.00 C ATOM 988 C SER A 69 4.137 9.374 -3.340 1.00 0.00 C ATOM 989 O SER A 69 3.668 8.346 -3.826 1.00 0.00 O ATOM 990 CB SER A 69 2.869 11.227 -2.235 1.00 0.00 C ATOM 991 OG SER A 69 3.753 12.263 -2.628 1.00 0.00 O ATOM 0 H SER A 69 4.605 10.920 -0.450 1.00 0.00 H new ATOM 0 HA SER A 69 2.943 9.181 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.107 11.084 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.351 11.514 -1.320 1.00 0.00 H new ATOM 0 HG SER A 69 3.246 13.090 -2.768 1.00 0.00 H new ATOM 997 N SER A 70 5.104 10.075 -3.923 1.00 0.00 N ATOM 998 CA SER A 70 5.679 9.668 -5.200 1.00 0.00 C ATOM 999 C SER A 70 5.805 8.150 -5.279 1.00 0.00 C ATOM 1000 O SER A 70 5.356 7.529 -6.244 1.00 0.00 O ATOM 1001 CB SER A 70 7.051 10.316 -5.394 1.00 0.00 C ATOM 1002 OG SER A 70 7.348 10.476 -6.771 1.00 0.00 O ATOM 0 H SER A 70 5.506 10.927 -3.532 1.00 0.00 H new ATOM 0 HA SER A 70 5.012 10.002 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.072 11.287 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.817 9.701 -4.922 1.00 0.00 H new ATOM 0 HG SER A 70 8.229 10.894 -6.869 1.00 0.00 H new ATOM 1008 N ASP A 71 6.418 7.559 -4.260 1.00 0.00 N ATOM 1009 CA ASP A 71 6.602 6.114 -4.213 1.00 0.00 C ATOM 1010 C ASP A 71 5.331 5.419 -3.736 1.00 0.00 C ATOM 1011 O ASP A 71 4.893 4.430 -4.325 1.00 0.00 O ATOM 1012 CB ASP A 71 7.770 5.757 -3.292 1.00 0.00 C ATOM 1013 CG ASP A 71 9.091 6.311 -3.789 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.261 6.421 -5.021 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.954 6.633 -2.947 1.00 0.00 O ATOM 0 H ASP A 71 6.796 8.059 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 71 6.826 5.768 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.571 6.143 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.843 4.673 -3.207 1.00 0.00 H new ATOM 1020 N VAL A 72 4.743 5.942 -2.664 1.00 0.00 N ATOM 1021 CA VAL A 72 3.522 5.371 -2.108 1.00 0.00 C ATOM 1022 C VAL A 72 2.544 4.983 -3.211 1.00 0.00 C ATOM 1023 O VAL A 72 1.888 3.946 -3.136 1.00 0.00 O ATOM 1024 CB VAL A 72 2.831 6.356 -1.147 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.572 5.735 -0.560 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.788 6.784 -0.044 1.00 0.00 C ATOM 0 H VAL A 72 5.092 6.759 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 72 3.813 4.478 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 72 2.541 7.243 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.097 6.446 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.881 5.483 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.834 4.831 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.283 7.480 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.110 5.908 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.657 7.271 -0.485 1.00 0.00 H new ATOM 1036 N GLU A 73 2.452 5.826 -4.236 1.00 0.00 N ATOM 1037 CA GLU A 73 1.554 5.570 -5.355 1.00 0.00 C ATOM 1038 C GLU A 73 1.986 4.327 -6.128 1.00 0.00 C ATOM 1039 O GLU A 73 1.152 3.570 -6.626 1.00 0.00 O ATOM 1040 CB GLU A 73 1.514 6.779 -6.292 1.00 0.00 C ATOM 1041 CG GLU A 73 2.623 6.779 -7.332 1.00 0.00 C ATOM 1042 CD GLU A 73 2.277 5.949 -8.553 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.415 6.385 -9.343 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.870 4.862 -8.718 1.00 0.00 O ATOM 0 H GLU A 73 2.988 6.690 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 73 0.556 5.397 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.550 6.802 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.584 7.691 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.827 7.804 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.538 6.393 -6.882 1.00 0.00 H new ATOM 1051 N LYS A 74 3.296 4.124 -6.223 1.00 0.00 N ATOM 1052 CA LYS A 74 3.841 2.974 -6.935 1.00 0.00 C ATOM 1053 C LYS A 74 3.660 1.695 -6.122 1.00 0.00 C ATOM 1054 O LYS A 74 3.400 0.628 -6.676 1.00 0.00 O ATOM 1055 CB LYS A 74 5.325 3.193 -7.237 1.00 0.00 C ATOM 1056 CG LYS A 74 5.604 4.449 -8.042 1.00 0.00 C ATOM 1057 CD LYS A 74 5.571 4.174 -9.536 1.00 0.00 C ATOM 1058 CE LYS A 74 6.812 3.422 -9.991 1.00 0.00 C ATOM 1059 NZ LYS A 74 6.809 3.189 -11.462 1.00 0.00 N ATOM 0 H LYS A 74 3.999 4.741 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 74 3.297 2.867 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.874 3.245 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.707 2.330 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.865 5.212 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.580 4.849 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.682 3.593 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.495 5.116 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.702 3.988 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.868 2.465 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.671 2.674 -11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.973 2.628 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.781 4.103 -11.958 1.00 0.00 H new ATOM 1073 N ALA A 75 3.797 1.812 -4.805 1.00 0.00 N ATOM 1074 CA ALA A 75 3.645 0.667 -3.917 1.00 0.00 C ATOM 1075 C ALA A 75 2.202 0.176 -3.897 1.00 0.00 C ATOM 1076 O ALA A 75 1.945 -1.028 -3.912 1.00 0.00 O ATOM 1077 CB ALA A 75 4.102 1.025 -2.510 1.00 0.00 C ATOM 0 H ALA A 75 4.013 2.688 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 75 4.271 -0.141 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.983 0.160 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.151 1.321 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.500 1.851 -2.131 1.00 0.00 H new ATOM 1083 N LYS A 76 1.263 1.114 -3.863 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.156 0.778 -3.842 1.00 0.00 C ATOM 1085 C LYS A 76 -0.587 0.156 -5.166 1.00 0.00 C ATOM 1086 O LYS A 76 -1.179 -0.924 -5.193 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.993 2.026 -3.557 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.484 1.751 -3.458 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.304 2.955 -3.891 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.795 2.697 -3.735 