USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot -140:sc= -0.0706 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -131:sc= -0.404 (180deg=-3.33!) USER MOD Set 2.1: A 26 ASN : amide:sc= -1.83 X(o=-3,f=-3.3) USER MOD Set 2.2: A 34 TYR OH : rot 120:sc= -1.2 USER MOD Set 3.1: A 19 MET CE :methyl 167:sc= -0.352 (180deg=-0.355) USER MOD Set 3.2: A 20 ASN : amide:sc= -0.301 K(o=-0.65,f=-2) USER MOD Single : A 23 MET CE :methyl -171:sc= -0.839 (180deg=-1.08) USER MOD Single : A 27 GLN : amide:sc= -0.806 K(o=-0.81,f=-4.5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.064 USER MOD Single : A 39 GLN : amide:sc= -4.55! C(o=-4.5!,f=-6.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-0.14) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -136:sc= -2.55! (180deg=-4.94!) USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 64:sc= 0.327 USER MOD Single : A 58 THR OG1 : rot -13:sc= 1.21 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0334 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-6.4!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.205 (180deg=-0.855) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -115:sc= -1.51 (180deg=-3.32!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.192 -13.171 -0.655 1.00 0.00 N ATOM 237 CA LEU A 18 -8.994 -11.943 0.106 1.00 0.00 C ATOM 238 C LEU A 18 -7.729 -11.219 -0.347 1.00 0.00 C ATOM 239 O LEU A 18 -7.777 -10.056 -0.746 1.00 0.00 O ATOM 240 CB LEU A 18 -8.908 -12.254 1.601 1.00 0.00 C ATOM 241 CG LEU A 18 -10.171 -12.835 2.239 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.183 -12.570 3.737 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.415 -12.254 1.583 1.00 0.00 C ATOM 0 HA LEU A 18 -9.849 -11.291 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.089 -12.956 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.648 -11.336 2.128 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.171 -13.914 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.089 -12.990 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.310 -13.034 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.159 -11.495 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.304 -12.678 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.421 -11.171 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.412 -12.496 0.520 1.00 0.00 H new ATOM 255 N MET A 19 -6.600 -11.917 -0.284 1.00 0.00 N ATOM 256 CA MET A 19 -5.323 -11.342 -0.691 1.00 0.00 C ATOM 257 C MET A 19 -5.449 -10.640 -2.040 1.00 0.00 C ATOM 258 O MET A 19 -4.637 -9.781 -2.381 1.00 0.00 O ATOM 259 CB MET A 19 -4.250 -12.430 -0.767 1.00 0.00 C ATOM 260 CG MET A 19 -4.671 -13.642 -1.582 1.00 0.00 C ATOM 261 SD MET A 19 -4.361 -13.435 -3.346 1.00 0.00 S ATOM 262 CE MET A 19 -5.910 -14.016 -4.032 1.00 0.00 C ATOM 0 H MET A 19 -6.543 -12.881 0.045 1.00 0.00 H new ATOM 0 HA MET A 19 -5.030 -10.605 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.345 -12.006 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.998 -12.752 0.244 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.134 -14.520 -1.223 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.733 -13.831 -1.423 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.968 -13.740 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.966 -15.100 -3.938 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.740 -13.562 -3.492 1.00 0.00 H new ATOM 272 N ASN A 20 -6.471 -11.013 -2.803 1.00 0.00 N ATOM 273 CA ASN A 20 -6.702 -10.420 -4.115 1.00 0.00 C ATOM 274 C ASN A 20 -6.433 -8.918 -4.088 1.00 0.00 C ATOM 275 O ASN A 20 -5.756 -8.383 -4.966 1.00 0.00 O ATOM 276 CB ASN A 20 -8.138 -10.684 -4.572 1.00 0.00 C ATOM 277 CG ASN A 20 -8.290 -12.032 -5.251 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.591 -12.335 -6.218 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.208 -12.848 -4.746 1.00 0.00 N ATOM 0 H ASN A 20 -7.152 -11.723 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.013 -10.882 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.805 -10.637 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.448 -9.897 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.356 -13.768 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.765 -12.555 -3.943 1.00 0.00 H new ATOM 286 N ALA A 21 -6.967 -8.245 -3.075 1.00 0.00 N ATOM 287 CA ALA A 21 -6.783 -6.806 -2.931 1.00 0.00 C ATOM 288 C ALA A 21 -5.306 -6.453 -2.794 1.00 0.00 C ATOM 289 O ALA A 21 -4.789 -5.606 -3.524 1.00 0.00 O ATOM 290 CB ALA A 21 -7.565 -6.291 -1.732 1.00 0.00 C ATOM 0 H ALA A 21 -7.531 -8.673 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.163 -6.324 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.418 -5.215 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.625 -6.502 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.212 -6.787 -0.828 1.00 0.00 H new ATOM 296 N LEU A 22 -4.631 -7.106 -1.854 1.00 0.00 N ATOM 297 CA LEU A 22 -3.212 -6.860 -1.621 1.00 0.00 C ATOM 298 C LEU A 22 -2.438 -6.847 -2.935 1.00 0.00 C ATOM 299 O LEU A 22 -1.677 -5.920 -3.210 1.00 0.00 O ATOM 300 CB LEU A 22 -2.637 -7.926 -0.687 1.00 0.00 C ATOM 301 CG LEU A 22 -2.708 -7.617 0.809 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.269 -8.823 1.625 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.852 -6.404 1.144 1.00 0.00 C ATOM 0 H LEU A 22 -5.043 -7.809 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.110 -5.881 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.164 -8.863 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.593 -8.090 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.743 -7.389 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.326 -8.584 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.923 -9.667 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.243 -9.083 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.914 -6.199 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.815 -6.604 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.212 -5.539 0.587 1.00 0.00 H new ATOM 315 N MET A 23 -2.640 -7.882 -3.744 1.00 0.00 N ATOM 316 CA MET A 23 -1.963 -7.988 -5.032 1.00 0.00 C ATOM 317 C MET A 23 -2.352 -6.831 -5.947 1.00 0.00 C ATOM 318 O MET A 23 -1.516 -6.297 -6.677 1.00 0.00 O ATOM 319 CB MET A 23 -2.302 -9.320 -5.703 1.00 0.00 C ATOM 320 CG MET A 23 -1.531 -10.501 -5.135 1.00 0.00 C ATOM 321 SD MET A 23 -1.987 -10.874 -3.431 1.00 0.00 S ATOM 322 CE MET A 23 -1.255 -12.496 -3.232 1.00 0.00 C ATOM 0 H MET A 23 -3.266 -8.658 -3.531 1.00 0.00 H new ATOM 0 HA MET A 23 -0.889 -7.943 -4.854 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.370 -9.509 -5.597 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.097 -9.242 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.710 -11.379 -5.755 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.463 -10.289 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.584 -12.930 -2.288 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.566 -13.139 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.169 -12.407 -3.232 1.00 0.00 H new ATOM 332 N ARG A 24 -3.624 -6.449 -5.903 1.00 0.00 N ATOM 333 CA ARG A 24 -4.123 -5.357 -6.730 1.00 0.00 C ATOM 334 C ARG A 24 -3.383 -4.058 -6.419 1.00 0.00 C ATOM 335 O ARG A 24 -2.779 -3.449 -7.302 1.00 0.00 O ATOM 336 CB ARG A 24 -5.624 -5.166 -6.509 1.00 0.00 C ATOM 337 CG ARG A 24 -6.472 -6.287 -7.087 1.00 0.00 C ATOM 338 CD ARG A 24 -6.831 -6.021 -8.541 1.00 0.00 C ATOM 339 NE ARG A 24 -7.288 -7.230 -9.222 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.473 -8.196 -9.631 1.00 0.00 C ATOM 341 NH1 ARG A 24 -5.166 -8.096 -9.428 1.00 0.00 N ATOM 342 NH2 ARG A 24 -6.964 -9.265 -10.243 1.00 0.00 N ATOM 0 H ARG A 24 -4.328 -6.880 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.947 -5.615 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.818 -5.089 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.931 -4.221 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.931 -7.230 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.384 -6.395 