USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 89 ASN : amide:sc= -1.39 K(o=-0.88,f=-2.7!) USER MOD Set 1.2: A 116 SER OG : rot 32:sc= 0.518 USER MOD Set 2.1: A 98 ASN : amide:sc= -0.53! C(o=-0.48!,f=-7.7!) USER MOD Set 2.2: A 100 TYR OH : rot 180:sc= 0.0523 USER MOD Set 3.1: A 66 GLN : amide:sc= 0.943 K(o=1.8,f=-2.8!) USER MOD Set 3.2: A 115 TYR OH : rot -44:sc= 0.86 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 100:sc= -0.35 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.056) USER MOD Single : A 74 SER OG : rot -160:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 95 THR OG1 : rot -130:sc= -2.22! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 111 SER OG : rot -68:sc= 1.03 USER MOD Single : A 114 ASN : amide:sc= 0.828! C(o=0.83!,f=-14!) USER MOD Single : A 117 HIS : no HD1:sc= -0.0975 X(o=-0.097,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.032 -2.268 0.679 1.00 0.00 N ATOM 230 CA TYR A 59 -13.976 -2.425 -0.317 1.00 0.00 C ATOM 231 C TYR A 59 -12.913 -1.347 -0.115 1.00 0.00 C ATOM 232 O TYR A 59 -13.224 -0.246 0.342 1.00 0.00 O ATOM 233 CB TYR A 59 -14.557 -2.304 -1.733 1.00 0.00 C ATOM 234 CG TYR A 59 -14.933 -3.621 -2.378 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.014 -4.330 -3.140 1.00 0.00 C ATOM 236 CD2 TYR A 59 -16.210 -4.145 -2.237 1.00 0.00 C ATOM 237 CE1 TYR A 59 -14.358 -5.529 -3.738 1.00 0.00 C ATOM 238 CE2 TYR A 59 -16.561 -5.341 -2.833 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.632 -6.027 -3.581 1.00 0.00 C ATOM 240 OH TYR A 59 -15.978 -7.215 -4.178 1.00 0.00 O ATOM 0 HA TYR A 59 -13.527 -3.411 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.442 -1.668 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.829 -1.799 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.015 -3.939 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.942 -3.609 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.631 -6.071 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -17.559 -5.735 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.912 -7.427 -3.968 1.00 0.00 H new ATOM 250 N CYS A 60 -11.667 -1.656 -0.463 1.00 0.00 N ATOM 251 CA CYS A 60 -10.580 -0.682 -0.321 1.00 0.00 C ATOM 252 C CYS A 60 -10.583 0.298 -1.495 1.00 0.00 C ATOM 253 O CYS A 60 -11.311 0.112 -2.469 1.00 0.00 O ATOM 254 CB CYS A 60 -9.220 -1.386 -0.216 1.00 0.00 C ATOM 255 SG CYS A 60 -8.802 -1.941 1.467 1.00 0.00 S ATOM 0 H CYS A 60 -11.383 -2.560 -0.841 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.745 -0.124 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.216 -2.248 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.443 -0.707 -0.567 1.00 0.00 H new ATOM 260 N ASN A 61 -9.770 1.344 -1.398 1.00 0.00 N ATOM 261 CA ASN A 61 -9.692 2.352 -2.458 1.00 0.00 C ATOM 262 C ASN A 61 -8.286 2.937 -2.577 1.00 0.00 C ATOM 263 O ASN A 61 -7.609 3.152 -1.570 1.00 0.00 O ATOM 264 CB ASN A 61 -10.705 3.471 -2.196 1.00 0.00 C ATOM 265 CG ASN A 61 -11.077 4.226 -3.456 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.166 4.058 -3.995 1.00 0.00 O ATOM 267 ND2 ASN A 61 -10.179 5.077 -3.929 1.00 0.00 N ATOM 0 H ASN A 61 -9.157 1.519 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.930 1.861 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.605 3.045 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.291 4.168 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.383 5.619 -4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.284 5.190 -3.454 1.00 0.00 H new ATOM 274 N THR A 62 -7.870 3.194 -3.822 1.00 0.00 N ATOM 275 CA THR A 62 -6.545 3.758 -4.128 1.00 0.00 C ATOM 276 C THR A 62 -6.171 4.896 -3.182 1.00 0.00 C ATOM 277 O THR A 62 -6.545 6.047 -3.409 1.00 0.00 O ATOM 278 CB THR A 62 -6.502 4.257 -5.577 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.394 3.514 -6.398 1.00 0.00 O ATOM 280 CG2 THR A 62 -5.122 4.174 -6.196 1.00 0.00 C ATOM 0 H THR A 62 -8.441 3.018 -4.649 1.00 0.00 H new ATOM 0 HA THR A 62 -5.817 2.959 -3.991 1.00 0.00 H new ATOM 0 HB THR A 62 -6.799 5.305 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.351 3.851 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.160 4.542 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.427 4.783 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.785 3.138 -6.195 1.00 0.00 H new ATOM 288 N THR A 63 -5.432 4.561 -2.125 1.00 0.00 N ATOM 289 CA THR A 63 -5.003 5.552 -1.133 1.00 0.00 C ATOM 290 C THR A 63 -3.563 5.326 -0.682 1.00 0.00 C ATOM 291 O THR A 63 -2.978 4.275 -0.941 1.00 0.00 O ATOM 292 CB THR A 63 -5.917 5.514 0.093 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.879 6.764 0.770 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.545 4.433 1.093 1.00 0.00 C ATOM 0 H THR A 63 -5.117 3.610 -1.932 1.00 0.00 H new ATOM 0 HA THR A 63 -5.065 6.527 -1.616 1.00 0.00 H new ATOM 0 HB THR A 63 -6.914 5.294 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.468 6.730 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.235 4.464 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.604 3.457 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.529 4.601 1.449 1.00 0.00 H new ATOM 302 N LEU A 64 -3.013 6.307 0.027 1.00 0.00 N ATOM 303 CA LEU A 64 -1.656 6.214 0.556 1.00 0.00 C ATOM 304 C LEU A 64 -1.710 5.998 2.066 1.00 0.00 C ATOM 305 O LEU A 64 -2.661 6.426 2.724 1.00 0.00 O ATOM 306 CB LEU A 64 -0.862 7.480 0.226 1.00 0.00 C ATOM 307 CG LEU A 64 0.658 7.324 0.258 1.00 0.00 C ATOM 308 CD1 LEU A 64 1.280 7.882 -1.012 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.238 8.015 1.480 1.00 0.00 C ATOM 0 H LEU A 64 -3.490 7.181 0.250 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.151 5.367 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.155 7.824 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.146 8.261 0.931 1.00 0.00 H new ATOM 0 HG LEU A 64 0.892 6.261 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.363 7.762 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.888 7.345 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.036 8.940 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.321 7.894 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.992 9.076 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.818 7.571 2.383 1.00 0.00 H new ATOM 321 N ASP A 65 -0.703 5.322 2.612 1.00 0.00 N ATOM 322 CA ASP A 65 -0.678 5.046 4.050 1.00 0.00 C ATOM 323 C ASP A 65 0.716 4.621 4.543 1.00 0.00 C ATOM 324 O ASP A 65 1.307 3.654 4.043 1.00 0.00 O ATOM 325 CB ASP A 65 -1.719 3.964 4.369 1.00 0.00 C ATOM 326 CG ASP A 65 -2.100 3.904 5.837 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.187 3.868 6.693 1.00 0.00 O ATOM 328 OD2 ASP A 65 -3.311 3.854 6.127 1.00 0.00 O ATOM 0 H ASP A 65 0.096 4.959 2.092 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.923 5.968 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.615 4.148 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.328 2.994 4.063 1.00 0.00 H new ATOM 333 N GLN A 66 1.221 5.353 5.543 1.00 0.00 N ATOM 334 