USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 84:sc= 0.00418 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 86:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 101:sc= 1.05 USER MOD Single : A 35 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.0029) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.328 X(o=-0.33,f=0.0065) USER MOD Single : A 65 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.4!) USER MOD Single : A 68 THR OG1 : rot 110:sc=-0.00621 USER MOD Single : A 74 SER OG : rot 178:sc= -2.31! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -12! C(o=-15!,f=-12!) USER MOD Single : A 82 ASN : amide:sc= -3.26! C(o=-3.3!,f=-3.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 1.366 13.249 3.225 1.00 0.00 N ATOM 201 CA ARG A 14 0.730 12.205 2.439 1.00 0.00 C ATOM 202 C ARG A 14 1.414 10.860 2.690 1.00 0.00 C ATOM 203 O ARG A 14 0.746 9.839 2.846 1.00 0.00 O ATOM 204 CB ARG A 14 0.788 12.528 0.945 1.00 0.00 C ATOM 205 CG ARG A 14 -0.425 11.951 0.212 1.00 0.00 C ATOM 206 CD ARG A 14 -0.040 11.463 -1.187 1.00 0.00 C ATOM 207 NE ARG A 14 -1.102 10.586 -1.728 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.237 11.038 -2.301 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.468 12.363 -2.413 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.119 10.164 -2.750 1.00 0.00 N ATOM 0 HA ARG A 14 -0.314 12.148 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.823 13.608 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.704 12.121 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.843 11.125 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.203 12.711 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.111 12.315 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.904 10.920 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.968 9.577 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.782 13.032 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.329 12.696 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.937 9.164 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.982 10.489 -3.186 1.00 0.00 H new ATOM 223 N ALA A 15 2.738 10.902 2.722 1.00 0.00 N ATOM 224 CA ALA A 15 3.520 9.699 2.951 1.00 0.00 C ATOM 225 C ALA A 15 2.930 8.930 4.135 1.00 0.00 C ATOM 226 O ALA A 15 2.287 7.898 3.951 1.00 0.00 O ATOM 227 CB ALA A 15 4.986 10.078 3.174 1.00 0.00 C ATOM 0 H ALA A 15 3.289 11.751 2.593 1.00 0.00 H new ATOM 0 HA ALA A 15 3.481 9.044 2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.573 9.176 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.366 10.596 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.065 10.733 4.042 1.00 0.00 H new ATOM 233 N GLU A 16 3.169 9.464 5.324 1.00 0.00 N ATOM 234 CA GLU A 16 2.669 8.840 6.538 1.00 0.00 C ATOM 235 C GLU A 16 1.263 8.283 6.308 1.00 0.00 C ATOM 236 O GLU A 16 1.025 7.091 6.497 1.00 0.00 O ATOM 237 CB GLU A 16 2.683 9.827 7.707 1.00 0.00 C ATOM 238 CG GLU A 16 3.815 9.504 8.683 1.00 0.00 C ATOM 239 CD GLU A 16 5.179 9.627 8.002 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.492 8.843 7.094 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.927 10.580 8.446 1.00 0.00 O ATOM 0 H GLU A 16 3.702 10.321 5.473 1.00 0.00 H new ATOM 0 HA GLU A 16 3.329 8.012 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.803 10.842 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.727 9.792 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.768 10.181 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.688 8.493 9.071 1.00 0.00 H new ATOM 249 N ARG A 17 0.367 9.171 5.902 1.00 0.00 N ATOM 250 CA ARG A 17 -1.009 8.783 5.644 1.00 0.00 C ATOM 251 C ARG A 17 -1.052 7.570 4.713 1.00 0.00 C ATOM 252 O ARG A 17 -1.667 6.555 5.038 1.00 0.00 O ATOM 253 CB ARG A 17 -1.796 9.932 5.011 1.00 0.00 C ATOM 254 CG ARG A 17 -3.204 9.481 4.618 1.00 0.00 C ATOM 255 CD ARG A 17 -4.017 9.084 5.852 1.00 0.00 C ATOM 256 NE ARG A 17 -5.060 10.100 6.118 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.873 11.194 6.887 1.00 0.00 C ATOM 258 NH1 ARG A 17 -3.679 11.423 7.473 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.875 12.036 7.057 1.00 0.00 N ATOM 0 H ARG A 17 0.568 10.159 5.745 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.467 8.528 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.859 10.764 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.268 10.297 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.712 10.286 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.141 8.636 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.479 8.109 5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.360 8.990 6.716 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.978 9.965 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.910 10.767 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.546 12.252 8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.774 11.856 6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.750 12.867 7.635 1.00 0.00 H new ATOM 272 N THR A 18 -0.392 7.715 3.573 1.00 0.00 N ATOM 273 CA THR A 18 -0.348 6.643 2.593 1.00 0.00 C ATOM 274 C THR A 18 0.250 5.378 3.212 1.00 0.00 C ATOM 275 O THR A 18 -0.212 4.271 2.939 1.00 0.00 O ATOM 276 CB THR A 18 0.428 7.149 1.375 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.506 7.977 0.688 1.00 0.00 O ATOM 278 CG2 THR A 18 0.742 6.033 0.376 1.00 0.00 C ATOM 0 H THR A 18 0.116 8.558 3.306 1.00 0.00 H new ATOM 0 HA THR A 18 -1.350 6.364 2.266 1.00 0.00 H new ATOM 0 HB THR A 18 1.357 7.614 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.506 8.872 1.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.293 6.446 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.345 5.267 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.189 5.590 0.021 1.00 0.00 H new ATOM 286 N ALA A 19 1.269 5.585 4.033 1.00 0.00 N ATOM 287 CA ALA A 19 1.935 4.475 4.693 1.00 0.00 C ATOM 288 C ALA A 19 1.053 3.961 5.833 1.00 0.00 C ATOM 289 O ALA A 19 1.252 2.852 6.325 1.00 0.00 O ATOM 290 CB ALA A 19 3.314 4.923 5.180 1.00 0.00 C ATOM 0 H ALA A 19 1.650 6.505 4.256 1.00 0.00 H new ATOM 0 HA ALA A 19 2.087 3.651 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.813 4.090 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.912 5.250 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.201 5.748 5.883 1.00 0.00 H new ATOM 296 N GLU A 20 0.096 4.793 6.219 1.00 0.00 N ATOM 297 CA GLU A 20 -0.817 4.437 7.292 1.00 0.00 C ATOM 298 C GLU A 20 -1.950 3.561 6.755 1.00 0.00 C ATOM 299 O GLU A 20 -2.321 2.567 7.379 1.00 0.00 O ATOM 300 CB GLU A 20 -1.369 5.687 7.980 1.00 0.00 C ATOM 301 CG GLU A 20 -2.538 5.335 8.901 1.00 0.00 C ATOM 302 CD GLU A 20 -2.464 6.127 10.208 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.496 5.980 10.968 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.460 6.920 10.422 1.00 0.00 O ATOM 0 H GLU A 20 -0.067 5.712 5.808 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.265 3.866 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.579 6.168 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.697 6.405 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.480 5.547 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.526 4.267 9.118 1.00 0.00 H new ATOM 312 N LEU A 21 -2.470 3.961 5.604 1.00 0.00 N ATOM 313 CA LEU A 21 -3.554 3.225 4.976 1.00 0.00 C ATOM 314 C LEU A 21 -3.136 1.763 4.798 1.00 0.00 C ATOM 315 O LEU A 21 -3.901 0.853 5.113 1.00 0.00 O ATOM 316 CB LEU A 21 -3.980 3.905 3.674 1.00 0.00 C ATOM 317 CG LEU A 21 -5.273 4.722 3.736 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.477 3.821 4.020 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.155 5.859 4.752 1.00 0.00 C ATOM 0 H LEU A 21 -2.161 4.786 5.090 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.437 3.230 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.173 4.562 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.094 3.139 2.907 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.436 5.179 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.383 4.426 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.570 3.078 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.336 3.316 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.087 6.424 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.956 5.445 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.338 6.520 4.465 1.00 0.00 H new ATOM 331 N VAL A 22 -1.924 1.585 4.293 1.00 0.00 N ATOM 332 CA VAL A 22 -1.396 0.250 4.069 1.00 0.00 C ATOM 333 C VAL A 22 -1.315 -0.492 5.405 1.00 0.00 C ATOM 334 O VAL A 22 -2.063 -1.442 5.637 1.00 0.00 O ATOM 335 CB VAL A 22 -0.048 0.335 3.351 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.815 -0.891 3.658 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.240 0.505 1.842 1.00 0.00 C ATOM 0 H VAL A 22 -1.293 2.343 4.033 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.061 -0.320 3.420 1.00 0.00 H new ATOM 0 HB VAL A 22 0.475 1.216 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.768 -0.805 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.994 -0.950 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.299 -1.792 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.734 0.563 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.793 -0.347 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.798 1.421 1.647 1.00 0.00 H new ATOM 347 N ARG A 23 -0.403 -0.032 6.248 1.00 0.00 N ATOM 348 CA ARG A 23 -0.215 -0.641 7.553 1.00 0.00 C ATOM 349 C ARG A 23 -1.566 -0.845 8.243 1.00 0.00 C ATOM 350 O ARG A 23 -1.748 -1.809 8.985 1.00 0.00 O ATOM 351 CB ARG A 23 0.677 0.227 8.443 1.00 0.00 C ATOM 352 CG ARG A 23 2.100 0.302 7.885 1.00 0.00 C ATOM 353 CD ARG A 23 3.088 -0.415 8.807 1.00 0.00 C ATOM 354 NE ARG A 23 4.161 -1.046 8.006 1.00 0.00 N ATOM 355 CZ ARG A 23 5.180 -1.758 8.532 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.273 -1.937 9.867 1.00 0.00 N ATOM 357 NH2 ARG A 23 6.084 -2.277 7.723 1.00 0.00 N ATOM 0 H ARG A 23 0.214 0.756 6.052 1.00 0.00 H new ATOM 0 HA ARG A 23 0.270 -1.605 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.258 1.230 8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.699 -0.183 9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.130 -0.149 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.395 1.345 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.519 0.294 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.567 -1.172 9.393 1.00 0.00 H new ATOM 0 HE ARG A 23 4.128 -0.936 6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.570 -1.533 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.046 -2.476 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.007 -2.138 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.860 -2.818 8.105 1.00 0.00 H new ATOM 370 N LEU A 24 -2.478 0.077 7.972 1.00 0.00 N ATOM 371 CA LEU A 24 -3.806 0.010 8.557 1.00 0.00 C ATOM 372 C LEU A 24 -4.541 -1.213 8.004 1.00 0.00 C ATOM 373 O LEU A 24 -5.098 -2.003 8.765 1.00 0.00 O ATOM 374 CB LEU A 24 -4.555 1.326 8.339 1.00 0.00 C ATOM 375 CG LEU A 24 -6.069 1.281 8.554 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.598 2.639 9.018 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.786 0.785 7.296 1.00 0.00 C ATOM 0 H LEU A 24 -2.323 0.874 7.355 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.740 -0.118 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.135 2.075 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.363 1.666 7.321 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.280 0.566 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.677 2.579 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.120 2.914 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.375 3.393 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.861 0.762 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.571 1.457 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.438 -0.218 7.050 1.00 0.00 H new ATOM 389 N VAL A 25 -4.518 -1.331 6.685 1.00 0.00 N ATOM 390 CA VAL A 25 -5.175 -2.445 6.021 1.00 0.00 C ATOM 391 C VAL A 25 -4.646 -3.760 6.598 1.00 0.00 C ATOM 392 O VAL A 25 -5.389 -4.733 6.716 1.00 0.00 O ATOM 393 CB VAL A 25 -4.986 -2.337 4.507 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.405 -3.632 3.809 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.750 -1.138 3.943 1.00 0.00 C ATOM 0 H VAL A 25 -4.055 -0.674 6.057 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.249 -2.419 6.203 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.925 -2.179 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.261 -3.529 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.797 -4.458 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.456 -3.834 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.599 -1.084 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.813 -1.252 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.384 -0.222 4.407 1.00 0.00 H new ATOM 405 N ARG A 26 -3.367 -3.747 6.941 1.00 0.00 N ATOM 406 CA ARG A 26 -2.730 -4.926 7.502 1.00 0.00 C ATOM 407 C ARG A 26 -3.453 -5.363 8.777 1.00 0.00 C ATOM 408 O ARG A 26 -4.014 -6.457 8.834 1.00 0.00 O ATOM 409 CB ARG A 26 -1.259 -4.657 7.824 1.00 0.00 C ATOM 410 CG ARG A 26 -0.498 -4.205 6.576 1.00 0.00 C ATOM 411 CD ARG A 26 -0.315 -5.365 5.595 1.00 0.00 C ATOM 412 NE ARG A 26 0.393 -4.896 4.383 1.00 0.00 N ATOM 413 CZ ARG A 26 -0.181 -4.158 3.409 1.00 0.00 C ATOM 414 NH1 ARG A 26 -1.480 -3.799 3.496 1.00 0.00 N ATOM 415 NH2 ARG A 26 0.546 -3.794 2.369 1.00 0.00 N ATOM 0 H ARG A 26 -2.754 -2.938 6.841 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.787 -5.720 6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.186 -3.891 8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.800 -5.560 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.040 -3.394 6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.476 -3.810 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.251 -6.167 6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.286 -5.778 5.322 1.00 0.00 H new ATOM 0 HE ARG A 26 1.376 -5.146 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.035 -4.085 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.906 -3.241 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.526 -4.070 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.128 -3.236 1.624 1.00 0.00 H new ATOM 428 N THR A 27 -3.416 -4.487 9.770 1.00 0.00 N ATOM 429 CA THR A 27 -4.061 -4.769 11.042 1.00 0.00 C ATOM 430 C THR A 27 -5.580 -4.829 10.868 1.00 0.00 C ATOM 431 O THR A 27 -6.233 -5.727 11.396 1.00 0.00 O ATOM 432 CB THR A 27 -3.606 -3.709 12.048 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.521 -2.513 11.277 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.174 -3.941 12.535 1.00 0.00 C ATOM 0 H THR A 27 -2.949 -3.581 9.720 1.00 0.00 H new ATOM 0 HA THR A 27 -3.770 -5.747 11.425 1.00 0.00 H new ATOM 0 HB THR A 27 -4.284 -3.704 12.902 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.234 -1.773 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.901 -3.162 13.246 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.108 -4.915 13.020 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.492 -3.912 11.686 1.00 0.00 H new ATOM 442 N SER A 28 -6.097 -3.861 10.125 1.00 0.00 N ATOM 443 CA SER A 28 -7.527 -3.793 9.875 1.00 0.00 C ATOM 444 C SER A 28 -8.025 -5.129 9.320 1.00 0.00 C ATOM 445 O SER A 28 -9.084 -5.613 9.715 1.00 0.00 O ATOM 446 CB SER A 28 -7.863 -2.657 8.907 1.00 0.00 C ATOM 447 OG SER A 28 -9.267 -2.438 8.808 1.00 0.00 O ATOM 0 H SER A 28 -5.552 -3.118 9.688 1.00 0.00 H new ATOM 0 HA SER A 28 -8.031 -3.589 10.820 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.376 -1.741 9.240 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.462 -2.891 7.921 1.00 0.00 H new ATOM 0 HG SER A 28 -9.440 -1.704 8.182 1.00 0.00 H new ATOM 453 N THR A 29 -7.238 -5.687 8.411 1.00 0.00 N ATOM 454 CA THR A 29 -7.586 -6.957 7.798 1.00 0.00 C ATOM 455 C THR A 29 -7.278 -8.112 8.752 1.00 0.00 C ATOM 456 O THR A 29 -8.163 -8.897 9.088 1.00 0.00 O ATOM 457 CB THR A 29 -6.844 -7.056 6.463 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.262 -5.898 5.746 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.336 -8.223 5.605 1.00 0.00 C ATOM 0 H THR A 29 -6.360 -5.282 8.085 1.00 0.00 H new ATOM 0 HA THR A 29 -8.656 -7.020 7.597 1.00 0.00 H new ATOM 0 HB THR A 29 -5.776 -7.167 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.689 -5.140 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.777 -8.248 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.185 -9.159 6.143 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.397 -8.095 5.390 1.00 0.00 H new ATOM 467 N ALA A 30 -6.019 -8.180 9.161 1.00 0.00 N ATOM 468 CA ALA A 30 -5.583 -9.227 10.070 1.00 0.00 C ATOM 469 C ALA A 30 -6.605 -9.374 11.199 1.00 0.00 C ATOM 470 O ALA A 30 -6.731 -10.444 11.791 1.00 0.00 O ATOM 471 CB ALA A 30 -4.182 -8.900 10.590 1.00 0.00 C ATOM 0 H ALA A 30 -5.287 -7.527 8.880 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.523 -10.185 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.855 -9.685 11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.489 -8.835 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.203 -7.947 11.118 1.00 0.00 H new ATOM 477 N THR A 31 -7.309 -8.283 11.463 1.00 0.00 N ATOM 478 CA THR A 31 -8.315 -8.277 12.511 1.00 0.00 C ATOM 479 C THR A 31 -9.639 -8.831 11.982 1.00 0.00 C ATOM 480 O THR A 31 -10.339 -9.557 12.687 1.00 0.00 O ATOM 481 CB THR A 31 -8.427 -6.850 13.051 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.115 -6.553 13.522 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.300 -6.765 14.305 1.00 0.00 C ATOM 0 H THR A 31 -7.202 -7.397 10.969 1.00 0.00 H new ATOM 0 HA THR A 31 -8.031 -8.931 13.335 1.00 0.00 H new ATOM 0 HB THR A 31 -8.838 -6.201 12.278 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.649 -5.996 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.346 -5.731 14.647 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.306 -7.116 14.073 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.871 -7.388 15.090 1.00 0.00 H new ATOM 491 N VAL A 32 -9.943 -8.468 10.744 1.00 0.00 N ATOM 492 CA VAL A 32 -11.171 -8.921 10.112 1.00 0.00 C ATOM 493 C VAL A 32 -11.218 -10.450 10.134 1.00 0.00 C ATOM 494 O VAL A 32 -12.295 -11.042 10.109 1.00 0.00 O ATOM 495 CB VAL A 32 -11.278 -8.339 8.701 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.519 -9.205 7.693 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.741 -8.171 8.286 1.00 0.00 C ATOM 0 H VAL A 32 -9.361 -7.866 10.162 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.040 -8.562 10.664 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.817 -7.351 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.611 -8.770 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.467 -9.252 7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.938 -10.211 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.788 -7.756 7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.237 -9.141 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.241 -7.496 8.981 1.00 0.00 H new ATOM 507 N LEU A 33 -10.035 -11.045 10.181 1.00 0.00 N ATOM 508 CA LEU A 33 -9.927 -12.494 10.206 1.00 0.00 C ATOM 509 C LEU A 33 -9.910 -12.974 11.659 1.00 0.00 C ATOM 510 O LEU A 33 -9.641 -14.144 11.926 1.00 0.00 O ATOM 511 CB LEU A 33 -8.717 -12.956 9.392 1.00 0.00 C ATOM 512 CG LEU A 33 -8.974 -13.241 7.911 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.061 -14.304 7.738 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.307 -11.953 7.154 1.00 0.00 C ATOM 0 H LEU A 33 -9.143 -10.550 10.202 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.795 -12.949 9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.942 -12.193 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.319 -13.860 9.852 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.058 -13.642 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.224 -14.488 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.746 -15.228 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.988 -13.954 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.485 -12.184 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.201 -11.500 7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.472 -11.257 7.236 1.00 0.00 H new ATOM 526 N GLY A 34 -10.202 -12.047 12.559 1.00 0.00 N ATOM 527 CA GLY A 34 -10.224 -12.361 13.977 1.00 0.00 C ATOM 528 C GLY A 34 -8.825 -12.721 14.481 1.00 0.00 C ATOM 529 O GLY A 34 -8.626 -13.787 15.062 1.00 0.00 O ATOM 0 H GLY A 34 -10.425 -11.078 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.607 -11.507 14.