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.611 -5.261 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.962 -5.618 -9.061 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.288 -7.338 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.784 -7.276 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.543 -8.839 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.969 -9.346 -10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.337 -10.006 -10.557 1.00 0.00 H new ATOM 356 N LEU A 25 -3.436 -3.641 -5.159 1.00 0.00 N ATOM 357 CA LEU A 25 -2.772 -2.415 -4.730 1.00 0.00 C ATOM 358 C LEU A 25 -1.360 -2.332 -5.302 1.00 0.00 C ATOM 359 O LEU A 25 -0.913 -1.268 -5.728 1.00 0.00 O ATOM 360 CB LEU A 25 -2.721 -2.345 -3.203 1.00 0.00 C ATOM 361 CG LEU A 25 -2.619 -0.945 -2.598 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.895 -0.158 -2.855 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.333 -1.028 -1.106 1.00 0.00 C ATOM 0 H LEU A 25 -3.932 -4.134 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.347 -1.569 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.616 -2.826 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.867 -2.930 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.791 -0.422 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.804 0.836 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.057 -0.068 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.740 -0.677 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.264 -0.022 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.139 -1.569 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.391 -1.552 -0.945 1.00 0.00 H new ATOM 375 N ASN A 26 -0.663 -3.464 -5.309 1.00 0.00 N ATOM 376 CA ASN A 26 0.698 -3.520 -5.829 1.00 0.00 C ATOM 377 C ASN A 26 0.701 -3.449 -7.353 1.00 0.00 C ATOM 378 O ASN A 26 1.612 -2.880 -7.956 1.00 0.00 O ATOM 379 CB ASN A 26 1.391 -4.804 -5.367 1.00 0.00 C ATOM 380 CG ASN A 26 1.485 -4.897 -3.856 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.074 -4.034 -3.205 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.904 -5.949 -3.291 1.00 0.00 N ATOM 0 H ASN A 26 -1.018 -4.354 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 26 1.244 -2.660 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.844 -5.666 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.393 -4.847 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.935 -6.066 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.427 -6.640 -3.870 1.00 0.00 H new ATOM 389 N GLN A 27 -0.324 -4.029 -7.970 1.00 0.00 N ATOM 390 CA GLN A 27 -0.439 -4.031 -9.423 1.00 0.00 C ATOM 391 C GLN A 27 -0.544 -2.608 -9.963 1.00 0.00 C ATOM 392 O GLN A 27 0.165 -2.234 -10.897 1.00 0.00 O ATOM 393 CB GLN A 27 -1.658 -4.846 -9.858 1.00 0.00 C ATOM 394 CG GLN A 27 -1.395 -6.341 -9.935 1.00 0.00 C ATOM 395 CD GLN A 27 -0.508 -6.718 -11.105 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.269 -5.900 -11.599 1.00 0.00 O ATOM 397 NE2 GLN A 27 -0.618 -7.962 -11.554 1.00 0.00 N ATOM 0 H GLN A 27 -1.086 -4.503 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 27 0.461 -4.490 -9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.474 -4.665 -9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.991 -4.493 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.927 -6.672 -9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.345 -6.869 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.275 -8.607 -11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.045 -8.274 -12.339 1.00 0.00 H new ATOM 406 N ILE A 28 -1.434 -1.820 -9.369 1.00 0.00 N ATOM 407 CA ILE A 28 -1.632 -0.439 -9.790 1.00 0.00 C ATOM 408 C ILE A 28 -0.504 0.456 -9.286 1.00 0.00 C ATOM 409 O ILE A 28 -0.044 1.350 -9.996 1.00 0.00 O ATOM 410 CB ILE A 28 -2.977 0.117 -9.286 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.160 -0.200 -7.800 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.126 -0.457 -10.101 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.314 0.541 -7.162 1.00 0.00 C ATOM 0 H ILE A 28 -2.029 -2.115 -8.595 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.634 -0.439 -10.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.975 1.200 -9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.318 -1.272 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.241 0.047 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.070 -0.055 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.000 -0.185 -11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.133 -1.543 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.384 0.268 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.149 1.615 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.242 0.275 -7.668 1.00 0.00 H new ATOM 425 N ARG A 29 -0.063 0.208 -8.057 1.00 0.00 N ATOM 426 CA ARG A 29 1.011 0.990 -7.458 1.00 0.00 C ATOM 427 C ARG A 29 2.105 0.080 -6.908 1.00 0.00 C ATOM 428 O ARG A 29 2.096 -0.305 -5.738 1.00 0.00 O ATOM 429 CB ARG A 29 0.462 1.879 -6.341 1.00 0.00 C ATOM 430 CG ARG A 29 -0.822 2.603 -6.714 1.00 0.00 C ATOM 431 CD ARG A 29 -0.549 3.779 -7.638 1.00 0.00 C ATOM 432 NE ARG A 29 0.072 4.897 -6.933 1.00 0.00 N ATOM 433 CZ ARG A 29 0.411 6.039 -7.521 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.190 6.213 -8.817 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.973 7.010 -6.812 1.00 0.00 N ATOM 0 H ARG A 29 -0.433 -0.529 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 29 1.444 1.621 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.281 1.267 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.218 2.615 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.505 1.907 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.318 2.956 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.101 3.457 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.484 4.110 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 29 0.255 4.796 -5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.241 5.469 -9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.451 7.091 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.145 6.880 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.233 7.887 -7.264 1.00 0.00 H new ATOM 449 N PRO A 30 3.070 -0.274 -7.769 1.00 0.00 N ATOM 450 CA PRO A 30 4.189 -1.143 -7.392 1.00 0.00 C ATOM 451 C PRO A 30 5.158 -0.457 -6.435 1.00 0.00 C ATOM 452 O PRO A 30 5.336 0.759 -6.482 1.00 0.00 O ATOM 453 CB PRO A 30 4.875 -1.438 -8.728 1.00 0.00 C ATOM 454 CG PRO A 30 4.523 -0.282 -9.598 1.00 0.00 C ATOM 455 CD PRO A 30 3.145 0.148 -9.178 1.00 0.00 C ATOM 0 HA PRO A 30 3.853 -2.035 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.955 -1.528 -8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.522 -2.377 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.239 0.530 -9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.539 -0.566 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.011 1.225 -9.283 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.374 -0.330 -9.782 1.00 0.00 H new ATOM 463 N GLY A 31 5.784 -1.247 -5.567 1.00 0.00 N ATOM 464 CA GLY A 31 6.728 -0.697 -4.612 1.00 0.00 C ATOM 465 C GLY A 31 6.050 0.123 -3.533 1.00 0.00 C ATOM 466 O GLY A 31 6.296 1.324 -3.409 1.00 0.00 O ATOM 0 H GLY A 31 5.654 -2.257 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.287 -1.510 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.450 -0.073 -5.138 1.00 0.00 H new ATOM 470 N LEU A 32 5.193 -0.524 -2.750 1.00 0.00 N ATOM 471 CA LEU A 32 4.475 0.154 -1.677 1.00 0.00 C ATOM 472 C LEU A 32 5.112 -0.144 -0.323 1.00 0.00 C ATOM 473 O LEU A 32 5.914 -1.068 -0.194 1.00 0.00 O ATOM 474 CB LEU A 32 3.007 -0.275 -1.668 1.00 0.00 C ATOM 475 CG LEU A 32 2.162 0.202 -2.849 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.053 -0.795 -3.149 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.580 1.580 -2.568 1.00 0.00 C ATOM 0 H LEU A 32 4.979 -1.517 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 32 4.532 1.228 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.968 -1.364 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.548 0.089 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 32 2.806 0.274 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.462 -0.439 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.490 -1.763 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.411 -0.899 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.982 1.903 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.951 1.535 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.390 2.290 -2.404 1.00 0.00 H new ATOM 489 N GLN A 33 4.747 0.644 0.683 1.00 0.00 N ATOM 490 CA GLN A 33 5.282 0.463 2.027 1.00 0.00 C ATOM 491 C GLN A 33 4.174 0.553 3.071 1.00 0.00 C ATOM 492 O GLN A 33 3.399 1.510 3.087 1.00 0.00 O ATOM 493 CB GLN A 33 6.358 1.512 2.317 1.00 0.00 C ATOM 494 CG GLN A 33 5.803 2.913 2.518 1.00 0.00 C ATOM 495 CD GLN A 33 6.891 3.945 2.743 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.221 4.721 1.846 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.454 3.959 3.945 1.00 0.00 N ATOM 0 H GLN A 33 4.083 1.413 0.593 1.00 0.00 H new ATOM 0 HA GLN A 33 5.728 -0.530 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.910 1.217 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.071 1.527 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.215 3.195 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.126 2.912 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.149 3.297 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.192 4.632 4.155 1.00 0.00 H new ATOM 506 N TYR A 34 4.105 -0.448 3.941 1.00 0.00 N ATOM 507 CA TYR A 34 3.089 -0.483 4.987 1.00 0.00 C ATOM 508 C TYR A 34 3.725 -0.354 6.368 1.00 0.00 C ATOM 509 O TYR A 34 4.755 -0.966 6.650 1.00 0.00 O ATOM 510 CB TYR A 34 2.286 -1.782 4.902 1.00 0.00 C ATOM 511 CG TYR A 34 1.742 -2.069 3.521 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.522 -2.707 2.565 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.448 -1.702 3.172 1.00 0.00 C ATOM 514 CE1 TYR A 34 2.030 -2.971 1.301 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.053 -1.963 1.911 1.00 0.00 C ATOM 516 CZ TYR A 34 0.742 -2.597 0.979 1.00 0.00 C ATOM 517 OH TYR A 34 0.247 -2.858 -0.278 1.00 0.00 O ATOM 0 H TYR A 34 4.740 -1.246 3.943 1.00 0.00 H new ATOM 0 HA TYR A 34 2.418 0.362 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.920 -2.612 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.456 -1.733 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.531 -3.002 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.177 -1.204 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.650 -3.467 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.062 -1.672 1.657 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.541 -3.436 -0.206 1.00 0.00 H new ATOM 527 N LYS A 35 3.101 0.447 7.225 1.00 0.00 N ATOM 528 CA LYS A 35 3.602 0.657 8.579 1.00 0.00 C ATOM 529 C LYS A 35 2.492 0.463 9.606 1.00 0.00 C ATOM 530 O LYS A 35 1.318 0.702 9.319 1.00 0.00 O ATOM 531 CB LYS A 35 4.195 2.062 8.712 1.00 0.00 C ATOM 532 CG LYS A 35 4.740 2.362 10.098 1.00 0.00 C ATOM 533 CD LYS A 35 6.025 1.599 10.370 1.00 0.00 C ATOM 534 CE LYS A 35 6.416 1.671 11.838 1.00 0.00 C ATOM 535 NZ LYS A 35 7.197 2.902 12.145 1.00 0.00 N ATOM 0 H LYS A 35 2.248 0.961 7.006 1.00 0.00 H new ATOM 0 HA LYS A 35 4.382 -0.080 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.996 2.180 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.428 2.796 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.924 3.432 10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.994 2.099 10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.900 0.557 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.829 2.008 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.517 1.648 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.005 0.792 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.444 2.913 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.067 2.912 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.626 3.741 11.919 1.00 0.00 H new ATOM 549 N LEU A 36 2.869 0.030 10.804 1.00 0.00 N ATOM 550 CA LEU A 36 1.905 -0.195 11.875 1.00 0.00 C ATOM 551 C LEU A 36 1.882 0.984 12.843 1.00 0.00 C ATOM 552 O LEU A 36 2.745 1.103 13.714 1.00 0.00 O ATOM 553 CB LEU A 36 2.241 -1.482 12.629 1.00 0.00 C ATOM 554 CG LEU A 36 1.099 -2.110 13.429 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.049 -2.689 12.495 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.632 -3.183 14.368 1.00 0.00 C ATOM 0 H LEU A 36 3.836 -0.172 11.058 1.00 0.00 H new ATOM 0 HA LEU A 36 0.917 -0.292 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.601 -2.217 11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.065 -1.275 13.312 1.00 0.00 H new ATOM 0 HG LEU A 36 0.630 -1.331 14.030 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.756 -3.132 13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.355 -1.896 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.504 -3.455 11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.805 -3.619 14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.127 -3.962 13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.346 -2.738 15.061 1.00 0.00 H new ATOM 568 N LEU A 37 0.888 1.852 12.686 1.00 0.00 N ATOM 569 CA LEU A 37 0.751 3.021 13.548 1.00 0.00 C ATOM 570 C LEU A 37 0.885 2.634 15.017 1.00 0.00 C ATOM 571 O LEU A 37 1.664 3.233 15.759 1.00 0.00 O ATOM 572 CB LEU A 37 -0.599 3.699 13.309 1.00 0.00 C ATOM 573 CG LEU A 37 -0.874 4.162 11.877 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.327 4.580 11.721 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.056 5.306 11.499 1.00 0.00 C ATOM 0 H LEU A 37 0.166 1.768 11.971 1.00 0.00 H new ATOM 0 HA LEU A 37 1.551 3.719 13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.388 3.007 13.603 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.671 4.563 13.969 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.684 3.327 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.504 4.906 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.975 3.734 11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.545 5.400 12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.153 5.623 10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.103 6.144 12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.091 4.972 11.570 1.00 0.00 H new ATOM 587 N SER A 38 0.122 1.627 15.430 1.00 0.00 N ATOM 588 CA SER A 38 0.154 1.160 16.811 1.00 0.00 C ATOM 589 C SER A 38 -0.703 -0.091 16.982 1.00 0.00 C ATOM 590 O SER A 38 -1.579 -0.371 16.165 1.00 0.00 O ATOM 591 CB SER A 38 -0.335 2.260 17.755 1.00 0.00 C ATOM 592 OG SER A 38 -0.353 1.808 19.098 1.00 0.00 O ATOM 0 H SER A 38 -0.526 1.119 14.828 1.00 0.00 H new ATOM 0 HA SER A 38 1.185 0.909 17.060 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.314 3.132 17.670 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.336 2.578 17.461 1.00 0.00 H new ATOM 0 HG SER A 38 -0.667 2.530 19.682 1.00 0.00 H new ATOM 598 N GLN A 39 -0.441 -0.838 18.049 1.00 0.00 N ATOM 599 CA GLN A 39 -1.188 -2.060 18.328 1.00 0.00 C ATOM 600 C GLN A 39 -1.742 -2.047 19.748 1.00 0.00 C ATOM 601 O GLN A 39 -1.021 -1.764 20.704 1.00 0.00 O ATOM 602 CB GLN A 39 -0.294 -3.285 18.127 1.00 0.00 C ATOM 603 CG GLN A 39 -0.976 -4.598 18.477 1.00 0.00 C ATOM 604 CD GLN A 39 -1.151 -4.785 19.971 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.393 -4.235 20.771 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.156 -5.563 20.357 1.00 0.00 N ATOM 0 H GLN A 39 0.282 -0.619 18.734 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.025 -2.112 17.632 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.032 -3.320 17.088 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.602 -3.176 18.739 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.952 -4.636 17.993 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.390 -5.425 18.077 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.760 -5.999 19.