CA GLN A 66 2.533 5.088 6.151 1.00 0.00 C ATOM 335 C GLN A 66 3.687 5.350 5.179 1.00 0.00 C ATOM 336 O GLN A 66 4.515 6.228 5.420 1.00 0.00 O ATOM 337 CB GLN A 66 2.607 3.655 6.690 1.00 0.00 C ATOM 338 CG GLN A 66 2.809 3.578 8.199 1.00 0.00 C ATOM 339 CD GLN A 66 4.134 4.170 8.654 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.195 3.802 8.155 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.080 5.088 9.608 1.00 0.00 N ATOM 0 H GLN A 66 0.732 6.147 5.955 1.00 0.00 H new ATOM 0 HA GLN A 66 2.641 5.784 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.689 3.130 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.426 3.132 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.993 4.103 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.756 2.536 8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.179 5.367 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.939 5.516 9.953 1.00 0.00 H new ATOM 350 N ILE A 67 3.744 4.592 4.087 1.00 0.00 N ATOM 351 CA ILE A 67 4.804 4.760 3.096 1.00 0.00 C ATOM 352 C ILE A 67 4.280 5.413 1.818 1.00 0.00 C ATOM 353 O ILE A 67 3.068 5.506 1.601 1.00 0.00 O ATOM 354 CB ILE A 67 5.481 3.417 2.742 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.455 2.285 2.650 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.548 3.082 3.770 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.968 1.069 1.909 1.00 0.00 C ATOM 0 H ILE A 67 3.071 3.858 3.866 1.00 0.00 H new ATOM 0 HA ILE A 67 5.546 5.415 3.552 1.00 0.00 H new ATOM 0 HB ILE A 67 5.951 3.522 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.159 1.990 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.560 2.655 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.018 2.134 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.302 3.869 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.091 3.002 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.191 0.305 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.238 1.350 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.846 0.675 2.421 1.00 0.00 H new ATOM 369 N GLY A 68 5.206 5.866 0.971 1.00 0.00 N ATOM 370 CA GLY A 68 4.828 6.512 -0.279 1.00 0.00 C ATOM 371 C GLY A 68 4.311 5.534 -1.317 1.00 0.00 C ATOM 372 O GLY A 68 4.906 5.383 -2.384 1.00 0.00 O ATOM 0 H GLY A 68 6.211 5.797 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.061 7.260 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.691 7.041 -0.684 1.00 0.00 H new ATOM 376 N THR A 69 3.197 4.870 -1.005 1.00 0.00 N ATOM 377 CA THR A 69 2.597 3.901 -1.926 1.00 0.00 C ATOM 378 C THR A 69 1.072 4.010 -1.930 1.00 0.00 C ATOM 379 O THR A 69 0.447 4.187 -0.883 1.00 0.00 O ATOM 380 CB THR A 69 3.023 2.473 -1.565 1.00 0.00 C ATOM 381 OG1 THR A 69 2.839 1.611 -2.673 1.00 0.00 O ATOM 382 CG2 THR A 69 2.263 1.877 -0.401 1.00 0.00 C ATOM 0 H THR A 69 2.693 4.984 -0.126 1.00 0.00 H new ATOM 0 HA THR A 69 2.958 4.132 -2.928 1.00 0.00 H new ATOM 0 HB THR A 69 4.072 2.555 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.697 1.471 -3.125 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.624 0.866 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.417 2.491 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.200 1.843 -0.639 1.00 0.00 H new ATOM 390 N CYS A 70 0.478 3.903 -3.119 1.00 0.00 N ATOM 391 CA CYS A 70 -0.974 3.990 -3.256 1.00 0.00 C ATOM 392 C CYS A 70 -1.604 2.600 -3.328 1.00 0.00 C ATOM 393 O CYS A 70 -1.258 1.792 -4.194 1.00 0.00 O ATOM 394 CB CYS A 70 -1.350 4.805 -4.497 1.00 0.00 C ATOM 395 SG CYS A 70 -0.801 6.543 -4.438 1.00 0.00 S ATOM 0 H CYS A 70 0.978 3.757 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.363 4.496 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.918 4.328 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.433 4.781 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.162 7.149 -5.530 1.00 0.00 H new ATOM 400 N TRP A 71 -2.528 2.335 -2.410 1.00 0.00 N ATOM 401 CA TRP A 71 -3.219 1.047 -2.343 1.00 0.00 C ATOM 402 C TRP A 71 -4.592 1.131 -3.007 1.00 0.00 C ATOM 403 O TRP A 71 -5.543 1.640 -2.413 1.00 0.00 O ATOM 404 CB TRP A 71 -3.357 0.608 -0.882 1.00 0.00 C ATOM 405 CG TRP A 71 -2.079 0.731 -0.116 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.582 1.854 0.480 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.128 -0.307 0.120 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.373 1.574 1.068 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.075 0.252 0.862 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.067 -1.658 -0.224 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.028 -0.492 1.262 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.026 -2.398 0.174 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.062 -1.816 0.910 1.00 0.00 C ATOM 0 H TRP A 71 -2.819 3.001 -1.694 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.629 0.307 -2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.125 1.211 -0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.697 -0.427 -0.849 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.067 2.819 0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.208 2.241 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.863 -2.116 -0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.830 -0.043 1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.083 -3.444 -0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.906 -2.421 1.207 1.00 0.00 H new ATOM 424 N PRO A 72 -4.707 0.646 -4.263 1.00 0.00 N ATOM 425 CA PRO A 72 -5.968 0.682 -5.029 1.00 0.00 C ATOM 426 C PRO A 72 -7.097 -0.141 -4.407 1.00 0.00 C ATOM 427 O PRO A 72 -6.924 -0.801 -3.379 1.00 0.00 O ATOM 428 CB PRO A 72 -5.583 0.097 -6.394 1.00 0.00 C ATOM 429 CG PRO A 72 -4.329 -0.671 -6.152 1.00 0.00 C ATOM 430 CD PRO A 72 -3.610 0.041 -5.043 1.00 0.00 C ATOM 0 HA PRO A 72 -6.363 1.697 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.371 -0.548 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.426 0.886 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.551 -1.701 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.716 -0.709 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.019 -0.648 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.925 0.797 -5.427 1.00 0.00 H new ATOM 438 N GLN A 73 -8.258 -0.103 -5.064 1.00 0.00 N ATOM 439 CA GLN A 73 -9.429 -0.847 -4.613 1.00 0.00 C ATOM 440 C GLN A 73 -9.188 -2.349 -4.779 1.00 0.00 C ATOM 441 O GLN A 73 -8.827 -2.812 -5.860 1.00 0.00 O ATOM 442 CB GLN A 73 -10.668 -0.391 -5.404 1.00 0.00 C ATOM 443 CG GLN A 73 -11.783 -1.429 -5.502 1.00 0.00 C ATOM 444 CD GLN A 73 -11.929 -2.003 -6.900 1.00 0.00 C ATOM 445 OE1 GLN A 73 -11.986 -3.215 -7.078 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.996 -1.133 -7.900 1.00 0.00 N ATOM 0 H GLN A 73 -8.410 0.439 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.605 -0.648 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.069 0.509 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.357 -0.116 