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.905 -13.193 14.158 1.00 0.00 H new ATOM 533 N HIS A 35 -7.892 -11.812 14.239 1.00 0.00 N ATOM 534 CA HIS A 35 -6.517 -12.021 14.660 1.00 0.00 C ATOM 535 C HIS A 35 -5.881 -10.677 15.020 1.00 0.00 C ATOM 536 O HIS A 35 -6.543 -9.641 14.979 1.00 0.00 O ATOM 537 CB HIS A 35 -5.730 -12.782 13.591 1.00 0.00 C ATOM 538 CG HIS A 35 -5.917 -14.280 13.642 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.318 -15.023 12.545 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.751 -15.165 14.666 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.389 -16.296 12.905 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.038 -16.381 14.220 1.00 0.00 N ATOM 0 H HIS A 35 -8.061 -10.929 13.757 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.498 -12.644 15.554 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.031 -12.422 12.607 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.670 -12.554 13.703 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.439 -14.918 15.670 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.675 -17.121 12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.002 -17.239 14.770 1.00 0.00 H new ATOM 550 N ASP A 36 -4.603 -10.737 15.365 1.00 0.00 N ATOM 551 CA ASP A 36 -3.870 -9.537 15.732 1.00 0.00 C ATOM 552 C ASP A 36 -2.368 -9.809 15.624 1.00 0.00 C ATOM 553 O ASP A 36 -1.674 -9.892 16.636 1.00 0.00 O ATOM 554 CB ASP A 36 -4.173 -9.126 17.174 1.00 0.00 C ATOM 555 CG ASP A 36 -5.623 -8.716 17.438 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.519 -9.568 17.538 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.820 -7.446 17.544 1.00 0.00 O ATOM 0 H ASP A 36 -4.057 -11.598 15.398 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.174 -8.737 15.057 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.920 -9.956 17.833 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.521 -8.295 17.444 1.00 0.00 H new ATOM 563 N ASP A 37 -1.910 -9.941 14.387 1.00 0.00 N ATOM 564 CA ASP A 37 -0.504 -10.202 14.134 1.00 0.00 C ATOM 565 C ASP A 37 -0.223 -10.053 12.637 1.00 0.00 C ATOM 566 O ASP A 37 -0.689 -10.857 11.831 1.00 0.00 O ATOM 567 CB ASP A 37 -0.125 -11.626 14.546 1.00 0.00 C ATOM 568 CG ASP A 37 1.377 -11.915 14.567 1.00 0.00 C ATOM 569 OD1 ASP A 37 2.149 -11.235 15.260 1.00 0.00 O ATOM 570 OD2 ASP A 37 1.754 -12.899 13.823 1.00 0.00 O ATOM 0 H ASP A 37 -2.488 -9.872 13.550 1.00 0.00 H new ATOM 0 HA ASP A 37 0.081 -9.490 14.716 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.531 -11.821 15.538 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.605 -12.326 13.862 1.00 0.00 H new ATOM 576 N PRO A 38 0.556 -8.990 12.302 1.00 0.00 N ATOM 577 CA PRO A 38 0.904 -8.725 10.916 1.00 0.00 C ATOM 578 C PRO A 38 1.968 -9.707 10.420 1.00 0.00 C ATOM 579 O PRO A 38 2.233 -9.788 9.222 1.00 0.00 O ATOM 580 CB PRO A 38 1.375 -7.280 10.898 1.00 0.00 C ATOM 581 CG PRO A 38 1.714 -6.934 12.339 1.00 0.00 C ATOM 582 CD PRO A 38 1.126 -8.017 13.229 1.00 0.00 C ATOM 0 HA PRO A 38 0.063 -8.864 10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.245 -7.161 10.253 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.598 -6.621 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.794 -6.874 12.473 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.305 -5.959 12.604 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.891 -8.471 13.858 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.365 -7.612 13.895 1.00 0.00 H new ATOM 590 N LYS A 39 2.550 -10.428 11.368 1.00 0.00 N ATOM 591 CA LYS A 39 3.579 -11.400 11.042 1.00 0.00 C ATOM 592 C LYS A 39 2.936 -12.605 10.351 1.00 0.00 C ATOM 593 O LYS A 39 3.635 -13.498 9.876 1.00 0.00 O ATOM 594 CB LYS A 39 4.385 -11.765 12.291 1.00 0.00 C ATOM 595 CG LYS A 39 5.658 -10.923 12.387 1.00 0.00 C ATOM 596 CD LYS A 39 6.905 -11.811 12.379 1.00 0.00 C ATOM 597 CE LYS A 39 8.074 -11.108 11.687 1.00 0.00 C ATOM 598 NZ LYS A 39 9.354 -11.474 12.333 1.00 0.00 N ATOM 0 H LYS A 39 2.328 -10.358 12.361 1.00 0.00 H new ATOM 0 HA LYS A 39 4.296 -10.975 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.774 -11.610 13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.646 -12.823 12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.700 -10.224 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.637 -10.328 13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.182 -12.064 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.685 -12.748 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.100 -11.384 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.934 -10.028 11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.137 -10.988 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.332 -11.189 13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.493 -12.503 12.270 1.00 0.00 H new ATOM 611 N ALA A 40 1.612 -12.590 10.318 1.00 0.00 N ATOM 612 CA ALA A 40 0.867 -13.669 9.693 1.00 0.00 C ATOM 613 C ALA A 40 0.181 -13.145 8.429 1.00 0.00 C ATOM 614 O ALA A 40 -0.948 -13.531 8.127 1.00 0.00 O ATOM 615 CB ALA A 40 -0.129 -14.252 10.698 1.00 0.00 C ATOM 0 H ALA A 40 1.036 -11.847 10.714 1.00 0.00 H new ATOM 0 HA ALA A 40 1.538 -14.475 9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.688 -15.062 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.411 -14.637 11.563 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.820 -13.473 11.019 1.00 0.00 H new ATOM 621 N VAL A 41 0.890 -12.275 7.726 1.00 0.00 N ATOM 622 CA VAL A 41 0.364 -11.694 6.503 1.00 0.00 C ATOM 623 C VAL A 41 1.430 -10.798 5.869 1.00 0.00 C ATOM 624 O VAL A 41 2.371 -10.378 6.540 1.00 0.00 O ATOM 625 CB VAL A 41 -0.943 -10.955 6.795 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.676 -9.493 7.162 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.907 -11.055 5.611 1.00 0.00 C ATOM 0 H VAL A 41 1.826 -11.958 7.980 1.00 0.00 H new ATOM 0 HA VAL A 41 0.125 -12.475 5.781 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.415 -11.436 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.622 -8.990 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.045 -9.450 8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.171 -8.996 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.828 -10.521 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.446 -10.613 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.135 -12.103 5.415 1.00 0.00 H new ATOM 637 N ARG A 42 1.245 -10.531 4.585 1.00 0.00 N ATOM 638 CA ARG A 42 2.179 -9.692 3.853 1.00 0.00 C ATOM 639 C ARG A 42 1.438 -8.535 3.181 1.00 0.00 C ATOM 640 O ARG A 42 0.209 -8.480 3.209 1.00 0.00 O ATOM 641 CB ARG A 42 2.925 -10.498 2.788 1.00 0.00 C ATOM 642 CG ARG A 42 4.347 -10.827 3.245 1.00 0.00 C ATOM 643 CD ARG A 42 4.334 -11.833 4.398 1.00 0.00 C ATOM 644 NE ARG A 42 5.450 -12.792 4.245 1.00 0.00 N ATOM 645 CZ ARG A 42 6.698 -12.584 4.717 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.000 -11.445 5.376 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.618 -13.510 4.523 1.00 0.00 N ATOM 0 H ARG A 42 0.462 -10.881 4.032 1.00 0.00 H new ATOM 0 HA ARG A 42 2.902 -9.299 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.384 -11.421 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.960 -9.932 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.916 -11.234 2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.852 -9.914 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.422 -11.309 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.384 -12.367 4.415 1.00 0.00 H new ATOM 0 HE ARG A 42 5.265 -13.666 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.283 -10.734 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.945 -11.296 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.382 -14.367 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.566 -13.369 4.873 1.00 0.00 H new ATOM 660 N ALA A 43 2.216 -7.638 2.593 1.00 0.00 N ATOM 661 CA ALA A 43 1.649 -6.485 1.915 1.00 0.00 C ATOM 662 C ALA A 43 1.173 -6.901 0.522 1.00 0.00 C ATOM 663 O ALA A 43 0.204 -6.349 0.003 1.00 0.00 O ATOM 664 CB ALA A 43 2.686 -5.361 1.865 1.00 0.00 C ATOM 0 H ALA A 43 3.235 -7.687 2.572 1.00 0.00 H new ATOM 0 HA ALA A 43 0.784 -6.107 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.261 -4.496 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.969 -5.082 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.568 -5.703 1.323 1.00 0.00 H new ATOM 670 N THR A 44 1.876 -7.870 -0.044 1.00 0.00 