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.324 -5.724 21.350 1.00 0.00 H new ATOM 615 N SER A 40 -3.029 -2.355 19.878 1.00 0.00 N ATOM 616 CA SER A 40 -3.682 -2.375 21.182 1.00 0.00 C ATOM 617 C SER A 40 -4.561 -3.613 21.330 1.00 0.00 C ATOM 618 O SER A 40 -4.866 -4.293 20.351 1.00 0.00 O ATOM 619 CB SER A 40 -4.523 -1.112 21.374 1.00 0.00 C ATOM 620 OG SER A 40 -4.627 -0.772 22.746 1.00 0.00 O ATOM 0 H SER A 40 -3.640 -2.594 19.097 1.00 0.00 H new ATOM 0 HA SER A 40 -2.908 -2.407 21.949 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.074 -0.285 20.824 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.518 -1.268 20.958 1.00 0.00 H new ATOM 0 HG SER A 40 -5.168 0.040 22.842 1.00 0.00 H new ATOM 626 N GLY A 41 -4.967 -3.899 22.564 1.00 0.00 N ATOM 627 CA GLY A 41 -5.807 -5.054 22.819 1.00 0.00 C ATOM 628 C GLY A 41 -5.036 -6.209 23.429 1.00 0.00 C ATOM 629 O GLY A 41 -3.853 -6.093 23.749 1.00 0.00 O ATOM 0 H GLY A 41 -4.729 -3.351 23.391 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.618 -4.769 23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.265 -5.380 21.885 1.00 0.00 H new ATOM 633 N PRO A 42 -5.714 -7.354 23.599 1.00 0.00 N ATOM 634 CA PRO A 42 -5.105 -8.555 24.177 1.00 0.00 C ATOM 635 C PRO A 42 -4.076 -9.188 23.247 1.00 0.00 C ATOM 636 O PRO A 42 -3.773 -8.650 22.182 1.00 0.00 O ATOM 637 CB PRO A 42 -6.296 -9.496 24.376 1.00 0.00 C ATOM 638 CG PRO A 42 -7.302 -9.051 23.371 1.00 0.00 C ATOM 639 CD PRO A 42 -7.126 -7.563 23.240 1.00 0.00 C ATOM 0 HA PRO A 42 -4.560 -8.334 25.095 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.010 -10.536 24.216 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.691 -9.426 25.389 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.144 -9.548 22.414 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.313 -9.297 23.695 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.338 -7.221 22.227 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.795 -7.019 23.907 1.00 0.00 H new ATOM 647 N VAL A 43 -3.542 -10.335 23.655 1.00 0.00 N ATOM 648 CA VAL A 43 -2.547 -11.042 22.857 1.00 0.00 C ATOM 649 C VAL A 43 -3.213 -11.956 21.834 1.00 0.00 C ATOM 650 O VAL A 43 -2.643 -12.247 20.782 1.00 0.00 O ATOM 651 CB VAL A 43 -1.609 -11.881 23.745 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.309 -13.146 24.217 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.329 -12.219 22.995 1.00 0.00 C ATOM 0 H VAL A 43 -3.782 -10.794 24.534 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.961 -10.284 22.337 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.345 -11.292 24.623 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.630 -13.725 24.843 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.195 -12.878 24.793 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.604 -13.742 23.354 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.323 -12.812 23.637 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.572 -12.789 22.099 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.181 -11.298 22.712 1.00 0.00 H new ATOM 663 N HIS A 44 -4.423 -12.407 22.150 1.00 0.00 N ATOM 664 CA HIS A 44 -5.167 -13.287 21.257 1.00 0.00 C ATOM 665 C HIS A 44 -6.075 -12.482 20.332 1.00 0.00 C ATOM 666 O HIS A 44 -6.424 -12.934 19.242 1.00 0.00 O ATOM 667 CB HIS A 44 -5.999 -14.284 22.066 1.00 0.00 C ATOM 668 CG HIS A 44 -7.280 -13.710 22.587 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.415 -13.206 23.864 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.489 -13.560 21.996 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.651 -12.773 24.036 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.323 -12.976 22.917 1.00 0.00 N ATOM 0 H HIS A 44 -4.908 -12.177 23.017 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.449 -13.835 20.646 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.225 -15.148 21.441 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.404 -14.645 22.905 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.749 -13.846 20.988 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.045 -12.329 24.938 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.303 -12.738 22.762 1.00 0.00 H new ATOM 681 N ALA A 45 -6.454 -11.288 20.775 1.00 0.00 N ATOM 682 CA ALA A 45 -7.319 -10.420 19.986 1.00 0.00 C ATOM 683 C ALA A 45 -6.687 -9.046 19.790 1.00 0.00 C ATOM 684 O ALA A 45 -7.307 -8.010 20.030 1.00 0.00 O ATOM 685 CB ALA A 45 -8.680 -10.286 20.653 1.00 0.00 C ATOM 0 H ALA A 45 -6.176 -10.900 21.676 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.450 -10.874 19.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.316 -9.635 20.054 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.143 -11.269 20.736 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.557 -9.857 21.648 1.00 0.00 H new ATOM 691 N PRO A 46 -5.422 -9.034 19.343 1.00 0.00 N ATOM 692 CA PRO A 46 -4.678 -7.794 19.105 1.00 0.00 C ATOM 693 C PRO A 46 -5.213 -7.019 17.905 1.00 0.00 C ATOM 694 O PRO A 46 -5.817 -7.595 17.000 1.00 0.00 O ATOM 695 CB PRO A 46 -3.253 -8.282 18.834 1.00 0.00 C ATOM 696 CG PRO A 46 -3.418 -9.673 18.327 1.00 0.00 C ATOM 697 CD PRO A 46 -4.621 -10.231 19.036 1.00 0.00 C ATOM 0 HA PRO A 46 -4.754 -7.105 19.946 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.751 -7.651 18.101 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.648 -8.260 19.741 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.563 -9.680 17.247 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.531 -10.272 18.533 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.170 -10.931 18.406 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.340 -10.769 19.941 1.00 0.00 H new ATOM 705 N VAL A 47 -4.986 -5.709 17.904 1.00 0.00 N ATOM 706 CA VAL A 47 -5.443 -4.855 16.814 1.00 0.00 C ATOM 707 C VAL A 47 -4.265 -4.247 16.061 1.00 0.00 C ATOM 708 O VAL A 47 -3.645 -3.290 16.524 1.00 0.00 O ATOM 709 CB VAL A 47 -6.348 -3.721 17.331 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.798 -2.831 16.183 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.545 -4.293 18.075 1.00 0.00 C ATOM 0 H VAL A 47 -4.488 -5.216 18.646 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.017 -5.487 16.136 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.774 -3.110 18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.436 -2.036 16.568 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.925 -2.393 15.698 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.355 -3.425 15.459 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.174 -3.478 18.434 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.122 -4.928 17.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.198 -4.884 18.923 1.00 0.00 H new ATOM 721 N PHE A 48 -3.962 -4.809 14.895 1.00 0.00 N ATOM 722 CA PHE A 48 -2.857 -4.323 14.077 1.00 0.00 C ATOM 723 C PHE A 48 -3.318 -3.198 13.155 1.00 0.00 C ATOM 724 O PHE A 48 -3.943 -3.442 12.122 1.00 0.00 O ATOM 725 CB PHE A 48 -2.266 -5.466 13.249 1.00 0.00 C ATOM 726 CG PHE A 48 -1.376 -6.381 14.040 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.914 -7.413 14.793 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.001 -6.210 14.031 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.096 -8.255 15.523 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.822 -7.050 14.758 1.00 0.00 C ATOM 731 CZ PHE A 48 0.273 -8.074 15.504 1.00 0.00 C ATOM 0 H PHE A 48 -4.466 -5.601 14.496 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.089 -3.932 14.744 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.079 -6.048 12.816 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.697 -5.047 12.419 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.984 -7.561 14.810 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.433 -5.411 13.449 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.527 -9.054 16.108 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.892 -6.906 14.742 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.913 -8.733 16.072 1.00 0.00 H new ATOM 741 N THR A 49 -3.005 -1.963 13.536 