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.582 -2.239 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.726 -0.973 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.945 -0.132 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.099 -1.465 -8.859 1.00 0.00 H new ATOM 455 N SER A 74 -9.366 -3.100 -3.697 1.00 0.00 N ATOM 456 CA SER A 74 -9.144 -4.540 -3.724 1.00 0.00 C ATOM 457 C SER A 74 -10.426 -5.298 -3.348 1.00 0.00 C ATOM 458 O SER A 74 -11.385 -5.313 -4.117 1.00 0.00 O ATOM 459 CB SER A 74 -7.982 -4.893 -2.787 1.00 0.00 C ATOM 460 OG SER A 74 -7.657 -6.270 -2.868 1.00 0.00 O ATOM 0 H SER A 74 -9.663 -2.735 -2.792 1.00 0.00 H new ATOM 0 HA SER A 74 -8.878 -4.846 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.108 -4.295 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.249 -4.640 -1.761 1.00 0.00 H new ATOM 0 HG SER A 74 -7.158 -6.536 -2.068 1.00 0.00 H new ATOM 466 N ALA A 75 -10.444 -5.913 -2.167 1.00 0.00 N ATOM 467 CA ALA A 75 -11.612 -6.656 -1.704 1.00 0.00 C ATOM 468 C ALA A 75 -11.671 -6.676 -0.177 1.00 0.00 C ATOM 469 O ALA A 75 -10.636 -6.606 0.492 1.00 0.00 O ATOM 470 CB ALA A 75 -11.588 -8.074 -2.259 1.00 0.00 C ATOM 0 H ALA A 75 -9.661 -5.911 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.508 -6.154 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.464 -8.618 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.597 -8.039 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.685 -8.582 -1.920 1.00 0.00 H new ATOM 476 N PRO A 76 -12.882 -6.771 0.399 1.00 0.00 N ATOM 477 CA PRO A 76 -13.057 -6.801 1.855 1.00 0.00 C ATOM 478 C PRO A 76 -12.500 -8.085 2.473 1.00 0.00 C ATOM 479 O PRO A 76 -13.139 -9.138 2.428 1.00 0.00 O ATOM 480 CB PRO A 76 -14.576 -6.715 2.030 1.00 0.00 C ATOM 481 CG PRO A 76 -15.131 -7.271 0.765 1.00 0.00 C ATOM 482 CD PRO A 76 -14.171 -6.859 -0.315 1.00 0.00 C ATOM 0 HA PRO A 76 -12.520 -5.996 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.909 -7.289 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.900 -5.686 2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.218 -8.356 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.130 -6.881 0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.135 -7.590 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.451 -5.905 -0.761 1.00 0.00 H new ATOM 490 N GLY A 77 -11.298 -7.989 3.035 1.00 0.00 N ATOM 491 CA GLY A 77 -10.656 -9.145 3.643 1.00 0.00 C ATOM 492 C GLY A 77 -9.630 -9.781 2.726 1.00 0.00 C ATOM 493 O GLY A 77 -9.702 -10.977 2.445 1.00 0.00 O ATOM 0 H GLY A 77 -10.754 -7.127 3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.172 -8.843 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.414 -9.883 3.904 1.00 0.00 H new ATOM 497 N ALA A 78 -8.672 -8.982 2.255 1.00 0.00 N ATOM 498 CA ALA A 78 -7.632 -9.466 1.360 1.00 0.00 C ATOM 499 C ALA A 78 -6.323 -8.705 1.570 1.00 0.00 C ATOM 500 O ALA A 78 -6.324 -7.527 1.934 1.00 0.00 O ATOM 501 CB ALA A 78 -8.090 -9.343 -0.088 1.00 0.00 C ATOM 0 H ALA A 78 -8.599 -7.991 2.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.449 -10.516 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.305 -9.708 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.993 -9.935 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.300 -8.298 -0.316 1.00 0.00 H new ATOM 507 N LEU A 79 -5.216 -9.390 1.338 1.00 0.00 N ATOM 508 CA LEU A 79 -3.885 -8.800 1.492 1.00 0.00 C ATOM 509 C LEU A 79 -3.382 -8.216 0.168 1.00 0.00 C ATOM 510 O LEU A 79 -3.383 -8.892 -0.861 1.00 0.00 O ATOM 511 CB LEU A 79 -2.892 -9.855 2.007 1.00 0.00 C ATOM 512 CG LEU A 79 -1.553 -9.313 2.537 1.00 0.00 C ATOM 513 CD1 LEU A 79 -0.813 -8.542 1.457 1.00 0.00 C ATOM 514 CD2 LEU A 79 -1.771 -8.435 3.758 1.00 0.00 C ATOM 0 H LEU A 79 -5.207 -10.365 1.039 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.959 -7.990 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.374 -10.421 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.684 -10.556 1.199 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.940 -10.166 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.130 -8.170 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.614 -9.201 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.424 -7.702 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.811 -8.063 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.410 -7.593 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.250 -9.018 4.545 1.00 0.00 H new ATOM 526 N VAL A 80 -2.934 -6.960 0.213 1.00 0.00 N ATOM 527 CA VAL A 80 -2.401 -6.287 -0.971 1.00 0.00 C ATOM 528 C VAL A 80 -0.927 -5.933 -0.754 1.00 0.00 C ATOM 529 O VAL A 80 -0.538 -5.494 0.331 1.00 0.00 O ATOM 530 CB VAL A 80 -3.207 -5.013 -1.308 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.603 -4.278 -2.496 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.662 -5.366 -1.587 1.00 0.00 C ATOM 0 H VAL A 80 -2.930 -6.389 1.058 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.489 -6.972 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.164 -4.349 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.192 -3.386 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.578 -3.989 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.606 -4.932 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.218 -4.459 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.714 -6.053 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.097 -5.839 -0.707 1.00 0.00 H new ATOM 542 N GLU A 81 -0.102 -6.149 -1.779 1.00 0.00 N ATOM 543 CA GLU A 81 1.331 -5.873 -1.671 1.00 0.00 C ATOM 544 C GLU A 81 1.766 -4.678 -2.519 1.00 0.00 C ATOM 545 O GLU A 81 1.174 -4.376 -3.563 1.00 0.00 O ATOM 546 CB GLU A 81 2.134 -7.108 -2.074 1.00 0.00 C ATOM 547 CG GLU A 81 1.956 -8.281 -1.125 1.00 0.00 C ATOM 548 CD GLU A 81 1.394 -9.506 -1.812 1.00 0.00 C ATOM 549 OE1 GLU A 81 2.151 -10.169 -2.552 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.199 -9.800 -1.613 1.00 0.00 O ATOM 0 H GLU A 81 -0.398 -6.511 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 81 1.528 -5.621 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.837 -7.414 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.191 -6.845 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.918 -8.530 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.292 -7.988 -0.312 1.00 0.00 H new ATOM 557 N ARG A 82 2.818 -4.007 -2.059 1.00 0.00 N ATOM 558 CA ARG A 82 3.363 -2.846 -2.755 1.00 0.00 C ATOM 559 C ARG A 82 4.891 -2.857 -2.705 1.00 0.00 C ATOM 560 O ARG A 82 5.483 -3.391 -1.763 1.00 0.00 O ATOM 561 CB ARG A 82 2.818 -1.554 -2.142 1.00 0.00 C ATOM 562 CG ARG A 82 1.324 -1.364 -2.354 1.00 0.00 C ATOM 563 CD ARG A 82 1.001 -0.946 -3.780 1.00 0.00 C ATOM 564 NE ARG A 82 0.862 -2.099 -4.680 1.00 0.00 N ATOM 565 CZ ARG A 82 0.605 -1.999 -5.980 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.432 -0.815 -6.535 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.511 -3.082 -6.724 1.00 0.00 N ATOM 0 H ARG A 82 3.313 -4.250 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 