N ATOM 671 CA THR A 44 1.538 -8.366 -1.367 1.00 0.00 C ATOM 672 C THR A 44 1.024 -9.805 -1.281 1.00 0.00 C ATOM 673 O THR A 44 1.357 -10.638 -2.123 1.00 0.00 O ATOM 674 CB THR A 44 2.771 -8.214 -2.260 1.00 0.00 C ATOM 675 OG1 THR A 44 3.861 -8.552 -1.406 1.00 0.00 O ATOM 676 CG2 THR A 44 3.038 -6.758 -2.646 1.00 0.00 C ATOM 0 H THR A 44 2.679 -8.325 0.390 1.00 0.00 H new ATOM 0 HA THR A 44 0.726 -7.789 -1.810 1.00 0.00 H new ATOM 0 HB THR A 44 2.642 -8.811 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.702 -8.482 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.923 -6.706 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.180 -6.362 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.201 -6.167 -1.745 1.00 0.00 H new ATOM 684 N THR A 45 0.221 -10.053 -0.257 1.00 0.00 N ATOM 685 CA THR A 45 -0.342 -11.376 -0.051 1.00 0.00 C ATOM 686 C THR A 45 -1.779 -11.433 -0.575 1.00 0.00 C ATOM 687 O THR A 45 -2.470 -10.416 -0.613 1.00 0.00 O ATOM 688 CB THR A 45 -0.225 -11.713 1.437 1.00 0.00 C ATOM 689 OG1 THR A 45 0.077 -13.105 1.455 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.566 -11.613 2.167 1.00 0.00 C ATOM 0 H THR A 45 -0.053 -9.360 0.439 1.00 0.00 H new ATOM 0 HA THR A 45 0.206 -12.131 -0.615 1.00 0.00 H new ATOM 0 HB THR A 45 0.494 -11.041 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.172 -13.407 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.427 -11.862 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.951 -10.597 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.276 -12.309 1.720 1.00 0.00 H new ATOM 698 N PRO A 46 -2.195 -12.663 -0.978 1.00 0.00 N ATOM 699 CA PRO A 46 -3.537 -12.865 -1.499 1.00 0.00 C ATOM 700 C PRO A 46 -4.571 -12.845 -0.372 1.00 0.00 C ATOM 701 O PRO A 46 -4.511 -13.662 0.546 1.00 0.00 O ATOM 702 CB PRO A 46 -3.479 -14.197 -2.228 1.00 0.00 C ATOM 703 CG PRO A 46 -2.245 -14.909 -1.698 1.00 0.00 C ATOM 704 CD PRO A 46 -1.404 -13.889 -0.948 1.00 0.00 C ATOM 0 HA PRO A 46 -3.850 -12.069 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.379 -14.784 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.412 -14.050 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.531 -15.728 -1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.674 -15.345 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.211 -14.211 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.435 -13.747 -1.426 1.00 0.00 H new ATOM 712 N PHE A 47 -5.497 -11.903 -0.478 1.00 0.00 N ATOM 713 CA PHE A 47 -6.543 -11.766 0.521 1.00 0.00 C ATOM 714 C PHE A 47 -7.198 -13.117 0.818 1.00 0.00 C ATOM 715 O PHE A 47 -7.369 -13.485 1.979 1.00 0.00 O ATOM 716 CB PHE A 47 -7.595 -10.820 -0.060 1.00 0.00 C ATOM 717 CG PHE A 47 -8.038 -11.178 -1.481 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.368 -10.669 -2.550 1.00 0.00 C ATOM 719 CD2 PHE A 47 -9.100 -12.005 -1.674 1.00 0.00 C ATOM 720 CE1 PHE A 47 -7.779 -11.002 -3.868 1.00 0.00 C ATOM 721 CE2 PHE A 47 -9.510 -12.338 -2.992 1.00 0.00 C ATOM 722 CZ PHE A 47 -8.841 -11.829 -4.061 1.00 0.00 C ATOM 0 H PHE A 47 -5.544 -11.227 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.122 -11.384 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.468 -10.820 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.196 -9.806 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.524 -10.012 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.632 -12.409 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.248 -10.598 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.353 -12.995 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.153 -12.082 -5.064 1.00 0.00 H new ATOM 732 N LYS A 48 -7.546 -13.818 -0.251 1.00 0.00 N ATOM 733 CA LYS A 48 -8.177 -15.119 -0.119 1.00 0.00 C ATOM 734 C LYS A 48 -7.392 -15.963 0.887 1.00 0.00 C ATOM 735 O LYS A 48 -7.954 -16.448 1.868 1.00 0.00 O ATOM 736 CB LYS A 48 -8.331 -15.782 -1.490 1.00 0.00 C ATOM 737 CG LYS A 48 -9.805 -16.027 -1.818 1.00 0.00 C ATOM 738 CD LYS A 48 -9.996 -16.297 -3.312 1.00 0.00 C ATOM 739 CE LYS A 48 -11.283 -17.083 -3.567 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.980 -18.376 -4.221 1.00 0.00 N ATOM 0 H LYS A 48 -7.403 -13.509 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.188 -15.013 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.885 -15.148 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.790 -16.728 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.174 -16.875 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.396 -15.160 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.029 -15.352 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.142 -16.855 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.802 -17.258 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.954 -16.499 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.865 -18.897 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.505 -18.202 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.357 -18.938 -3.607 1.00 0.00 H new ATOM 753 N GLU A 49 -6.106 -16.113 0.609 1.00 0.00 N ATOM 754 CA GLU A 49 -5.238 -16.889 1.478 1.00 0.00 C ATOM 755 C GLU A 49 -5.508 -16.545 2.944 1.00 0.00 C ATOM 756 O GLU A 49 -5.512 -17.427 3.802 1.00 0.00 O ATOM 757 CB GLU A 49 -3.766 -16.666 1.125 1.00 0.00 C ATOM 758 CG GLU A 49 -3.277 -17.714 0.122 1.00 0.00 C ATOM 759 CD GLU A 49 -3.370 -19.122 0.713 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.279 -19.288 1.938 1.00 0.00 O ATOM 761 OE2 GLU A 49 -3.544 -20.065 -0.151 1.00 0.00 O ATOM 0 H GLU A 49 -5.644 -15.710 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.458 -17.946 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.636 -15.668 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.160 -16.713 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.873 -17.658 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.246 -17.501 -0.159 1.00 0.00 H new ATOM 769 N LEU A 50 -5.727 -15.261 3.186 1.00 0.00 N ATOM 770 CA LEU A 50 -5.998 -14.789 4.534 1.00 0.00 C ATOM 771 C LEU A 50 -7.511 -14.751 4.762 1.00 0.00 C ATOM 772 O LEU A 50 -8.036 -13.777 5.300 1.00 0.00 O ATOM 773 CB LEU A 50 -5.304 -13.448 4.781 1.00 0.00 C ATOM 774 CG LEU A 50 -6.139 -12.198 4.495 1.00 0.00 C ATOM 775 CD1 LEU A 50 -6.697 -11.603 5.789 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.335 -11.173 3.693 1.00 0.00 C ATOM 0 H LEU A 50 -5.722 -14.533 2.472 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.582 -15.477 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.981 -13.415 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.405 -13.408 4.167 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.991 -12.490 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.286 -10.716 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.329 -12.339 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.873 -11.329 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.952 -10.295 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.451 -10.880 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.029 -11.613 2.744 1.00 0.00 H new ATOM 788 N GLY A 51 -8.168 -15.822 4.341 1.00 0.00 N ATOM 789 CA GLY A 51 -9.609 -15.922 4.493 1.00 0.00 C ATOM 790 C GLY A 51 -10.283 -14.573 4.237 1.00 0.00 C ATOM 791 O GLY A 51 -10.428 -13.764 5.153 1.00 0.00 O ATOM 0 H GLY A 51 -7.729 -16.627 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.001 -16.666 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.849 -16.267 5.499 1.00 0.00 H new ATOM 795 N PHE A 52 -10.677 -14.371 2.988 1.00 0.00 N ATOM 796 CA PHE A 52 -11.332 -13.133 2.601 1.00 0.00 C ATOM 797 C PHE A 52 -12.063 -13.294 1.266 1.00 0.00 C ATOM 798 O PHE A 52 -11.461 -13.690 0.269 1.00 0.00 O ATOM 799 CB PHE A 52 -10.237 -12.077 2.445 1.00 0.00 C ATOM 800 CG PHE A 52 -10.514 -10.777 3.202 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.476 -10.741 4.162 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.797 -9.657 2.915 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.733 -9.534 4.865 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.055 -8.450 3.617 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.017 -8.414 4.578 1.00 0.00 C ATOM 0 H PHE A 52 -10.555 -15.044 2.231 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.066 -12.849 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.292 -12.494 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.114 -11.850 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.045 -11.630 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.032 -9.686 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.497 -9.506 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.487 -7.560 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.212 -7.496 5.113 1.00 0.00 H new ATOM 815 N ASP A 53 -13.349 -12.979 1.291 1.00 0.00 N ATOM 816 CA ASP A 53 -14.168 -13.083 0.095 1.00 0.00 C ATOM 817 C ASP A 53 -15.531 -12.439 0.357 1.00 0.00 C ATOM 818 O ASP A 53 -16.207 -12.781 1.326 1.00 0.00 O ATOM 819 CB ASP A 53 -14.403 -14.547 -0.286 1.00 0.00 C ATOM 820 CG ASP A 53 -13.743 -15.570 0.640 1.00 0.00 C ATOM 821 OD1 ASP A 53 -12.806 -16.279 0.244 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.235 -15.624 1.832 1.00 0.00 O ATOM 0 H ASP A 53 -13.844 -12.652 2.120 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.644 -12.578 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.477 -14.734 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.035 -14.706 -1.300 1.00 0.00 H new ATOM 828 N SER A 54 -15.894 -11.518 -0.523 1.00 0.00 N ATOM 829 CA SER A 54 -17.163 -10.823 -0.399 1.00 0.00 C ATOM 830 C SER A 54 -17.527 -10.658 1.078 1.00 0.00 C ATOM 831 O SER A 54 -17.189 -9.649 1.695 1.00 0.00 O ATOM 832 CB SER A 54 -18.275 -11.569 -1.140 1.00 0.00 C ATOM 833 OG SER A 54 -18.317 -11.228 -2.522 1.00 0.00 O ATOM 0 H SER A 54 -15.331 -11.237 -1.326 1.00 0.00 H new ATOM 0 HA SER A 54 -17.059 -9.838 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.122 -12.643 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.236 -11.338 -0.680 1.00 0.00 H new ATOM 0 HG SER A 54 -19.038 -11.726 -2.960 1.00 0.00 H new ATOM 839 N LEU A 55 -18.212 -11.664 1.601 1.00 0.00 N ATOM 840 CA LEU A 55 -18.626 -11.644 2.994 1.00 0.00 C ATOM 841 C LEU A 55 -17.555 -10.938 3.829 1.00 0.00 C ATOM 842 O LEU A 55 -17.712 -9.772 4.189 1.00 0.00 O ATOM 843 CB LEU A 55 -18.949 -13.059 3.478 1.00 0.00 C ATOM 844 CG LEU A 55 -20.426 -13.355 3.746 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.847 -14.675 3.099 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.726 -13.330 5.246 1.00 0.00 C ATOM 0 H LEU A 55 -18.491 -12.499 1.085 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.548 -11.075 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.586 -13.768 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.389 -13.245 4.395 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.022 -12.567 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.901 -14.861 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.692 -14.618 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.248 -15.488 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.782 -13.543 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.121 -14.084 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.488 -12.345 5.648 1.00 0.00 H new ATOM 858 N ALA A 56 -16.491 -11.675 4.113 1.00 0.00 N ATOM 859 CA ALA A 56 -15.395 -11.134 4.899 1.00 0.00 C ATOM 860 C ALA A 56 -14.923 -9.821 4.272 1.00 0.00 C ATOM 861 O ALA A 56 -14.546 -8.890 4.982 1.00 0.00 O ATOM 862 CB ALA A 56 -14.274 -12.171 4.994 1.00 0.00 C ATOM 0 H ALA A 56 -16.365 -12.642 3.813 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.723 -10.915 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.452 -11.765 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.653 -13.074 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.917 -12.414 3.993 1.00 0.00 H new ATOM 868 N ALA A 57 -14.958 -9.788 2.948 1.00 0.00 N ATOM 869 CA ALA A 57 -14.539 -8.604 2.218 1.00 0.00 C ATOM 870 C ALA A 57 -15.415 -7.419 2.628 1.00 0.00 C ATOM 871 O ALA A 57 -14.983 -6.269 2.557 1.00 0.00 O ATOM 872 CB ALA A 57 -14.602 -8.883 0.714 1.00 0.00 C ATOM 0 H ALA A 57 -15.270 -10.562 2.362 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.507 -8.349 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.288 -7.995 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.940 -9.713 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.624 -9.140 0.434 1.00 0.00 H new ATOM 878 N VAL A 58 -16.630 -7.740 3.049 1.00 0.00 N ATOM 879 CA VAL A 58 -17.570 -6.716 3.471 1.00 0.00 C ATOM 880 C VAL A 58 -17.301 -6.355 4.933 1.00 0.00 C ATOM 881 O VAL A 58 -17.042 -5.195 5.252 1.00 0.00 O ATOM 882 CB VAL A 58 -19.004 -7.190 3.226 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.930 -6.744 4.360 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.520 -6.700 1.872 1.00 0.00 C ATOM 0 H VAL A 58 -16.985 -8.695 3.107 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.437 -5.808 2.882 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.998 -8.280 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.943 -7.094 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.579 -7.164 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.928 -5.656 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.541 -7.051 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.504 -5.610 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.883 -7.089 1.077 1.00 0.00 H new ATOM 894 N ARG A 59 -17.372 -7.369 5.783 1.00 0.00 N ATOM 895 CA ARG A 59 -17.140 -7.172 7.204 1.00 0.00 C ATOM 896 C ARG A 59 -16.012 -6.162 7.422 1.00 0.00 C ATOM 897 O ARG A 59 -16.004 -5.441 8.419 1.00 0.00 O ATOM 898 CB ARG A 59 -16.775 -8.490 7.890 1.00 0.00 C ATOM 899 CG ARG A 59 -17.324 -8.536 9.317 1.00 0.00 C ATOM 900 CD ARG A 59 -17.125 -9.920 9.937 1.00 0.00 C ATOM 901 NE ARG A 59 -18.173 -10.177 10.950 1.00 0.00 N ATOM 902 CZ ARG A 59 -18.306 -11.338 11.625 1.00 0.00 C ATOM 903 NH1 ARG A 59 -17.454 -12.362 11.400 1.00 0.00 N ATOM 904 NH2 ARG A 59 -19.279 -11.458 12.508 1.00 0.00 N ATOM 0 H ARG A 59 -17.587 -8.329 5.515 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.063 -6.791 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.175 -9.326 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.691 -8.606 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.823 -7.785 9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.385 -8.286 9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.163 -10.684 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.139 -9.983 10.398 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.837 -9.429 11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.704 -12.261 10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.561 -13.237 11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.917 -10.680 12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.393 -12.329 13.026 1.00 0.00 H new ATOM 917 N LEU A 60 -15.087 -6.142 6.474 1.00 0.00 N ATOM 918 CA LEU A 60 -13.957 -5.232 6.551 1.00 0.00 C ATOM 919 C LEU A 60 -14.358 -3.877 5.964 1.00 0.00 C ATOM 920 O LEU A 60 -14.156 -2.840 6.594 1.00 0.00 O ATOM 921 CB LEU A 60 -12.725 -5.850 5.885 1.00 0.00 C ATOM 922 CG LEU A 60 -11.623 -4.872 5.475 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.598 -4.698 6.598 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.966 -5.304 4.162 1.00 0.00 C ATOM 0 H LEU A 60 -15.097 -6.741 5.649 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.677 -5.060 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.297 -6.583 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.050 -6.393 4.998 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.079 -3.898 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.826 -3.998 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.095 -4.311 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.142 -5.661 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.186 -4.591 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.527 -6.294 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.717 -5.335 3.372 1.00 0.00 H new ATOM 936 N ARG A 61 -14.918 -3.930 4.765 1.00 0.00 N ATOM 937 CA ARG A 61 -15.349 -2.719 4.086 1.00 0.00 C ATOM 938 C ARG A 61 -16.190 -1.855 5.027 1.00 0.00 C ATOM 939 O ARG A 61 -16.225 -0.633 4.888 1.00 0.00 O ATOM 940 CB ARG A 61 -16.170 -3.050 2.838 1.00 0.00 C ATOM 941 CG ARG A 61 -17.665 -3.089 3.159 1.00 0.00 C ATOM 942 CD ARG A 61 -18.279 -1.690 3.077 1.00 0.00 C ATOM 943 NE ARG A 61 -19.249 -1.627 1.960 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.500 -2.131 2.016 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.945 -2.739 3.136 1.00 0.00 N ATOM 946 NH2 ARG A 61 -21.282 -2.019 0.958 1.00 0.00 N ATOM 0 H ARG A 61 -15.084 -4.792 4.246 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.456 -2.171 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.980 -2.305 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.855 -4.013 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.173 -3.755 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.816 -3.498 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.777 -1.447 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.494 -0.948 2.930 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.954 -1.175 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.334 -2.820 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.892 -3.117 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.938 -1.557 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.230 -2.394 0.983 1.00 0.00 H new ATOM 959 N ASN A 62 -16.848 -2.522 5.963 1.00 0.00 N ATOM 960 CA ASN A 62 -17.687 -1.830 6.926 1.00 0.00 C ATOM 961 C ASN A 62 -16.801 -1.063 7.910 1.00 0.00 C ATOM 962 O ASN A 62 -17.179 0.005 8.389 1.00 0.00 O ATOM 963 CB ASN A 62 -18.537 -2.818 7.727 1.00 0.00 C ATOM 964 CG ASN A 62 -20.025 -2.635 7.422 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.769 -2.029 8.175 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.415 -3.192 6.279 1.00 0.00 N ATOM 0 H ASN A 62 -16.817 -3.535 6.075 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.342 -1.153 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.236 -3.838 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.360 -2.674 8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.390 -3.126 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.739 -3.685 5.695 1.00 0.00 H new ATOM 973 N LEU A 63 -15.639 -1.639 8.182 1.00 0.00 N ATOM 974 CA LEU A 63 -14.696 -1.023 9.100 1.00 0.00 C ATOM 975 C LEU A 63 -13.797 -0.055 8.328 1.00 0.00 C ATOM 976 O LEU A 63 -13.494 1.036 8.810 1.00 0.00 O ATOM 977 CB LEU A 63 -13.924 -2.093 9.874 1.00 0.00 C ATOM 978 CG LEU A 63 -13.555 -1.743 11.317 1.00 0.00 C ATOM 979 CD1 LEU A 63 -13.558 -2.990 12.203 1.00 0.00 C ATOM 980 CD2 LEU A 63 -12.217 -1.001 11.376 1.00 0.00 C ATOM 0 H LEU A 63 -15.329 -2.525 7.783 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.225 -0.437 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.519 -3.006 9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.007 -2.316 9.329 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.316 -1.068 11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.292 -2.712 13.223 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.551 -3.439 12.196 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.832 -3.709 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.978 -0.764 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.432 -1.632 10.958 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.287 -0.079 10.800 1.00 0.00 H new ATOM 992 N LEU A 64 -13.396 -0.488 7.142 1.00 0.00 N ATOM 993 CA LEU A 64 -12.538 0.326 6.298 1.00 0.00 C ATOM 994 C LEU A 64 -13.133 1.731 6.178 1.00 0.00 C ATOM 995 O LEU A 64 -12.418 2.689 5.888 1.00 0.00 O ATOM 996 CB LEU A 64 -12.304 -0.360 4.951 1.00 0.00 C ATOM 997 CG LEU A 64 -11.038 -1.213 4.844 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.781 -1.633 3.395 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.836 -0.489 5.453 1.00 0.00 C ATOM 0 H LEU A 64 -13.650 -1.393 6.745 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.552 0.434 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.164 -0.993 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.269 0.406 4.177 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.190 -2.125 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.876 -2.238 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.627 -2.216 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.657 -0.745 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.950 -1.117 5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.670 0.450 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.030 -0.283 6.506 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.436 1.808 6.407 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.135 3.079 6.328 1.00 0.00 C ATOM 1013 C ASN A 65 -14.501 4.067 7.309 1.00 0.00 C ATOM 1014 O ASN A 65 -14.658 5.279 7.165 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.610 2.921 6.703 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.447 2.531 5.484 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.952 2.393 4.377 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.740 2.362 5.747 1.00 0.00 N ATOM 0 H ASN A 65 -15.025 1.011 6.647 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.060 3.441 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.713 2.161 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.984 3.855 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.383 2.101 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.089 2.493 6.696 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.797 3.513 8.286 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.139 4.330 9.290 1.00 0.00 C ATOM 1027 C ALA A 66 -11.692 4.587 8.865 1.00 0.00 C ATOM 1028 O ALA A 66 -11.049 5.510 9.363 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.232 3.639 10.652 1.00 0.00 C ATOM 0 H ALA A 66 -13.668 2.508 8.403 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.633 5.298 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.738 4.252 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.280 3.506 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.745 2.665 10.600 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.222 3.754 7.947 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.863 3.880 7.449 1.00 0.00 C ATOM 1037 C ALA A 67 -9.693 5.246 6.782 1.00 0.00 C ATOM 1038 O ALA A 67 -8.679 5.915 6.978 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.561 2.723 6.494 1.00 0.00 C ATOM 0 H ALA A 67 -11.758 2.990 7.536 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.147 3.823 8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.542 2.817 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.667 1.777 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.259 2.751 5.657 1.00 0.00 H new ATOM 1045 N THR A 68 -10.700 5.620 6.007 1.00 0.00 N ATOM 1046 CA THR A 68 -10.675 6.895 5.310 1.00 0.00 C ATOM 1047 C THR A 68 -11.729 7.841 5.890 1.00 0.00 C ATOM 1048 O THR A 68 -11.543 9.057 5.891 1.00 0.00 O ATOM 1049 CB THR A 68 -10.861 6.621 3.817 1.00 0.00 C ATOM 1050 OG1 THR A 68 -11.843 5.590 3.772 1.00 0.00 O ATOM 1051 CG2 THR A 68 -9.623 5.985 3.180 1.00 0.00 C ATOM 0 H THR A 68 -11.539 5.062 5.846 1.00 0.00 H new ATOM 0 HA THR A 68 -9.719 7.401 5.446 1.00 0.00 H new ATOM 0 HB THR A 68 -11.095 7.554 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.681 5.952 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.808 5.811 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.770 6.654 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.408 5.036 3.671 1.00 0.00 H new ATOM 1059 N GLY A 69 -12.812 7.247 6.369 1.00 0.00 N ATOM 1060 CA GLY A 69 -13.895 8.021 6.950 1.00 0.00 C ATOM 1061 C GLY A 69 -15.052 8.173 5.961 1.00 0.00 C ATOM 1062 O GLY A 69 -16.032 8.861 6.247 1.00 0.00 O ATOM 0 H GLY A 69 -12.962 6.238 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.250 7.533 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.528 9.006 7.240 1.00 0.00 H new ATOM 1066 N LEU A 70 -14.902 7.520 4.818 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.922 7.574 3.785 1.00 0.00 C ATOM 1068 C LEU A 70 -16.337 6.150 3.409 1.00 0.00 C ATOM 1069 O LEU A 70 -15.908 5.187 4.043 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.438 8.408 2.597 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.305 7.800 1.768 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.655 7.798 0.279 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.980 8.512 2.045 1.00 0.00 C ATOM 0 H LEU A 70 -14.089 6.950 4.585 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.814 8.079 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.286 8.591 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.109 9.378 2.970 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.181 6.760 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.833 7.361 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.559 7.211 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.823 8.821 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.191 8.060 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.073 9.567 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.730 8.417 3.102 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.166 6.062 2.380 1.00 0.00 N ATOM 1086 CA ARG A 71 -17.643 4.772 1.912 1.00 0.00 C ATOM 1087 C ARG A 71 -16.641 4.158 0.932 1.00 0.00 C ATOM 1088 O ARG A 71 -15.727 4.838 0.467 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.003 4.905 1.222 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.137 4.496 2.164 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.333 3.954 1.378 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.594 4.300 2.073 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.806 3.817 1.726 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.932 2.962 0.689 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.866 4.194 2.417 1.00 0.00 N ATOM 0 H ARG A 71 -17.520 6.863 1.857 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.750 4.124 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.150 5.934 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.024 4.281 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.780 3.737 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.447 5.354 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.337 4.372 0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.250 2.872 1.274 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.544 4.943 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.108 2.676 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.852 2.602 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.761 4.840 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.789 3.839 2.169 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.845 2.880 0.649 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.970 2.167 -0.266 1.00 0.00 C ATOM 1110 C LEU A 72 -16.746 1.021 -0.917 1.00 0.00 C ATOM 1111 O LEU A 72 -17.800 0.622 -0.426 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.696 1.718 0.452 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.598 2.774 0.594 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.327 3.088 2.067 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.328 2.348 -0.144 1.00 0.00 C ATOM 0 H LEU A 72 -17.604 2.320 1.037 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.640 2.826 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.968 1.369 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.283 0.863 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.948 3.695 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.543 3.841 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.238 3.466 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.008 2.181 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.564 3.116 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.964 1.408 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.550 2.215 -1.203 1.00 0.00 H new ATOM 1127 N PRO A 73 -16.179 0.509 -2.043 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.805 -0.583 -2.767 1.00 0.00 C ATOM 1129 C PRO A 73 -16.617 -1.910 -2.028 1.00 0.00 C ATOM 1130 O PRO A 73 -15.561 -2.156 -1.446 1.00 0.00 O ATOM 1131 CB PRO A 73 -16.154 -0.571 -4.140 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.866 0.222 -3.983 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.930 0.957 -2.654 1.00 0.00 C ATOM 0 HA PRO A 73 -17.885 -0.465 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.949 -1.585 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.809 -0.110 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.003 -0.443 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.750 0.929 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.073 0.715 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.925 2.037 -2.798 1.00 0.00 H new ATOM 1141 