1.00 0.00 N ATOM 742 CA THR A 49 -3.388 -0.800 12.746 1.00 0.00 C ATOM 743 C THR A 49 -2.319 -0.461 11.713 1.00 0.00 C ATOM 744 O THR A 49 -1.250 0.043 12.055 1.00 0.00 O ATOM 745 CB THR A 49 -3.630 0.431 13.639 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.674 0.156 14.581 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.004 1.644 12.801 1.00 0.00 C ATOM 0 H THR A 49 -2.487 -1.743 14.387 1.00 0.00 H new ATOM 0 HA THR A 49 -4.316 -1.057 12.235 1.00 0.00 H new ATOM 0 HB THR A 49 -2.706 0.650 14.174 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.820 0.943 15.146 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.170 2.501 13.454 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.195 1.869 12.106 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.915 1.433 12.241 1.00 0.00 H new ATOM 755 N MET A 50 -2.616 -0.741 10.448 1.00 0.00 N ATOM 756 CA MET A 50 -1.680 -0.463 9.364 1.00 0.00 C ATOM 757 C MET A 50 -2.005 0.867 8.693 1.00 0.00 C ATOM 758 O MET A 50 -3.071 1.441 8.914 1.00 0.00 O ATOM 759 CB MET A 50 -1.714 -1.591 8.331 1.00 0.00 C ATOM 760 CG MET A 50 -0.748 -2.724 8.636 1.00 0.00 C ATOM 761 SD MET A 50 0.936 -2.364 8.101 1.00 0.00 S ATOM 762 CE MET A 50 1.881 -3.275 9.321 1.00 0.00 C ATOM 0 H MET A 50 -3.496 -1.160 10.148 1.00 0.00 H new ATOM 0 HA MET A 50 -0.678 -0.400 9.789 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.726 -1.992 8.277 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.481 -1.180 7.349 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.750 -2.920 9.708 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.094 -3.634 8.145 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.712 -2.662 9.670 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.238 -3.529 10.164 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.269 -4.189 8.872 1.00 0.00 H new ATOM 772 N SER A 51 -1.078 1.353 7.873 1.00 0.00 N ATOM 773 CA SER A 51 -1.264 2.618 7.173 1.00 0.00 C ATOM 774 C SER A 51 -0.454 2.649 5.880 1.00 0.00 C ATOM 775 O SER A 51 0.662 2.133 5.822 1.00 0.00 O ATOM 776 CB SER A 51 -0.857 3.788 8.071 1.00 0.00 C ATOM 777 OG SER A 51 0.547 3.821 8.260 1.00 0.00 O ATOM 0 H SER A 51 -0.191 0.889 7.677 1.00 0.00 H new ATOM 0 HA SER A 51 -2.320 2.713 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.189 4.726 7.625 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.355 3.700 9.036 1.00 0.00 H new ATOM 0 HG SER A 51 0.798 4.661 8.699 1.00 0.00 H new ATOM 783 N VAL A 52 -1.025 3.257 4.845 1.00 0.00 N ATOM 784 CA VAL A 52 -0.357 3.356 3.553 1.00 0.00 C ATOM 785 C VAL A 52 -0.676 4.681 2.870 1.00 0.00 C ATOM 786 O VAL A 52 -1.731 5.272 3.101 1.00 0.00 O ATOM 787 CB VAL A 52 -0.763 2.199 2.621 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.124 2.468 1.998 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.292 1.986 1.546 1.00 0.00 C ATOM 0 H VAL A 52 -1.949 3.688 4.876 1.00 0.00 H new ATOM 0 HA VAL A 52 0.714 3.298 3.745 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.835 1.287 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.394 1.640 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.871 2.567 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.083 3.391 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.011 1.165 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.398 2.896 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.246 1.745 2.015 1.00 0.00 H new ATOM 799 N ASP A 53 0.242 5.142 2.027 1.00 0.00 N ATOM 800 CA ASP A 53 0.058 6.397 1.308 1.00 0.00 C ATOM 801 C ASP A 53 -0.097 6.148 -0.189 1.00 0.00 C ATOM 802 O ASP A 53 0.818 5.648 -0.844 1.00 0.00 O ATOM 803 CB ASP A 53 1.241 7.333 1.562 1.00 0.00 C ATOM 804 CG ASP A 53 0.853 8.795 1.466 1.00 0.00 C ATOM 805 OD1 ASP A 53 -0.258 9.146 1.918 1.00 0.00 O ATOM 806 OD2 ASP A 53 1.660 9.590 0.941 1.00 0.00 O ATOM 0 H ASP A 53 1.121 4.665 1.825 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.854 6.868 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.653 7.133 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.030 7.121 0.840 1.00 0.00 H new ATOM 811 N VAL A 54 -1.262 6.498 -0.725 1.00 0.00 N ATOM 812 CA VAL A 54 -1.537 6.313 -2.144 1.00 0.00 C ATOM 813 C VAL A 54 -2.258 7.523 -2.727 1.00 0.00 C ATOM 814 O VAL A 54 -3.234 8.011 -2.156 1.00 0.00 O ATOM 815 CB VAL A 54 -2.389 5.054 -2.391 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.641 4.863 -3.879 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.712 3.828 -1.795 1.00 0.00 C ATOM 0 H VAL A 54 -2.031 6.911 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.574 6.194 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.352 5.185 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.244 3.969 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.170 5.731 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.689 4.753 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.327 2.947 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.735 3.691 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.588 3.967 -0.721 1.00 0.00 H new ATOM 827 N ASP A 55 -1.772 8.003 -3.866 1.00 0.00 N ATOM 828 CA ASP A 55 -2.372 9.155 -4.528 1.00 0.00 C ATOM 829 C ASP A 55 -2.561 10.308 -3.547 1.00 0.00 C ATOM 830 O ASP A 55 -3.635 10.903 -3.473 1.00 0.00 O ATOM 831 CB ASP A 55 -3.716 8.772 -5.150 1.00 0.00 C ATOM 832 CG ASP A 55 -4.125 9.711 -6.268 1.00 0.00 C ATOM 833 OD1 ASP A 55 -4.479 10.870 -5.968 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.094 9.285 -7.442 1.00 0.00 O ATOM 0 H ASP A 55 -0.964 7.612 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.696 9.481 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.657 7.755 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.485 8.775 -4.377 1.00 0.00 H new ATOM 839 N GLY A 56 -1.510 10.616 -2.793 1.00 0.00 N ATOM 840 CA GLY A 56 -1.582 11.694 -1.825 1.00 0.00 C ATOM 841 C GLY A 56 -2.656 11.464 -0.779 1.00 0.00 C ATOM 842 O GLY A 56 -3.060 12.393 -0.078 1.00 0.00 O ATOM 0 H GLY A 56 -0.610 10.138 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.616 11.800 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.780 12.632 -2.344 1.00 0.00 H new ATOM 846 N THR A 57 -3.121 10.223 -0.673 1.00 0.00 N ATOM 847 CA THR A 57 -4.156 9.875 0.292 1.00 0.00 C ATOM 848 C THR A 57 -3.688 8.760 1.220 1.00 0.00 C ATOM 849 O THR A 57 -3.367 7.658 0.772 1.00 0.00 O ATOM 850 CB THR A 57 -5.453 9.433 -0.411 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.585 10.109 -1.666 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.666 9.725 0.458 1.00 0.00 C ATOM 0 H THR A 57 -2.797 9.442 -1.244 1.00 0.00 H new ATOM 0 HA THR A 57 -4.357 10.772 0.878 1.00 0.00 H new ATOM 0 HB THR A 57 -5.399 8.358 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.854 9.840 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.570 9.404 -0.060 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.577 9.185 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.722 10.795 0.657 1.00 0.00 H new ATOM 860 N THR A 58 -3.653 9.051 2.517 1.00 0.00 N ATOM 861 CA THR A 58 -3.225 8.073 3.508 1.00 0.00 C ATOM 862 C THR A 58 -4.407 7.263 4.029 1.00 0.00 C ATOM 863 O THR A 58 -5.389 7.823 4.516 1.00 0.00 O ATOM 864 CB THR A 58 -2.519 8.751 4.698 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.496 9.633 4.222 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.908 7.713 5.627 1.00 0.00 C ATOM 0 H THR A 58 -3.916 9.957 2.905 1.00 0.00 H new ATOM 0 HA THR A 58 -2.522 7.406 3.009 1.00 0.00 H new ATOM 0 HB THR A 58 -3.261 9.323 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.331 9.460 3.272 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.415 8.215 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.693 7.061 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.178 7.118 5.078 1.00 0.00 H new ATOM 874 N TYR A 59 -4.307 5.943 3.922 1.00 0.00 N ATOM 875 CA TYR A 59 -5.369 5.056 4.380 1.00 0.00 C ATOM 876 C TYR A 59 -4.921 4.252 5.597 1.00 0.00 C ATOM 877 O TYR A 59 -3.790 3.770 5.652 1.00 0.00 O ATOM 878 CB TYR