82 3.053 -2.894 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.028 -1.552 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.349 -0.705 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.804 -2.293 -2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.952 -0.609 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.076 -0.369 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.789 -0.290 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 82 0.969 -3.032 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.495 0.029 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.235 -0.744 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.636 -4.003 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.314 -3.000 -7.721 1.00 0.00 H new ATOM 581 N PRO A 83 5.551 -2.277 -3.723 1.00 0.00 N ATOM 582 CA PRO A 83 7.020 -2.230 -3.796 1.00 0.00 C ATOM 583 C PRO A 83 7.655 -1.521 -2.597 1.00 0.00 C ATOM 584 O PRO A 83 7.155 -0.492 -2.130 1.00 0.00 O ATOM 585 CB PRO A 83 7.297 -1.445 -5.086 1.00 0.00 C ATOM 586 CG PRO A 83 6.019 -0.743 -5.402 1.00 0.00 C ATOM 587 CD PRO A 83 4.926 -1.631 -4.888 1.00 0.00 C ATOM 0 HA PRO A 83 7.449 -3.232 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.112 -0.735 -4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.590 -2.112 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.983 0.237 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.918 -0.580 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.040 -1.061 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.613 -2.360 -5.635 1.00 0.00 H new ATOM 595 N CYS A 84 8.767 -2.076 -2.106 1.00 0.00 N ATOM 596 CA CYS A 84 9.481 -1.489 -0.969 1.00 0.00 C ATOM 597 C CYS A 84 9.964 -0.081 -1.326 1.00 0.00 C ATOM 598 O CYS A 84 10.431 0.156 -2.439 1.00 0.00 O ATOM 599 CB CYS A 84 10.669 -2.365 -0.568 1.00 0.00 C ATOM 600 SG CYS A 84 11.024 -2.376 1.220 1.00 0.00 S ATOM 0 H CYS A 84 9.190 -2.927 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 84 8.796 -1.428 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.478 -3.387 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.556 -2.020 -1.100 1.00 0.00 H new ATOM 605 N PRO A 85 9.840 0.878 -0.390 1.00 0.00 N ATOM 606 CA PRO A 85 10.244 2.278 -0.626 1.00 0.00 C ATOM 607 C PRO A 85 11.756 2.483 -0.772 1.00 0.00 C ATOM 608 O PRO A 85 12.188 3.417 -1.449 1.00 0.00 O ATOM 609 CB PRO A 85 9.728 3.005 0.619 1.00 0.00 C ATOM 610 CG PRO A 85 9.653 1.955 1.673 1.00 0.00 C ATOM 611 CD PRO A 85 9.275 0.688 0.959 1.00 0.00 C ATOM 0 HA PRO A 85 9.840 2.644 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.400 3.812 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.751 3.454 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.609 1.845 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.913 2.213 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.693 -0.191 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.194 0.551 0.927 1.00 0.00 H new ATOM 619 N GLU A 86 12.555 1.634 -0.118 1.00 0.00 N ATOM 620 CA GLU A 86 14.017 1.758 -0.163 1.00 0.00 C ATOM 621 C GLU A 86 14.445 3.203 0.148 1.00 0.00 C ATOM 622 O GLU A 86 15.317 3.765 -0.520 1.00 0.00 O ATOM 623 CB GLU A 86 14.565 1.327 -1.528 1.00 0.00 C ATOM 624 CG GLU A 86 16.058 1.004 -1.495 1.00 0.00 C ATOM 625 CD GLU A 86 16.677 0.843 -2.871 1.00 0.00 C ATOM 626 OE1 GLU A 86 16.516 1.752 -3.710 1.00 0.00 O ATOM 627 OE2 GLU A 86 17.337 -0.191 -3.104 1.00 0.00 O ATOM 0 H GLU A 86 12.216 0.856 0.447 1.00 0.00 H new ATOM 0 HA GLU A 86 14.433 1.096 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.017 0.451 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.386 2.121 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.581 1.798 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.210 0.085 -0.928 1.00 0.00 H new ATOM 634 N TYR A 87 13.814 3.802 1.164 1.00 0.00 N ATOM 635 CA TYR A 87 14.121 5.184 1.557 1.00 0.00 C ATOM 636 C TYR A 87 13.418 5.577 2.863 1.00 0.00 C ATOM 637 O TYR A 87 14.037 6.146 3.763 1.00 0.00 O ATOM 638 CB TYR A 87 13.717 6.148 0.433 1.00 0.00 C ATOM 639 CG TYR A 87 14.171 7.575 0.653 1.00 0.00 C ATOM 640 CD1 TYR A 87 15.442 7.987 0.274 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.326 8.511 1.234 1.00 0.00 C ATOM 642 CE1 TYR A 87 15.859 9.290 0.470 1.00 0.00 C ATOM 643 CE2 TYR A 87 13.735 9.818 1.431 1.00 0.00 C ATOM 644 CZ TYR A 87 15.002 10.201 1.047 1.00 0.00 C ATOM 645 OH TYR A 87 15.412 11.500 1.241 1.00 0.00 O ATOM 0 H TYR A 87 13.091 3.355 1.727 1.00 0.00 H new ATOM 0 HA TYR A 87 15.195 5.249 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 87 14.132 5.787 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.632 6.135 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.116 7.277 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.333 8.214 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.852 9.592 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.065 10.534 1.883 1.00 0.00 H new ATOM 0 HH TYR A 87 14.688 12.013 1.657 1.00 0.00 H new ATOM 655 N PHE A 88 12.120 5.277 2.952 1.00 0.00 N ATOM 656 CA PHE A 88 11.316 5.609 4.139 1.00 0.00 C ATOM 657 C PHE A 88 11.893 5.035 5.438 1.00 0.00 C ATOM 658 O PHE A 88 11.551 5.488 6.528 1.00 0.00 O ATOM 659 CB PHE A 88 9.872 5.138 3.945 1.00 0.00 C ATOM 660 CG PHE A 88 9.041 6.084 3.125 1.00 0.00 C ATOM 661 CD1 PHE A 88 9.204 6.158 1.750 1.00 0.00 C ATOM 662 CD2 PHE A 88 8.103 6.906 3.729 1.00 0.00 C ATOM 663 CE1 PHE A 88 8.447 7.032 0.993 1.00 0.00 C ATOM 664 CE2 PHE A 88 7.343 7.781 2.977 1.00 0.00 C ATOM 665 CZ PHE A 88 7.515 7.845 1.609 1.00 0.00 C ATOM 0 H PHE A 88 11.598 4.803 2.215 1.00 0.00 H new ATOM 0 HA PHE A 88 11.340 6.694 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.878 4.160 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.405 5.009 4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.932 5.525 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.965 6.862 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.584 7.079 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.614 8.415 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.922 8.530 1.021 1.00 0.00 H new ATOM 675 N ASN A 89 12.773 4.051 5.317 1.00 0.00 N ATOM 676 CA ASN A 89 13.408 3.427 6.483 1.00 0.00 C ATOM 677 C ASN A 89 14.775 4.055 6.783 1.00 0.00 C ATOM 678 O ASN A 89 15.557 3.501 7.558 1.00 0.00 O ATOM 679 CB ASN A 89 13.578 1.924 6.245 1.00 0.00 C ATOM 680 CG ASN A 89 12.301 1.142 6.472 1.00 0.00 C ATOM 681 OD1 ASN A 89 11.766 1.099 7.580 1.00 0.00 O ATOM 682 ND2 ASN A 89 11.809 0.510 5.420 1.00 0.00 N ATOM 0 H ASN A 89 13.068 3.662 4.422 1.00 0.00 H new ATOM 0 HA ASN A 89 12.759 3.594 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.922 1.760 5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.354 1.542 6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.954 -0.040 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.284 0.572 4.520 1.00 0.00 H new ATOM 689 N GLY A 90 15.071 5.197 6.151 1.00 0.00 N ATOM 