N SER A 74 -17.657 -2.729 -2.074 1.00 0.00 N ATOM 1142 CA SER A 74 -17.619 -4.025 -1.417 1.00 0.00 C ATOM 1143 C SER A 74 -16.768 -5.001 -2.231 1.00 0.00 C ATOM 1144 O SER A 74 -16.359 -6.045 -1.725 1.00 0.00 O ATOM 1145 CB SER A 74 -19.030 -4.585 -1.222 1.00 0.00 C ATOM 1146 OG SER A 74 -19.468 -4.472 0.129 1.00 0.00 O ATOM 0 H SER A 74 -18.531 -2.521 -2.556 1.00 0.00 H new ATOM 0 HA SER A 74 -17.169 -3.896 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.724 -4.054 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.049 -5.633 -1.523 1.00 0.00 H new ATOM 0 HG SER A 74 -20.385 -4.809 0.205 1.00 0.00 H new ATOM 1152 N THR A 75 -16.526 -4.626 -3.479 1.00 0.00 N ATOM 1153 CA THR A 75 -15.731 -5.456 -4.368 1.00 0.00 C ATOM 1154 C THR A 75 -14.249 -5.090 -4.255 1.00 0.00 C ATOM 1155 O THR A 75 -13.394 -5.774 -4.815 1.00 0.00 O ATOM 1156 CB THR A 75 -16.289 -5.301 -5.784 1.00 0.00 C ATOM 1157 OG1 THR A 75 -16.106 -3.919 -6.080 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.805 -5.496 -5.841 1.00 0.00 C ATOM 0 H THR A 75 -16.866 -3.759 -3.895 1.00 0.00 H new ATOM 0 HA THR A 75 -15.796 -6.508 -4.091 1.00 0.00 H new ATOM 0 HB THR A 75 -15.805 -6.020 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.440 -3.731 -6.982 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.149 -5.375 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.057 -6.497 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.291 -4.755 -5.206 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.992 -4.013 -3.528 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.629 -3.549 -3.335 1.00 0.00 C ATOM 1168 C LEU A 76 -11.739 -4.736 -2.961 1.00 0.00 C ATOM 1169 O LEU A 76 -10.617 -4.853 -3.452 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.591 -2.407 -2.316 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.605 -2.822 -0.844 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.182 -2.977 -0.304 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.432 -1.843 -0.007 1.00 0.00 C ATOM 0 H LEU A 76 -14.705 -3.448 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.234 -3.133 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.694 -1.814 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.446 -1.756 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.086 -3.797 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.221 -3.273 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.657 -3.741 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.653 -2.028 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.426 -2.161 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.002 -0.844 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.458 -1.826 -0.375 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.272 -5.585 -2.096 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.540 -6.759 -1.651 1.00 0.00 C ATOM 1187 C VAL A 77 -11.786 -7.909 -2.629 1.00 0.00 C ATOM 1188 O VAL A 77 -11.913 -9.062 -2.218 1.00 0.00 O ATOM 1189 CB VAL A 77 -11.928 -7.104 -0.212 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.022 -8.199 0.353 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.904 -5.859 0.676 1.00 0.00 C ATOM 0 H VAL A 77 -13.203 -5.484 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.468 -6.561 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.948 -7.487 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.320 -8.425 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.112 -9.097 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.987 -7.856 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.184 -6.132 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.901 -5.432 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.610 -5.124 0.291 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.846 -7.557 -3.905 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.075 -8.545 -4.945 1.00 0.00 C ATOM 1203 C PHE A 78 -11.187 -8.277 -6.162 1.00 0.00 C ATOM 1204 O PHE A 78 -10.594 -9.200 -6.718 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.542 -8.424 -5.362 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.158 -9.734 -5.857 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.126 -10.842 -5.068 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.737 -9.792 -7.086 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.698 -12.058 -5.527 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.309 -11.008 -7.545 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.277 -12.115 -6.756 1.00 0.00 C ATOM 0 H PHE A 78 -11.740 -6.600 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.840 -9.541 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.121 -8.060 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.625 -7.675 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.665 -10.797 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -14.762 -8.913 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.673 -12.937 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -15.769 -11.054 -8.521 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.712 -13.040 -7.106 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.123 -7.008 -6.539 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.318 -6.607 -7.680 1.00 0.00 C ATOM 1223 C ASP A 79 -8.921 -6.211 -7.198 1.00 0.00 C ATOM 1224 O ASP A 79 -8.109 -5.715 -7.978 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.933 -5.399 -8.391 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.933 -5.479 -9.918 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.870 -5.505 -10.557 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -12.102 -5.515 -10.463 1.00 0.00 O ATOM 0 H ASP A 79 -11.615 -6.245 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.271 -7.448 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.961 -5.279 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.390 -4.503 -8.089 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.684 -6.444 -5.916 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.399 -6.118 -5.321 1.00 0.00 C ATOM 1236 C HIS A 80 -6.511 -7.364 -5.302 1.00 0.00 C ATOM 1237 O HIS A 80 -6.915 -8.411 -4.798 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.584 -5.500 -3.933 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.638 -6.511 -2.813 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.780 -6.741 -1.778 1.00 0.00 N flip ATOM 1241 CD2 HIS A 80 -8.667 -7.427 -2.679 1.00 0.00 C flip ATOM 1242 CE1 HIS A 80 -7.260 -7.742 -1.050 1.00 0.00 C flip ATOM 1243 NE2 HIS A 80 -8.429 -8.169 -1.607 1.00 0.00 N flip ATOM 0 H HIS A 80 -9.360 -6.855 -5.272 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.895 -5.365 -5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.765 -4.806 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.504 -4.916 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.519 -7.521 -3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.800 -8.151 -0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.017 -8.927 -1.260 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.286 -7.206 -5.871 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.338 -8.305 -5.924 1.00 0.00 C ATOM 1253 C PRO A 81 -3.706 -8.551 -4.552 1.00 0.00 C ATOM 1254 O PRO A 81 -3.296 -9.669 -4.245 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.324 -7.899 -6.981 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.474 -6.396 -7.147 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.774 -5.981 -6.478 1.00 0.00 C ATOM 0 HA PRO A 81 -4.808 -9.253 -6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.312 -8.159 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.512 -8.417 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.629 -5.876 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.486 -6.128 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.604 -5.208 -5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.479 -5.573 -7.202 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.649 -7.488 -3.764 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.074 -7.574 -2.432 1.00 0.00 C ATOM 1267 C ASN A 82 -3.471 -6.334 -1.629 1.00 0.00 C ATOM 1268 O ASN A 82 -3.853 -5.315 -2.202 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.546 -7.628 -2.494 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.066 -7.980 -3.903 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.983 -7.142 -4.786 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.756 -9.263 -4.064 1.00 0.00 N ATOM 0 H ASN A 82 -3.991 -6.562 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.448 -8.483 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.132 -6.665 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.176 -8.368 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.426 -9.598 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.848 -9.912 -3.283 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.368 -6.462 -0.314 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.712 -5.365 0.574 1.00 0.00 C ATOM 1281 C ALA A 83 -3.068 -4.076 0.058 1.00 0.00 C ATOM 1282 O ALA A 83 -3.733 -3.047 -0.053 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.274 -5.705 2.000 1.00 0.00 C ATOM 0 H ALA A 83 -3.051 -7.309 0.158 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.791 -5.210 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.532 -4.882 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.781 -6.612 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.196 -5.864 2.021 1.00 0.00 H new ATOM 1289 N SER A 84 -1.782 -4.175 -0.243 1.00 0.00 N ATOM 1290 CA SER A 84 -1.041 -3.030 -0.744 1.00 0.00 C ATOM 1291 C SER A 84 -1.915 -2.221 -1.705 1.00 0.00 C ATOM 1292 O SER A 84 -1.757 -1.006 -1.820 1.00 