A 59 -5.792 4.109 3.256 1.00 0.00 C ATOM 879 CG TYR A 59 -6.337 4.820 2.038 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.485 5.306 1.054 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.704 5.005 1.871 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.978 5.957 -0.060 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.206 5.653 0.759 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.340 6.128 -0.203 1.00 0.00 C ATOM 885 OH TYR A 59 -7.835 6.774 -1.312 1.00 0.00 O ATOM 0 H TYR A 59 -3.501 5.463 3.522 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.222 5.671 4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.935 3.504 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.550 3.424 3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.419 5.172 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.385 4.636 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.302 6.330 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.271 5.787 0.644 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.234 6.626 -2.072 1.00 0.00 H new ATOM 895 N GLU A 60 -5.817 4.112 6.568 1.00 0.00 N ATOM 896 CA GLU A 60 -5.514 3.366 7.784 1.00 0.00 C ATOM 897 C GLU A 60 -6.649 2.407 8.132 1.00 0.00 C ATOM 898 O GLU A 60 -7.791 2.824 8.325 1.00 0.00 O ATOM 899 CB GLU A 60 -5.268 4.326 8.950 1.00 0.00 C ATOM 900 CG GLU A 60 -4.417 5.529 8.579 1.00 0.00 C ATOM 901 CD GLU A 60 -5.232 6.654 7.971 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.477 6.561 7.989 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.625 7.628 7.478 1.00 0.00 O ATOM 0 H GLU A 60 -6.758 4.505 6.537 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.611 2.783 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.228 4.674 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.781 3.783 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.905 5.896 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.646 5.220 7.872 1.00 0.00 H new ATOM 910 N ALA A 61 -6.326 1.120 8.209 1.00 0.00 N ATOM 911 CA ALA A 61 -7.317 0.102 8.534 1.00 0.00 C ATOM 912 C ALA A 61 -6.766 -0.896 9.547 1.00 0.00 C ATOM 913 O ALA A 61 -5.691 -1.463 9.353 1.00 0.00 O ATOM 914 CB ALA A 61 -7.767 -0.618 7.272 1.00 0.00 C ATOM 0 H ALA A 61 -5.386 0.758 8.051 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.178 0.598 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.507 -1.376 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.208 0.100 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.908 -1.095 6.800 1.00 0.00 H new ATOM 920 N SER A 62 -7.510 -1.106 10.628 1.00 0.00 N ATOM 921 CA SER A 62 -7.093 -2.033 11.675 1.00 0.00 C ATOM 922 C SER A 62 -7.758 -3.394 11.490 1.00 0.00 C ATOM 923 O SER A 62 -8.880 -3.487 10.997 1.00 0.00 O ATOM 924 CB SER A 62 -7.438 -1.467 13.053 1.00 0.00 C ATOM 925 OG SER A 62 -8.809 -1.117 13.133 1.00 0.00 O ATOM 0 H SER A 62 -8.404 -0.647 10.802 1.00 0.00 H new ATOM 0 HA SER A 62 -6.013 -2.162 11.604 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.202 -2.203 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.823 -0.589 13.253 1.00 0.00 H new ATOM 0 HG SER A 62 -9.004 -0.759 14.024 1.00 0.00 H new ATOM 931 N GLY A 63 -7.054 -4.448 11.892 1.00 0.00 N ATOM 932 CA GLY A 63 -7.590 -5.791 11.763 1.00 0.00 C ATOM 933 C GLY A 63 -7.130 -6.708 12.879 1.00 0.00 C ATOM 934 O GLY A 63 -6.368 -6.313 13.762 1.00 0.00 O ATOM 0 H GLY A 63 -6.123 -4.396 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.679 -5.746 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.286 -6.210 10.804 1.00 0.00 H new ATOM 938 N PRO A 64 -7.599 -7.964 12.849 1.00 0.00 N ATOM 939 CA PRO A 64 -7.245 -8.966 13.859 1.00 0.00 C ATOM 940 C PRO A 64 -5.788 -9.403 13.755 1.00 0.00 C ATOM 941 O PRO A 64 -5.229 -9.962 14.699 1.00 0.00 O ATOM 942 CB PRO A 64 -8.179 -10.136 13.540 1.00 0.00 C ATOM 943 CG PRO A 64 -8.498 -9.983 12.093 1.00 0.00 C ATOM 944 CD PRO A 64 -8.511 -8.503 11.826 1.00 0.00 C ATOM 0 HA PRO A 64 -7.354 -8.580 14.873 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.697 -11.093 13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.081 -10.100 14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.754 -10.485 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.463 -10.431 11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.165 -8.273 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.514 -8.086 11.922 1.00 0.00 H new ATOM 952 N SER A 65 -5.178 -9.145 12.603 1.00 0.00 N ATOM 953 CA SER A 65 -3.786 -9.516 12.375 1.00 0.00 C ATOM 954 C SER A 65 -3.153 -8.623 11.312 1.00 0.00 C ATOM 955 O SER A 65 -3.814 -8.206 10.361 1.00 0.00 O ATOM 956 CB SER A 65 -3.689 -10.982 11.950 1.00 0.00 C ATOM 957 OG SER A 65 -4.192 -11.840 12.959 1.00 0.00 O ATOM 0 H SER A 65 -5.626 -8.681 11.813 1.00 0.00 H new ATOM 0 HA SER A 65 -3.242 -9.380 13.310 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.248 -11.134 11.027 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.650 -11.234 11.738 1.00 0.00 H new ATOM 0 HG SER A 65 -3.622 -12.635 13.027 1.00 0.00 H new ATOM 963 N LYS A 66 -1.867 -8.333 11.481 1.00 0.00 N ATOM 964 CA LYS A 66 -1.142 -7.491 10.537 1.00 0.00 C ATOM 965 C LYS A 66 -1.487 -7.864 9.099 1.00 0.00 C ATOM 966 O LYS A 66 -1.729 -6.994 8.262 1.00 0.00 O ATOM 967 CB LYS A 66 0.366 -7.621 10.761 1.00 0.00 C ATOM 968 CG LYS A 66 1.160 -6.425 10.265 1.00 0.00 C ATOM 969 CD LYS A 66 2.653 -6.624 10.465 1.00 0.00 C ATOM 970 CE LYS A 66 3.014 -6.686 11.942 1.00 0.00 C ATOM 971 NZ LYS A 66 4.473 -6.492 12.165 1.00 0.00 N ATOM 0 H LYS A 66 -1.305 -8.669 12.263 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.441 -6.457 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.556 -7.757 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.724 -8.519 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.952 -6.263 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.838 -5.528 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.968 -7.545 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.197 -5.807 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.459 -5.920 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.709 -7.650 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.678 -6.541 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.002 -7.237 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.760 -5.562 11.799 1.00 0.00 H new ATOM 985 N LYS A 67 -1.509 -9.163 8.818 1.00 0.00 N ATOM 986 CA LYS A 67 -1.827 -9.652 7.482 1.00 0.00 C ATOM 987 C LYS A 67 -3.146 -9.066 6.988 1.00 0.00 C ATOM 988 O LYS A 67 -3.221 -8.523 5.885 1.00 0.00 O ATOM 989 CB LYS A 67 -1.904 -11.180 7.481 1.00 0.00 C ATOM 990 CG LYS A 67 -2.912 -11.740 8.470 1.00 0.00 C ATOM 991 CD LYS A 67 -2.635 -13.201 8.782 1.00 0.00 C ATOM 992 CE LYS A 67 -3.887 -13.912 9.274 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.041 -13.806 10.751 1.00 0.00 N ATOM 0 H LYS A 67 -1.310 -9.896 9.499 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.033 -9.334 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.163 -11.521 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.919 -11.585 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.881 -11.158 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.918 -11.638 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.259 -13.700 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.854 -13.271 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.763 -13.484 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.844 -14.963 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.232 -14.748 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.166 -13.427 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.833 -13.169 10.973 1.00 0.00 H new ATOM 1007 N THR A 68 -4.184 -9.178 7.811 1.00 0.00 N ATOM 1008 CA THR A 68 -5.499 -8.660 7.457 1.00 0.00 C ATOM 1009 C THR A 68 -5.501 -7.135 7.436 1.00 0.00 C ATOM 1010 O THR A 68 -6.197 -6.518 6.631 1.00 0.00 O ATOM 1011 CB THR A 68 -6.579 -9.150 8.440 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.429 -10.555 8.672 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.972 -8.865 7.900 1.00 0.00 C ATOM 0 H THR A 68 -4.139 -9.623 8.728 1.00 0.00 H new ATOM 0 HA THR A 68 -5.729 -9.035 6.460 1.00 0.00 H new ATOM 0 HB THR A 68 -6.455 -8.612 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.118 -10.858 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.718 -9.220 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.093 -7.792 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.105 -9.379 6.948 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.719 -6.535 8.327 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.629 -5.082 8.408 1.00 0.00 C ATOM 1023 C ALA A 69 -4.248 -4.480 7.060 1.00 0.00 C ATOM 1024 O ALA A 69 -4.976 -3.653 6.510 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.622 -4.674 9.474 1.00 0.00 C ATOM 0 H ALA A 69 -4.139 -7.032 9.003 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.610 -4.697 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.565 -3.587 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.937 -5.065 10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.641 -5.078 9.222 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.103 -4.898 6.532 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.625 -4.401 5.248 1.00 0.00 C ATOM 1033 C LYS A 70 -3.665 -4.627 4.155 1.00 0.00 C ATOM 1034 O LYS A 70 -3.872 -3.772 3.293 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.312 -5.089 4.868 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.077 -4.364 5.373 1.00 0.00 C ATOM 1037 CD LYS A 70 1.067 -5.329 5.638 1.00 0.00 C ATOM 1038 CE LYS A 70 1.558 -5.977 4.353 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.949 -6.492 4.488 1.00 0.00 N ATOM 0 H LYS A 70 -2.488 -5.581 6.974 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.452 -3.329 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.315 -6.104 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.256 -5.172 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.235 -3.621 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.319 -3.825 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.890 -4.797 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.739 -6.101 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.892 -6.796 4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.517 -5.251 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.247 -6.926 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.589 -5.706 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.984 -7.204 5.246 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.318 -5.784 4.197 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.338 -6.122 3.211 1.00 0.00 C ATOM 1055 C LEU A 71 -6.512 -5.151 3.286 1.00 0.00 C ATOM 1056 O LEU A 71 -6.944 -4.603 2.272 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.831 -7.554 3.429 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.038 -7.983 2.595 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.587 -8.573 1.268 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.890 -8.982 3.363 1.00 0.00 C ATOM 0 H LEU A 71 -4.159 -6.503 4.903 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.890 -6.045 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.008 -8.236 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.082 -7.674 4.483 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.645 -7.101 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.460 -8.873 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.020 -7.826 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.957 -9.443 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.744 -9.276 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.293 -9.863 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.244 -8.524 4.287 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.023 -4.941 4.496 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.145 -4.034 4.704 1.00 0.00 C ATOM 1074 C HIS A 72 -7.823 -2.641 4.172 1.00 0.00 C ATOM 1075 O HIS A 72 -8.655 -2.005 3.524 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.496 -3.956 6.190 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.215 -5.167 6.700 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -10.042 -5.142 7.803 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.229 -6.443 6.250 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.532 -6.351 8.011 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.054 -7.159 7.082 1.00 0.00 N ATOM 0 H HIS A 72 -6.678 -5.387 5.346 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.002 -4.424 4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.580 -3.819 6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.116 -3.076 6.363 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -10.244 -4.318 8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.691 -6.827 5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.208 -6.631 8.805 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.611 -2.171 4.450 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.180 -0.853 3.999 1.00 0.00 C ATOM 1092 C VAL A 73 -6.317 -0.718 2.487 1.00 0.00 C ATOM 1093 O VAL A 73 -6.871 0.261 1.989 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.718 -0.575 4.398 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.153 0.579 3.583 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.619 -0.285 5.888 1.00 0.00 C ATOM 0 H VAL A 73 -5.910 -2.683 4.985 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.827 -0.124 4.486 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.125 -1.464 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.120 0.761 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.189 0.328 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.745 1.476 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.580 -0.091 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.224 0.589 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.982 -1.145 6.451 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.809 -1.709 1.761 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.877 -1.702 0.305 1.00 0.00 C ATOM 1108 C ALA A 74 -7.317 -1.565 -0.177 1.00 0.00 C ATOM 1109 O ALA A 74 -7.635 -0.682 -0.974 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.248 -2.968 -0.259 1.00 0.00 C ATOM 0 H ALA A 74 -5.346 -2.527 2.158 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.317 -0.839 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.306 -2.949 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.204 -3.023 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.784 -3.839 0.118 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.186 -2.444 0.312 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.593 -2.421 -0.069 1.00 0.00 C ATOM 1118 C VAL A 75 -10.126 -0.993 -0.117 1.00 0.00 C ATOM 1119 O VAL A 75 -10.829 -0.612 -1.054 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.453 -3.245 0.908 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.928 -3.118 0.560 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.018 -4.702 0.901 1.00 0.00 C ATOM 0 H VAL A 75 -7.940 -3.181 0.973 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.659 -2.865 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.307 -2.851 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.519 -3.707 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.228 -2.072 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.096 -3.484 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.636 -5.270 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.132 -5.111 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.973 -4.771 1.204 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.786 -0.206 0.898 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.228 1.182 0.972 1.00 0.00 C ATOM 1134 C LYS A 76 -9.683 1.989 -0.201 1.00 0.00 C ATOM 1135 O LYS A 76 -10.443 2.590 -0.960 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.777 1.812 2.292 