690 CA GLY A 90 16.357 5.848 6.356 1.00 0.00 C ATOM 691 C GLY A 90 17.481 5.152 5.605 1.00 0.00 C ATOM 692 O GLY A 90 18.655 5.389 5.883 1.00 0.00 O ATOM 0 H GLY A 90 14.445 5.678 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.293 6.886 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.589 5.863 7.421 1.00 0.00 H new ATOM 696 N ILE A 91 17.119 4.292 4.648 1.00 0.00 N ATOM 697 CA ILE A 91 18.099 3.560 3.854 1.00 0.00 C ATOM 698 C ILE A 91 17.840 3.757 2.362 1.00 0.00 C ATOM 699 O ILE A 91 16.703 3.653 1.902 1.00 0.00 O ATOM 700 CB ILE A 91 18.080 2.053 4.209 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.922 1.790 5.460 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.582 1.203 3.050 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.246 2.526 5.481 1.00 0.00 C ATOM 0 H ILE A 91 16.149 4.088 4.407 1.00 0.00 H new ATOM 0 HA ILE A 91 19.087 3.956 4.089 1.00 0.00 H new ATOM 0 HB ILE A 91 17.046 1.771 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.345 2.076 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.112 0.720 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.556 0.151 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.945 1.361 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.606 1.488 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.781 2.286 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.845 2.222 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.066 3.600 5.436 1.00 0.00 H new ATOM 715 N LYS A 92 18.904 4.062 1.625 1.00 0.00 N ATOM 716 CA LYS A 92 18.816 4.307 0.184 1.00 0.00 C ATOM 717 C LYS A 92 19.495 3.186 -0.623 1.00 0.00 C ATOM 718 O LYS A 92 20.351 3.443 -1.469 1.00 0.00 O ATOM 719 CB LYS A 92 19.461 5.671 -0.106 1.00 0.00 C ATOM 720 CG LYS A 92 19.623 6.014 -1.580 1.00 0.00 C ATOM 721 CD LYS A 92 21.033 6.518 -1.872 1.00 0.00 C ATOM 722 CE LYS A 92 22.067 5.403 -1.788 1.00 0.00 C ATOM 723 NZ LYS A 92 23.461 5.940 -1.766 1.00 0.00 N ATOM 0 H LYS A 92 19.847 4.147 2.004 1.00 0.00 H new ATOM 0 HA LYS A 92 17.770 4.316 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.859 6.447 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.443 5.698 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.415 5.133 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.895 6.775 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.060 6.963 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.290 7.305 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.891 4.811 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.949 4.733 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.136 5.151 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.637 6.484 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.581 6.560 -0.939 1.00 0.00 H new ATOM 737 N TYR A 93 19.111 1.939 -0.361 1.00 0.00 N ATOM 738 CA TYR A 93 19.697 0.800 -1.076 1.00 0.00 C ATOM 739 C TYR A 93 19.260 -0.532 -0.480 1.00 0.00 C ATOM 740 O TYR A 93 18.889 -0.608 0.694 1.00 0.00 O ATOM 741 CB TYR A 93 21.239 0.874 -1.068 1.00 0.00 C ATOM 742 CG TYR A 93 21.841 1.411 0.220 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.280 1.112 1.455 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.970 2.219 0.196 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.823 1.601 2.625 1.00 0.00 C ATOM 746 CE2 TYR A 93 23.520 2.713 1.366 1.00 0.00 C ATOM 747 CZ TYR A 93 22.942 2.402 2.577 1.00 0.00 C ATOM 748 OH TYR A 93 23.486 2.889 3.741 1.00 0.00 O ATOM 0 H TYR A 93 18.405 1.689 0.332 1.00 0.00 H new ATOM 0 HA TYR A 93 19.334 0.858 -2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.638 -0.123 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.563 1.505 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.402 0.485 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 93 23.426 2.466 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.372 1.356 3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 93 24.399 3.340 1.330 1.00 0.00 H new ATOM 0 HH TYR A 93 24.272 3.436 3.531 1.00 0.00 H new ATOM 758 N ASN A 94 19.337 -1.582 -1.297 1.00 0.00 N ATOM 759 CA ASN A 94 18.985 -2.933 -0.866 1.00 0.00 C ATOM 760 C ASN A 94 17.502 -3.052 -0.501 1.00 0.00 C ATOM 761 O ASN A 94 17.012 -2.374 0.399 1.00 0.00 O ATOM 762 CB ASN A 94 19.870 -3.331 0.317 1.00 0.00 C ATOM 763 CG ASN A 94 21.312 -3.541 -0.099 1.00 0.00 C ATOM 764 OD1 ASN A 94 21.993 -2.603 -0.513 1.00 0.00 O ATOM 765 ND2 ASN A 94 21.786 -4.772 -0.001 1.00 0.00 N ATOM 0 H ASN A 94 19.643 -1.521 -2.268 1.00 0.00 H new ATOM 0 HA ASN A 94 19.158 -3.615 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.822 -2.556 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.485 -4.247 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.749 -4.971 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.189 -5.522 0.347 1.00 0.00 H new ATOM 772 N THR A 95 16.791 -3.922 -1.211 1.00 0.00 N ATOM 773 CA THR A 95 15.368 -4.134 -0.960 1.00 0.00 C ATOM 774 C THR A 95 14.870 -5.393 -1.682 1.00 0.00 C ATOM 775 O THR A 95 15.053 -6.507 -1.179 1.00 0.00 O ATOM 776 CB THR A 95 14.550 -2.883 -1.352 1.00 0.00 C ATOM 777 OG1 THR A 95 13.217 -3.225 -1.713 1.00 0.00 O ATOM 778 CG2 THR A 95 15.142 -2.089 -2.500 1.00 0.00 C ATOM 0 H THR A 95 17.176 -4.492 -1.964 1.00 0.00 H new ATOM 0 HA THR A 95 15.224 -4.294 0.109 1.00 0.00 H new ATOM 0 HB THR A 95 14.570 -2.261 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.993 -2.808 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.508 -1.228 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.140 -1.746 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.204 -2.721 -3.386 1.00 0.00 H new ATOM 786 N THR A 96 14.250 -5.219 -2.851 1.00 0.00 N ATOM 787 CA THR A 96 13.726 -6.342 -3.636 1.00 0.00 C ATOM 788 C THR A 96 12.588 -7.068 -2.901 1.00 0.00 C ATOM 789 O THR A 96 12.456 -8.289 -3.004 1.00 0.00 O ATOM 790 CB THR A 96 14.849 -7.331 -3.979 1.00 0.00 C ATOM 791 OG1 THR A 96 16.061 -6.644 -4.247 1.00 0.00 O ATOM 792 CG2 THR A 96 14.541 -8.193 -5.184 1.00 0.00 C ATOM 0 H THR A 96 14.097 -4.305 -3.278 1.00 0.00 H new ATOM 0 HA THR A 96 13.319 -5.931 -4.560 1.00 0.00 H new ATOM 0 HB THR A 96 14.942 -7.973 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.764 -7.292 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 96 15.376 -8.869 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.639 -8.775 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.386 -7.558 -6.056 1.00 0.00 H new ATOM 800 N ARG A 97 11.760 -6.313 -2.166 1.00 0.00 N ATOM 801 CA ARG A 97 10.633 -6.905 -1.430 1.00 0.00 C ATOM 802 C ARG A 97 9.352 -6.074 -1.557 1.00 0.00 C ATOM 803 O ARG A 97 9.372 -4.933 -2.032 1.00 0.00 O ATOM 804 CB ARG A 97 10.980 -7.103 0.050 1.00 0.00 C ATOM 805 CG ARG A 97 11.580 -5.879 0.719 1.00 0.00 C ATOM 806 CD ARG A 97 13.084 -6.018 0.845 1.00 0.00 C ATOM 807 NE ARG A 97 13.460 -6.879 1.967 1.00 0.00 N ATOM 808 CZ ARG A 97 14.447 -7.769 1.935 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.250 -7.862 0.889 1.00 0.00 N ATOM 810 