0.00 O ATOM 1293 CB SER A 84 0.247 -3.470 -1.442 1.00 0.00 C ATOM 1294 OG SER A 84 1.386 -2.765 -0.955 1.00 0.00 O ATOM 0 H SER A 84 -1.234 -5.030 -0.150 1.00 0.00 H new ATOM 0 HA SER A 84 -0.767 -2.403 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.392 -4.540 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.151 -3.307 -2.516 1.00 0.00 H new ATOM 0 HG SER A 84 2.188 -3.076 -1.424 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.818 -2.926 -2.369 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.717 -2.289 -3.316 1.00 0.00 C ATOM 1302 C ALA A 85 -4.830 -1.570 -2.551 1.00 0.00 C ATOM 1303 O ALA A 85 -5.061 -0.380 -2.756 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.261 -3.337 -4.289 1.00 0.00 C ATOM 0 H ALA A 85 -2.947 -3.933 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.186 -1.542 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.935 -2.859 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.433 -3.797 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.803 -4.103 -3.734 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.492 -2.324 -1.685 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.575 -1.774 -0.889 1.00 0.00 C ATOM 1312 C VAL A 86 -6.175 -0.389 -0.378 1.00 0.00 C ATOM 1313 O VAL A 86 -6.935 0.569 -0.509 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.941 -2.744 0.237 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.888 -2.084 1.242 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.548 -4.032 -0.324 1.00 0.00 C ATOM 0 H VAL A 86 -5.299 -3.311 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.471 -1.649 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.024 -3.008 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.133 -2.794 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.405 -1.209 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.802 -1.778 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.799 -4.704 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.451 -3.794 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.827 -4.517 -0.982 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.981 -0.326 0.193 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.470 0.926 0.724 1.00 0.00 C ATOM 1328 C ALA A 87 -4.683 2.037 -0.306 1.00 0.00 C ATOM 1329 O ALA A 87 -5.079 3.147 0.045 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.997 0.757 1.103 1.00 0.00 C ATOM 0 H ALA A 87 -4.353 -1.122 0.299 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.009 1.207 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.614 1.696 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.903 -0.023 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.424 0.477 0.219 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.412 1.699 -1.558 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.569 2.654 -2.642 1.00 0.00 C ATOM 1338 C GLY A 88 -6.043 3.005 -2.854 1.00 0.00 C ATOM 1339 O GLY A 88 -6.447 4.150 -2.655 1.00 0.00 O ATOM 0 H GLY A 88 -4.085 0.777 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.004 3.559 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.155 2.238 -3.561 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.807 1.999 -3.254 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.227 2.187 -3.495 1.00 0.00 C ATOM 1345 C PHE A 89 -8.846 3.103 -2.436 1.00 0.00 C ATOM 1346 O PHE A 89 -9.803 3.823 -2.716 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.883 0.808 -3.405 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.572 0.361 -4.696 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.827 0.015 -5.780 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.930 0.311 -4.759 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.467 -0.400 -6.978 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.570 -0.103 -5.957 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.825 -0.450 -7.041 1.00 0.00 C ATOM 0 H PHE A 89 -6.469 1.051 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.381 2.648 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.124 0.073 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.616 0.818 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.749 0.056 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.521 0.586 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.876 -0.676 -7.839 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.648 -0.142 -6.008 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.312 -0.765 -7.952 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.274 3.045 -1.243 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.757 3.860 -0.141 1.00 0.00 C ATOM 1365 C LEU A 90 -8.126 5.251 -0.226 1.00 0.00 C ATOM 1366 O LEU A 90 -8.818 6.260 -0.101 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.513 3.155 1.194 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.625 2.219 1.672 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.591 0.894 0.908 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.553 2.009 3.186 1.00 0.00 C ATOM 0 H LEU A 90 -7.480 2.446 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.836 3.994 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.590 2.580 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.351 3.914 1.959 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.584 2.691 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.391 0.247 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.728 1.084 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.630 0.406 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.355 1.340 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.590 1.569 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.663 2.968 3.692 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.818 5.261 -0.439 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.086 6.512 -0.543 1.00 0.00 C ATOM 1384 C ASP A 91 -6.621 7.314 -1.731 1.00 0.00 C ATOM 1385 O ASP A 91 -6.754 8.534 -1.651 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.595 6.259 -0.775 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.657 7.279 -0.125 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.683 7.481 1.098 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.864 7.888 -0.940 1.00 0.00 O ATOM 0 H ASP A 91 -6.246 4.423 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.218 7.059 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.347 5.267 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.407 6.247 -1.849 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.913 6.596 -2.805 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.430 7.226 -4.008 1.00 0.00 C ATOM 1397 C ALA A 92 -8.890 7.624 -3.783 1.00 0.00 C ATOM 1398 O ALA A 92 -9.377 8.579 -4.386 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.261 6.275 -5.195 1.00 0.00 C ATOM 0 H ALA A 92 -6.802 5.584 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.872 8.134 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.649 6.747 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.204 6.046 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.810 5.353 -5.004 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.547 6.872 -2.912 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.942 7.134 -2.600 1.00 0.00 C ATOM 1407 C GLU A 93 -11.050 8.209 -1.517 1.00 0.00 C ATOM 1408 O GLU A 93 -12.070 8.888 -1.410 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.659 5.852 -2.173 1.00 0.00 C ATOM 1410 CG GLU A 93 -13.045 6.162 -1.604 1.00 0.00 C ATOM 1411 CD GLU A 93 -14.035 5.042 -1.930 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.625 3.885 -2.109 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -15.270 5.407 -1.994 1.00 0.00 O ATOM 0 H GLU A 93 -9.139 6.082 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.433 7.502 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.754 5.183 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.063 5.330 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.978 6.290 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.408 7.104 -2.015 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.983 8.331 -0.740 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.945 9.312 0.331 1.00 0.00 C ATOM 1423 C LEU A 94 -9.380 10.628 -0.208 1.00 0.00 C ATOM 1424 O LEU A 94 -9.681 11.698 0.318 1.00 0.00 O ATOM 1425 CB LEU A 94 -9.178 8.761 1.535 1.00 0.00 C ATOM 1426 CG LEU A 94 -7.731 9.234 1.682 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.665 10.585 2.396 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -6.876 8.175 2.381 1.00 0.00 C ATOM 0 H LEU A 94 -9.138 7.766 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.952 9.521 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.721 9.030 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.179 7.673 1.474 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.316 9.376 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.625 10.898 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.218 11.328 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.105 10.494 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.852 8.537 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.281 7.977 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.885 7.256 1.796 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.571 10.505 -1.250 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.961 11.671 -1.866 1.00 0.00 C ATOM 1442 C GLY A 95 -9.005 12.507 -2.610 1.00 0.00 C ATOM 1443 O GLY A 95 -10.188 12.169 -2.615 1.00 0.00 O ATOM 0 H GLY A 95 -8.324 9.615 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.479 12.281 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.182 11.355 -2.559 1.00 0.00 H new