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.461 1.222 3.513 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.664 1.483 4.780 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.944 2.869 5.339 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.387 3.059 5.654 1.00 0.00 N ATOM 0 H LYS A 76 -9.205 -0.506 1.681 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.317 1.194 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.699 1.688 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.973 2.884 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.458 1.650 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.588 0.148 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.912 0.731 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.599 1.383 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.352 3.023 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.628 3.622 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.488 3.777 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.890 3.374 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.792 2.159 5.982 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.361 1.998 -0.345 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.715 2.730 -1.428 1.00 0.00 C ATOM 1156 C VAL A 77 -8.461 2.538 -2.744 1.00 0.00 C ATOM 1157 O VAL A 77 -8.832 3.507 -3.407 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.252 2.285 -1.611 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.571 3.116 -2.688 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.497 2.382 -0.294 1.00 0.00 C ATOM 0 H VAL A 77 -7.717 1.507 0.275 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.735 3.785 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.245 1.243 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.538 2.787 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.099 2.990 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.587 4.167 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.465 2.064 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.512 3.413 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.973 1.739 0.446 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.680 1.281 -3.115 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.384 0.961 -4.352 1.00 0.00 C ATOM 1172 C LEU A 78 -10.788 1.555 -4.349 1.00 0.00 C ATOM 1173 O LEU A 78 -11.190 2.226 -5.300 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.460 -0.555 -4.541 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.130 -1.307 -4.479 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.364 -2.810 -4.491 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.231 -0.897 -5.636 1.00 0.00 C ATOM 0 H LEU A 78 -8.380 0.468 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.827 1.397 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.121 -0.964 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.924 -0.758 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.631 -1.045 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.406 -3.328 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.969 -3.091 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.885 -3.090 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.289 -1.442 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.724 -1.129 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.035 0.174 -5.582 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.529 1.306 -3.274 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.888 1.819 -3.147 1.00 0.00 C ATOM 1191 C GLN A 79 -12.926 3.326 -3.382 1.00 0.00 C ATOM 1192 O GLN A 79 -13.880 3.851 -3.953 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.452 1.492 -1.764 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.887 0.043 -1.611 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.944 -0.139 -0.540 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -16.134 -0.253 -0.839 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.516 -0.167 0.716 1.00 0.00 N ATOM 0 H GLN A 79 -11.211 0.752 -2.479 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.504 1.336 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.697 1.718 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.305 2.141 -1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.274 -0.319 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.019 -0.569 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.521 -0.069 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.182 -0.287 1.479 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.881 4.015 -2.935 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.794 5.461 -3.098 1.00 0.00 C ATOM 1208 C ALA A 80 -11.699 5.843 -4.571 1.00 0.00 C ATOM 1209 O ALA A 80 -12.340 6.794 -5.018 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.599 6.008 -2.331 1.00 0.00 C ATOM 0 H ALA A 80 -11.083 3.595 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.705 5.902 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.546 7.089 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.709 5.776 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.684 5.552 -2.709 1.00 0.00 H new ATOM 1216 N MET A 81 -10.894 5.097 -5.320 1.00 0.00 N ATOM 1217 CA MET A 81 -10.716 5.358 -6.744 1.00 0.00 C ATOM 1218 C MET A 81 -11.910 4.848 -7.544 1.00 0.00 C ATOM 1219 O MET A 81 -12.166 5.305 -8.657 1.00 0.00 O ATOM 1220 CB MET A 81 -9.431 4.699 -7.248 1.00 0.00 C ATOM 1221 CG MET A 81 -8.248 4.877 -6.310 1.00 0.00 C ATOM 1222 SD MET A 81 -6.667 4.877 -7.177 1.00 0.00 S ATOM 1223 CE MET A 81 -6.091 3.217 -6.830 1.00 0.00 C ATOM 0 H MET A 81 -10.355 4.307 -4.965 1.00 0.00 H new ATOM 0 HA MET A 81 -10.642 6.436 -6.884 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.612 3.634 -7.394 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.177 5.115 -8.223 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.359 5.815 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.252 4.076 -5.570 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.191 3.265 -6.218 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.865 2.668 -6.294 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.866 2.707 -7.767 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.639 3.896 -6.969 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.798 3.339 -7.643 1.00 0.00 C ATOM 1235 C GLY A 82 -13.501 2.006 -8.300 1.00 0.00 C ATOM 1236 O GLY A 82 -14.103 1.659 -9.316 1.00 0.00 O ATOM 0 H GLY A 82 -12.448 3.500 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.607 3.214 -6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.148 4.043 -8.398 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.570 1.257 -7.720 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.191 -0.044 -8.258 1.00 0.00 C ATOM 1242 C TYR A 83 -12.880 -1.171 -7.494 1.00 0.00 C ATOM 1243 O TYR A 83 -13.208 -1.046 -6.314 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.673 -0.224 -8.194 1.00 0.00 C ATOM 1245 CG TYR A 83 -9.935 0.459 -9.324 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.196 0.131 -10.648 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -8.976 1.431 -9.066 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.523 0.751 -11.684 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.300 2.057 -10.095 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.577 1.714 -11.402 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.904 2.335 -12.429 1.00 0.00 O ATOM 0 H TYR A 83 -12.064 1.529 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.512 -0.085 -9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.309 0.167 -7.244 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.441 -1.289 -8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.938 -0.621 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.756 1.701 -8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.737 0.483 -12.708 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.558 2.811 -9.877 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.274 2.988 -12.059 1.00 0.00 H new