NH2 ARG A 97 14.641 -8.557 2.973 1.00 0.00 N ATOM 0 H ARG A 97 11.847 -5.302 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 97 10.446 -7.878 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.077 -7.391 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.682 -7.932 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.340 -4.988 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.138 -5.746 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.489 -6.429 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.530 -5.032 0.978 1.00 0.00 H new ATOM 0 HE ARG A 97 12.928 -6.790 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.118 -7.244 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.002 -8.551 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.037 -8.481 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.396 -9.243 2.958 1.00 0.00 H new ATOM 824 N ASN A 98 8.237 -6.673 -1.139 1.00 0.00 N ATOM 825 CA ASN A 98 6.923 -6.031 -1.206 1.00 0.00 C ATOM 826 C ASN A 98 6.307 -5.836 0.185 1.00 0.00 C ATOM 827 O ASN A 98 6.522 -6.639 1.095 1.00 0.00 O ATOM 828 CB ASN A 98 5.976 -6.876 -2.074 1.00 0.00 C ATOM 829 CG ASN A 98 6.035 -8.367 -1.754 1.00 0.00 C ATOM 830 OD1 ASN A 98 7.036 -8.872 -1.245 1.00 0.00 O ATOM 831 ND2 ASN A 98 4.965 -9.086 -2.055 1.00 0.00 N ATOM 0 H ASN A 98 8.218 -7.614 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 98 7.060 -5.045 -1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.954 -6.522 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.226 -6.726 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.954 -10.088 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.151 -8.638 -2.476 1.00 0.00 H new ATOM 838 N ALA A 99 5.522 -4.769 0.328 1.00 0.00 N ATOM 839 CA ALA A 99 4.850 -4.463 1.591 1.00 0.00 C ATOM 840 C ALA A 99 3.435 -5.050 1.606 1.00 0.00 C ATOM 841 O ALA A 99 2.569 -4.628 0.837 1.00 0.00 O ATOM 842 CB ALA A 99 4.817 -2.956 1.819 1.00 0.00 C ATOM 0 H ALA A 99 5.335 -4.099 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 99 5.412 -4.921 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.314 -2.742 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.836 -2.571 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.277 -2.476 1.003 1.00 0.00 H new ATOM 848 N TYR A 100 3.217 -6.035 2.475 1.00 0.00 N ATOM 849 CA TYR A 100 1.918 -6.704 2.582 1.00 0.00 C ATOM 850 C TYR A 100 0.939 -5.921 3.463 1.00 0.00 C ATOM 851 O TYR A 100 1.064 -5.910 4.690 1.00 0.00 O ATOM 852 CB TYR A 100 2.102 -8.121 3.148 1.00 0.00 C ATOM 853 CG TYR A 100 2.915 -9.042 2.260 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.291 -8.886 2.138 1.00 0.00 C ATOM 855 CD2 TYR A 100 2.309 -10.072 1.553 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.037 -9.727 1.337 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.048 -10.916 0.748 1.00 0.00 C ATOM 858 CZ TYR A 100 4.411 -10.739 0.642 1.00 0.00 C ATOM 859 OH TYR A 100 5.150 -11.578 -0.160 1.00 0.00 O ATOM 0 H TYR A 100 3.925 -6.390 3.118 1.00 0.00 H new ATOM 0 HA TYR A 100 1.495 -6.757 1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.587 -8.051 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.120 -8.565 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.785 -8.093 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.242 -10.215 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.105 -9.593 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.560 -11.711 0.204 1.00 0.00 H new ATOM 0 HH TYR A 100 4.557 -12.237 -0.578 1.00 0.00 H new ATOM 869 N ARG A 101 -0.052 -5.287 2.834 1.00 0.00 N ATOM 870 CA ARG A 101 -1.065 -4.526 3.566 1.00 0.00 C ATOM 871 C ARG A 101 -2.440 -5.196 3.424 1.00 0.00 C ATOM 872 O ARG A 101 -2.954 -5.360 2.313 1.00 0.00 O ATOM 873 CB ARG A 101 -1.116 -3.075 3.071 1.00 0.00 C ATOM 874 CG ARG A 101 -1.655 -2.094 4.106 1.00 0.00 C ATOM 875 CD ARG A 101 -1.799 -0.694 3.529 1.00 0.00 C ATOM 876 NE ARG A 101 -0.813 0.236 4.089 1.00 0.00 N ATOM 877 CZ ARG A 101 -1.002 0.994 5.164 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.141 0.968 5.828 1.00 0.00 N ATOM 879 NH2 ARG A 101 -0.043 1.796 5.575 1.00 0.00 N ATOM 0 H ARG A 101 -0.174 -5.285 1.821 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.793 -4.514 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.113 -2.765 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.739 -3.027 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.623 -2.441 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.985 -2.067 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.684 -0.735 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.803 -0.321 3.729 1.00 0.00 H new ATOM 0 HE ARG A 101 0.088 0.307 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.898 0.358 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.265 1.558 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.842 1.834 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.184 2.379 6.400 1.00 0.00 H new ATOM 893 N GLU A 102 -3.021 -5.603 4.552 1.00 0.00 N ATOM 894 CA GLU A 102 -4.324 -6.274 4.549 1.00 0.00 C ATOM 895 C GLU A 102 -5.473 -5.283 4.402 1.00 0.00 C ATOM 896 O GLU A 102 -5.448 -4.189 4.973 1.00 0.00 O ATOM 897 CB GLU A 102 -4.515 -7.081 5.834 1.00 0.00 C ATOM 898 CG GLU A 102 -4.532 -8.591 5.628 1.00 0.00 C ATOM 899 CD GLU A 102 -3.934 -9.351 6.797 1.00 0.00 C ATOM 900 OE1 GLU A 102 -2.750 -9.111 7.126 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.645 -10.182 7.396 1.00 0.00 O ATOM 0 H GLU A 102 -2.612 -5.481 5.479 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.336 -6.943 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.714 -6.830 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.451 -6.779 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.560 -8.920 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.979 -8.836 4.721 1.00 0.00 H new ATOM 908 N CYS A 103 -6.486 -5.695 3.647 1.00 0.00 N ATOM 909 CA CYS A 103 -7.681 -4.883 3.420 1.00 0.00 C ATOM 910 C CYS A 103 -8.846 -5.447 4.224 1.00 0.00 C ATOM 911 O CYS A 103 -9.380 -6.508 3.900 1.00 0.00 O ATOM 912 CB CYS A 103 -8.032 -4.836 1.927 1.00 0.00 C ATOM 913 SG CYS A 103 -9.508 -3.841 1.540 1.00 0.00 S ATOM 0 H CYS A 103 -6.504 -6.599 3.175 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.480 -3.864 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.181 -4.433 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.189 -5.854 1.570 1.00 0.00 H new ATOM 918 N LEU A 104 -9.213 -4.733 5.284 1.00 0.00 N ATOM 919 CA LEU A 104 -10.299 -5.135 6.182 1.00 0.00 C ATOM 920 C LEU A 104 -11.597 -5.416 5.440 1.00 0.00 C ATOM 921 O LEU A 104 -11.879 -4.813 4.402 1.00 0.00 O ATOM 922 CB LEU A 104 -10.531 -4.043 7.230 1.00 0.00 C ATOM 923 CG LEU A 104 -9.798 -4.243 8.556 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.305 -5.485 9.267 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.298 -4.335 8.328 1.00 0.00 C ATOM 0 H LEU A 104 -8.766 -3.855 5.548 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.994 -6.064 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.227 -3.086 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.600 -3.977 7.431 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.998 -3.380 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.770 -5.609 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.371 -5.380 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.138 -6.359 8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.793 -4.477 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.081 -5.179 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.943 -3.415 7.864 1.00 0.00 H new ATOM 937 N GLU A 105 -12.402 -6.318 6.006 1.00 0.00 N ATOM 938 CA GLU A 105 -13.700 -6.675 5.430 1.00 0.00 C ATOM 939 C GLU A 105 -14.546 -5.420 5.184 1.00 0.00 C ATOM 940 O GLU A 105 -15.441 -5.413 4.340 1.00 0.00 O ATOM 941 CB GLU A 105 -14.446 -7.631 6.366 1.00 0.00 C ATOM 942 CG GLU A 105 -14.927 -8.901 5.684 1.00 0.00 C ATOM 943 CD GLU A 105 -16.047 -9.580 6.445 1.00 0.00 C ATOM 944 OE1 GLU A 105 -17.160 -9.017 6.488 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.807 -10.672 6.998 1.00 0.00 O ATOM 0 H GLU A 105 -12.176 -6.816 6.867 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.528 -7.171 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.791 -7.900 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.304 -7.111 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.269 -8.662 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.091 -9.593 5.580 1.00 0.00 H new ATOM 952 N ASN A 106 -14.242 -4.354 5.926 1.00 0.00 N ATOM 953 CA ASN A 106 -14.957 -3.087 5.787 1.00 0.00 C ATOM 954 C ASN A 106 -14.386 -2.242 4.639 1.00 0.00 C ATOM 955 O ASN A 106 -15.021 -1.286 4.191 1.00 0.00 O ATOM 956 CB ASN A 106 -14.891 -2.300 7.100 1.00 0.00 C ATOM 957 CG ASN A 106 -16.066 -1.358 7.271 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.943 -0.155 7.059 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.209 -1.898 7.659 1.00 0.00 N ATOM 0 H ASN A 106 -13.504 -4.344 6.630 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.997 -3.314 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.864 -2.998 7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.963 -1.728 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.031 -1.310 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.268 -2.903 7.824 1.00 0.00 H new ATOM 966 N GLY A 107 -13.188 -2.601 4.164 1.00 0.00 N ATOM 967 CA GLY A 107 -12.557 -1.869 3.076 1.00 0.00 C ATOM 968 C GLY A 107 -11.408 -0.973 3.530 1.00 0.00 C ATOM 969 O GLY A 107 -10.945 -0.127 2.765 1.00 0.00 O ATOM 0 H GLY A 107 -12.645 -3.389 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.183 -2.580 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.308 -1.257 2.576 1.00 0.00 H new ATOM 973 N THR A 108 -10.935 -1.164 4.767 1.00 0.00 N ATOM 974 CA THR A 108 -9.824 -0.371 5.302 1.00 0.00 C ATOM 975 C THR A 108 -8.516 -1.160 5.238 1.00 0.00 C ATOM 976 O THR A 108 -8.515 -2.348 4.923 1.00 0.00 O ATOM 977 CB THR A 108 -10.105 0.055 6.747 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.397 -1.068 7.558 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.257 1.030 6.877 1.00 0.00 C ATOM 0 H THR A 108 -11.304 -1.860 5.415 1.00 0.00 H new ATOM 0 HA THR A 108 -9.726 0.523 4.687 1.00 0.00 H new ATOM 0 HB THR A 108 -9.193 0.553 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.571 -0.772 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.399 1.288 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.035 1.933 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.167 0.572 6.490 1.00 0.00 H new ATOM 987 N TRP A 109 -7.402 -0.493 5.529 1.00 0.00 N ATOM 988 CA TRP A 109 -6.094 -1.145 5.486 1.00 0.00 C ATOM 989 C TRP A 109 -5.575 -1.475 6.894 1.00 0.00 C ATOM 990 O TRP A 109 -5.554 -0.618 7.778 1.00 0.00 O ATOM 991 CB TRP A 109 -5.099 -0.258 4.732 1.00 0.00 C ATOM 992 CG TRP A 109 -5.461 -0.057 3.285 1.00 0.00 C ATOM 993 CD1 TRP A 109 -5.947 1.083 2.698 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.365 -1.034 2.241 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.164 0.865 1.357 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.812 -0.421 1.054 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.946 -2.366 2.195 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.850 -1.097 -0.161 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.983 -3.034 0.987 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.434 -2.397 -0.178 1.00 0.00 C ATOM 0 H TRP A 109 -7.377 0.491 5.795 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.203 -2.091 4.956 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.043 0.713 5.224 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.106 -0.704 4.793 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.132 2.014 3.212 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.528 1.551 0.696 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.599 -2.864 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.197 -0.610 -1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.659 -4.063 0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.453 -2.946 -1.108 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.159 -2.731 7.091 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.648 -3.189 8.394 1.00 0.00 C ATOM 1013 C ALA A 110 -3.321 -2.533 8.796 1.00 0.00 C ATOM 1014 O ALA A 110 -2.902 -2.619 9.953 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.517 -4.706 8.404 1.00 0.00 C ATOM 0 H ALA A 110 -5.165 -3.450 6.368 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.379 -2.877 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.138 -5.032 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.493 -5.157 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.825 -5.017 7.621 1.00 0.00 H new ATOM 1021 N SER A 111 -2.680 -1.866 7.844 1.00 0.00 N ATOM 1022 CA SER A 111 -1.402 -1.165 8.082 1.00 0.00 C ATOM 1023 C SER A 111 -0.229 -2.119 8.374 1.00 0.00 C ATOM 1024 O SER A 111 0.800 -1.692 8.896 1.00 0.00 O ATOM 1025 CB SER A 111 -1.555 -0.155 9.233 1.00 0.00 C ATOM 1026 OG SER A 111 -1.424 -0.779 10.505 1.00 0.00 O ATOM 0 H SER A 111 -3.021 -1.789 6.886 1.00 0.00 H new ATOM 0 HA SER A 111 -1.160 -0.643 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.802 0.627 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.529 0.329 9.164 1.00 0.00 H new ATOM 0 HG SER A 111 -2.186 -1.376 10.656 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.375 -3.401 8.027 1.00 0.00 N ATOM 1033 CA ARG A 112 0.689 -4.390 8.258 1.00 0.00 C ATOM 1034 C ARG A 112 1.987 -4.005 7.537 1.00 0.00 C ATOM 1035 O ARG A 112 3.067 -4.058 8.124 1.00 0.00 O ATOM 1036 CB ARG A 112 0.227 -5.780 7.804 1.00 0.00 C ATOM 1037 CG ARG A 112 0.666 -6.903 8.732 1.00 0.00 C ATOM 1038 CD ARG A 112 -0.372 -8.013 8.796 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.647 -8.427 10.176 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.696 -9.156 10.546 