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.608 3.632 -4.562 1.00 0.00 N ATOM 0 H LYS A 76 1.459 2.115 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.319 0.050 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.653 2.476 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.819 2.758 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.739 0.893 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.739 1.487 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.019 3.823 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.081 3.194 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.018 1.670 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.074 2.802 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.618 3.425 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.414 4.611 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.360 3.514 -5.565 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.286 0.842 -6.263 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.640 0.355 -7.591 1.00 0.00 C ATOM 1107 C LYS A 77 -0.019 -1.013 -7.854 1.00 0.00 C ATOM 1108 O LYS A 77 -0.534 -1.795 -8.652 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.179 1.349 -8.660 1.00 0.00 C ATOM 1110 CG LYS A 77 1.275 1.178 -9.063 1.00 0.00 C ATOM 1111 CD LYS A 77 1.724 2.277 -10.012 1.00 0.00 C ATOM 1112 CE LYS A 77 1.478 1.895 -11.464 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.521 0.964 -11.976 1.00 0.00 N ATOM 0 H LYS A 77 0.203 1.737 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.725 0.256 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.808 1.237 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.328 2.363 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.904 1.186 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.410 0.207 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.190 3.199 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.785 2.478 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.497 1.428 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.461 2.795 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.318 0.727 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.454 1.419 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.520 0.094 -11.406 1.00 0.00 H new ATOM 1127 N GLN A 78 1.088 -1.295 -7.174 1.00 0.00 N ATOM 1128 CA GLN A 78 1.776 -2.570 -7.333 1.00 0.00 C ATOM 1129 C GLN A 78 1.112 -3.657 -6.496 1.00 0.00 C ATOM 1130 O GLN A 78 1.014 -4.809 -6.920 1.00 0.00 O ATOM 1131 CB GLN A 78 3.248 -2.432 -6.936 1.00 0.00 C ATOM 1132 CG GLN A 78 4.108 -1.779 -8.006 1.00 0.00 C ATOM 1133 CD GLN A 78 5.523 -1.508 -7.532 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.160 -2.367 -6.920 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.022 -0.310 -7.814 1.00 0.00 N ATOM 0 H GLN A 78 1.527 -0.658 -6.509 1.00 0.00 H new ATOM 0 HA GLN A 78 1.714 -2.858 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.315 -1.845 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.649 -3.420 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.140 -2.424 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.647 -0.841 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.458 0.370 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.969 -0.070 -7.521 1.00 0.00 H new ATOM 1144 N LEU A 79 0.657 -3.284 -5.305 1.00 0.00 N ATOM 1145 CA LEU A 79 0.000 -4.227 -4.407 1.00 0.00 C ATOM 1146 C LEU A 79 -1.332 -4.694 -4.985 1.00 0.00 C ATOM 1147 O LEU A 79 -1.605 -5.892 -5.053 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.222 -3.587 -3.036 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.210 -4.538 -1.839 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.197 -4.673 -1.280 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.170 -4.055 -0.762 1.00 0.00 C ATOM 0 H LEU A 79 0.731 -2.335 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 79 0.650 -5.095 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.548 -2.832 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.180 -3.067 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.541 -5.520 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.187 -5.354 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.859 -5.067 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.556 -3.695 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.147 -4.745 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.871 -3.062 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.181 -4.012 -1.168 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.155 -3.740 -5.403 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.459 -4.052 -5.979 1.00 0.00 C ATOM 1165 C LEU A 80 -3.319 -5.018 -7.151 1.00 0.00 C ATOM 1166 O LEU A 80 -4.014 -6.033 -7.219 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.155 -2.771 -6.440 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.040 -2.077 -5.404 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.192 -1.295 -4.415 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.046 -1.162 -6.089 1.00 0.00 C ATOM 0 H LEU A 80 -1.943 -2.743 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.064 -4.529 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.392 -2.065 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.766 -3.007 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.590 -2.841 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.840 -0.808 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.513 -1.975 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.614 -0.540 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.667 -0.676 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.515 -0.404 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.677 -1.749 -6.756 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.414 -4.698 -8.071 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.180 -5.540 -9.239 1.00 0.00 C ATOM 1184 C HIS A 81 -1.898 -6.980 -8.823 1.00 0.00 C ATOM 1185 O HIS A 81 -2.614 -7.902 -9.216 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.011 -4.995 -10.060 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.989 -5.492 -11.473 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.044 -5.329 -12.345 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.030 -6.151 -12.164 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.736 -5.867 -13.512 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.519 -6.372 -13.429 1.00 0.00 N ATOM 0 H HIS A 81 -1.831 -3.862 -8.030 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.081 -5.528 -9.852 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.059 -3.906 -10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.076 -5.270 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.939 -6.448 -11.791 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.372 -5.890 -14.385 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.022 -6.849 -14.182 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.852 -7.167 -8.027 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.475 -8.495 -7.558 1.00 0.00 C ATOM 1201 C LEU A 82 -1.635 -9.166 -6.828 1.00 0.00 C ATOM 1202 O LEU A 82 -2.087 -10.243 -7.216 1.00 0.00 O ATOM 1203 CB LEU A 82 0.740 -8.405 -6.633 1.00 0.00 C ATOM 1204 CG LEU A 82 1.980 -7.728 -7.218 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.980 -7.405 -6.118 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.619 -8.612 -8.279 1.00 0.00 C ATOM 0 H LEU A 82 -0.249 -6.415 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.219 -9.100 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.447 -7.865 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.013 -9.414 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 82 1.673 -6.794 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.856 -6.924 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.519 -6.734 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.282 -8.326 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.500 -8.115 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.912 -9.562 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.903 -8.793 -9.081 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.114 -8.519 -5.771 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.225 -9.049 -4.989 1.00 0.00 C ATOM 1220 C ALA A 83 -4.216 -9.792 -5.879 1.00 0.00 C ATOM 1221 O ALA A 83 -4.518 -10.963 -5.644 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.925 -7.928 -4.238 1.00 0.00 C ATOM 0 H ALA A 83 -1.750 -7.627 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.822 -9.758 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.752 -8.339 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.217 -7.443 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.309 -7.197 -4.950 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.719 -9.106 -6.900 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.678 -9.701 -7.822 1.00 0.00 C ATOM 1230 C GLU A 84 -5.096 -10.950 -8.480 1.00 0.00 C ATOM 1231 O GLU A 84 -5.760 -11.982 -8.569 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.083 -8.690 -8.896 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.685 -7.413 -8.332 1.00 0.00 C ATOM 1234 CD GLU A 84 -7.694 -6.780 -9.271 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.679 -7.460 -9.627 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -7.501 -5.606 -9.647 1.00 0.00 O ATOM 0 H GLU A 84 -4.478 -8.137 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.561 -9.988 -7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.207 -8.436 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.803 -9.156 -9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.168 -7.633 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.887 -6.699 -8.127 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.853 -10.847 -8.937 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.183 -11.967 -9.587 1.00 0.00 C ATOM 1245 C GLU A 85 -3.047 -13.148 -8.631 1.00 0.00 C ATOM 1246 O GLU A 85 -3.562 -14.235 -8.892 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.801 -11.542 -10.089 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.850 -10.503 -11.197 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.777 -10.899 -12.330 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.817 -12.100 -12.669 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.463 -10.010 -12.875 1.00 0.00 O ATOM 0 H GLU A 85 -3.289 -10.000 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.791 -12.277 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.227 -11.143 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.268 -12.422 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.177 -9.550 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.845 -10.351 -11.591 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.348 -12.927 -7.522 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.143 -13.972 -6.525 1.00 0.00 C ATOM 1260 C LYS A 86 -3.363 -14.882 -6.432 1.00 0.00 C ATOM 1261 O LYS A 86 -3.239 -16.106 -6.471 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.853 -13.349 -5.158 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.557 -12.559 -5.111 1.00 0.00 C ATOM 1264 CD LYS A 86 0.656 -13.470 -5.192 1.00 0.00 C ATOM 1265 CE LYS A 86 1.939 -12.675 -5.380 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.250 -12.458 -6.820 1.00 0.00 N ATOM 0 H LYS A 86 -1.914 -12.033 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.287 -14.572 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.679 -12.692 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.814 -14.140 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.534 -11.847 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.517 -11.979 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.726 -14.066 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.534 -14.167 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.846 -11.711 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.766 -13.203 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.131 -11.913 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.364 -13.377 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.472 -11.932 -7.268 1.00 0.00 H new