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -2.579 -9.563 9.653 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -1.859 -9.479 11.815 1.00 0.00 N ATOM 0 H ARG A 112 -1.214 -3.780 7.587 1.00 0.00 H new ATOM 0 HA ARG A 112 0.896 -4.410 9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.860 -5.786 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.615 -5.974 6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.616 -7.311 8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.836 -6.504 9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.296 -7.673 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.021 -8.871 8.223 1.00 0.00 H new ATOM 0 HE ARG A 112 0.010 -8.136 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.460 -9.319 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.380 -10.122 9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.181 -9.170 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.663 -10.038 12.100 1.00 0.00 H new ATOM 1056 N VAL A 113 1.843 -3.620 6.267 1.00 0.00 N ATOM 1057 CA VAL A 113 2.956 -3.204 5.391 1.00 0.00 C ATOM 1058 C VAL A 113 4.352 -3.463 5.973 1.00 0.00 C ATOM 1059 O VAL A 113 4.958 -2.586 6.592 1.00 0.00 O ATOM 1060 CB VAL A 113 2.841 -1.712 5.018 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.720 -1.501 4.026 1.00 0.00 C ATOM 1062 CG2 VAL A 113 2.632 -0.849 6.255 1.00 0.00 C ATOM 0 H VAL A 113 0.935 -3.586 5.804 1.00 0.00 H new ATOM 0 HA VAL A 113 2.857 -3.831 4.505 1.00 0.00 H new ATOM 0 HB VAL A 113 3.779 -1.407 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.652 -0.443 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.920 -2.078 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.778 -1.830 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.555 0.197 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.715 -1.152 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.477 -0.973 6.932 1.00 0.00 H new ATOM 1072 N ASN A 114 4.872 -4.662 5.739 1.00 0.00 N ATOM 1073 CA ASN A 114 6.201 -5.034 6.212 1.00 0.00 C ATOM 1074 C ASN A 114 7.293 -4.374 5.356 1.00 0.00 C ATOM 1075 O ASN A 114 8.127 -5.055 4.756 1.00 0.00 O ATOM 1076 CB ASN A 114 6.370 -6.566 6.209 1.00 0.00 C ATOM 1077 CG ASN A 114 5.526 -7.294 5.169 1.00 0.00 C ATOM 1078 OD1 ASN A 114 4.905 -6.682 4.300 1.00 0.00 O ATOM 1079 ND2 ASN A 114 5.503 -8.616 5.251 1.00 0.00 N ATOM 0 H ASN A 114 4.391 -5.397 5.222 1.00 0.00 H new ATOM 0 HA ASN A 114 6.306 -4.675 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.420 -6.803 6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.115 -6.949 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.959 -9.159 4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.030 -9.091 5.984 1.00 0.00 H new ATOM 1086 N TYR A 115 7.279 -3.041 5.301 1.00 0.00 N ATOM 1087 CA TYR A 115 8.262 -2.293 4.513 1.00 0.00 C ATOM 1088 C TYR A 115 9.575 -2.084 5.280 1.00 0.00 C ATOM 1089 O TYR A 115 10.624 -1.858 4.670 1.00 0.00 O ATOM 1090 CB TYR A 115 7.672 -0.953 4.053 1.00 0.00 C ATOM 1091 CG TYR A 115 7.626 0.117 5.121 1.00 0.00 C ATOM 1092 CD1 TYR A 115 6.586 0.170 6.041 1.00 0.00 C ATOM 1093 CD2 TYR A 115 8.620 1.084 5.200 1.00 0.00 C ATOM 1094 CE1 TYR A 115 6.539 1.157 7.006 1.00 0.00 C ATOM 1095 CE2 TYR A 115 8.580 2.072 6.164 1.00 0.00 C ATOM 1096 CZ TYR A 115 7.538 2.105 7.062 1.00 0.00 C ATOM 1097 OH TYR A 115 7.493 3.093 8.017 1.00 0.00 O ATOM 0 H TYR A 115 6.600 -2.458 5.791 1.00 0.00 H new ATOM 0 HA TYR A 115 8.501 -2.889 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.258 -0.583 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.660 -1.124 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.802 -0.572 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.438 1.063 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.723 1.186 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.362 2.815 6.213 1.00 0.00 H new ATOM 0 HH TYR A 115 6.582 3.450 8.076 1.00 0.00 H new ATOM 1107 N SER A 116 9.524 -2.179 6.614 1.00 0.00 N ATOM 1108 CA SER A 116 10.730 -2.020 7.438 1.00 0.00 C ATOM 1109 C SER A 116 11.712 -3.171 7.180 1.00 0.00 C ATOM 1110 O SER A 116 12.926 -3.012 7.324 1.00 0.00 O ATOM 1111 CB SER A 116 10.368 -1.950 8.927 1.00 0.00 C ATOM 1112 OG SER A 116 11.145 -0.966 9.601 1.00 0.00 O ATOM 0 H SER A 116 8.671 -2.363 7.142 1.00 0.00 H new ATOM 0 HA SER A 116 11.211 -1.083 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.309 -1.717 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.530 -2.924 9.389 1.00 0.00 H new ATOM 0 HG SER A 116 11.343 -0.228 8.987 1.00 0.00 H new ATOM 1118 N HIS A 117 11.178 -4.323 6.758 1.00 0.00 N ATOM 1119 CA HIS A 117 11.986 -5.503 6.441 1.00 0.00 C ATOM 1120 C HIS A 117 12.579 -5.379 5.032 1.00 0.00 C ATOM 1121 O HIS A 117 12.531 -6.318 4.230 1.00 0.00 O ATOM 1122 CB HIS A 117 11.121 -6.766 6.544 1.00 0.00 C ATOM 1123 CG HIS A 117 10.550 -6.995 7.909 1.00 0.00 C ATOM 1124 ND1 HIS A 117 11.283 -6.854 9.067 1.00 0.00 N ATOM 1125 CD2 HIS A 117 9.303 -7.348 8.298 1.00 0.00 C ATOM 1126 CE1 HIS A 117 10.515 -7.111 10.110 1.00 0.00 C ATOM 1127 NE2 HIS A 117 9.307 -7.413 9.671 1.00 0.00 N ATOM 0 H HIS A 117 10.176 -4.462 6.627 1.00 0.00 H new ATOM 0 HA HIS A 117 12.806 -5.574 7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.304 -6.696 5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.721 -7.631 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.461 -7.543 7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.822 -7.080 11.145 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.507 -7.655 10.256 1.00 0.00 H new ATOM 1136 N CYS A 118 13.123 -4.201 4.738 1.00 0.00 N ATOM 1137 CA CYS A 118 13.710 -3.917 3.427 1.00 0.00 C ATOM 1138 C CYS A 118 15.216 -4.213 3.370 1.00 0.00 C ATOM 1139 O CYS A 118 15.837 -4.010 2.331 1.00 0.00 O ATOM 1140 CB CYS A 118 13.456 -2.454 3.053 1.00 0.00 C ATOM 1141 SG CYS A 118 13.044 -2.190 1.299 1.00 0.00 S ATOM 0 H CYS A 118 13.171 -3.421 5.394 1.00 0.00 H new ATOM 0 HA CYS A 118 13.227 -4.581 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.641 -2.070 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.343 -1.869 3.298 1.00 0.00 H new ATOM 1146 N GLU A 119 15.793 -4.698 4.479 1.00 0.00 N ATOM 1147 CA GLU A 119 17.211 -5.023 4.546 1.00 0.00 C ATOM 1148 C GLU A 119 18.092 -3.788 4.328 1.00 0.00 C ATOM 1149 O GLU A 119 18.514 -3.495 3.206 1.00 0.00 O ATOM 1150 CB GLU A 119 17.547 -6.105 3.532 1.00 0.00 C ATOM 1151 CG GLU A 119 17.106 -7.497 3.958 1.00 0.00 C ATOM 1152 CD GLU A 119 18.051 -8.132 4.957 1.00 0.00 C ATOM 1153 OE1 GLU A 119 17.865 -7.914 6.170 1.00 0.00 O ATOM 1154 OE2 GLU A 119 18.969 -8.854 4.521 1.00 0.00 O ATOM 0 H GLU A 119 15.286 -4.873 5.347 1.00 0.00 H new ATOM 0 HA GLU A 119 17.420 -5.395 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.075 -5.859 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.624 -6.110 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.109 -7.440 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.033 -8.135 3.078 1.00 0.00 H new