USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 727 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 TYR OH : rot 165:sc= -0.125 USER MOD Set 2.1: A 76 MET CE :methyl -114:sc= -0.0213 (180deg=-1.15) USER MOD Set 2.2: A 83 SER OG : rot 3:sc= -0.926 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -15:sc= -2.25! USER MOD Single : A 42 THR OG1 : rot 88:sc= -0.355 USER MOD Single : A 43 GLN : amide:sc=-0.00108 X(o=-0.0011,f=-0.0014) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.131 K(o=0.13,f=-0.96) USER MOD Single : A 54 ASN : amide:sc= -2.72 K(o=-2.7,f=-3.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.785 F(o=-1.3,f=-0.78) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.365 F(o=-1.2,f=-0.36) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -120:sc= -3.57! USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 93 SER OG : rot -150:sc= 0.919 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 101 ASN : amide:sc= -2.14 K(o=-2.1,f=-7.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 157:sc= -0.106 (180deg=-0.462) USER MOD Single : A 124 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.093 8.425 9.433 1.00 0.00 N ATOM 231 CA ILE A 35 1.013 8.403 7.978 1.00 0.00 C ATOM 232 C ILE A 35 -0.179 9.214 7.481 1.00 0.00 C ATOM 233 O ILE A 35 -1.320 8.954 7.860 1.00 0.00 O ATOM 234 CB ILE A 35 0.901 6.964 7.441 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.182 6.184 7.741 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.620 6.977 5.947 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.039 4.690 7.547 1.00 0.00 C ATOM 0 HA ILE A 35 1.935 8.850 7.605 1.00 0.00 H new ATOM 0 HB ILE A 35 0.070 6.468 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.981 6.551 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.486 6.381 8.769 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.544 5.953 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.317 7.501 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.432 7.487 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.985 4.201 7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.263 4.310 8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.766 4.482 6.513 1.00 0.00 H new ATOM 249 N GLU A 36 0.095 10.196 6.628 1.00 0.00 N ATOM 250 CA GLU A 36 -0.956 11.044 6.078 1.00 0.00 C ATOM 251 C GLU A 36 -1.286 10.640 4.644 1.00 0.00 C ATOM 252 O GLU A 36 -0.401 10.539 3.795 1.00 0.00 O ATOM 253 CB GLU A 36 -0.532 12.513 6.121 1.00 0.00 C ATOM 254 CG GLU A 36 -0.318 13.044 7.527 1.00 0.00 C ATOM 255 CD GLU A 36 -0.255 14.559 7.577 1.00 0.00 C ATOM 256 OE1 GLU A 36 -1.313 15.202 7.408 1.00 0.00 O ATOM 257 OE2 GLU A 36 0.850 15.101 7.782 1.00 0.00 O ATOM 0 H GLU A 36 1.035 10.424 6.303 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.849 10.914 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.390 12.633 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.293 13.116 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.127 12.697 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.608 12.632 7.930 1.00 0.00 H new ATOM 264 N THR A 37 -2.569 10.408 4.381 1.00 0.00 N ATOM 265 CA THR A 37 -3.018 10.013 3.052 1.00 0.00 C ATOM 266 C THR A 37 -4.036 11.003 2.499 1.00 0.00 C ATOM 267 O THR A 37 -4.922 11.466 3.219 1.00 0.00 O ATOM 268 CB THR A 37 -3.642 8.606 3.065 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.870 8.620 3.801 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.686 7.595 3.683 1.00 0.00 C ATOM 0 H THR A 37 -3.315 10.487 5.072 1.00 0.00 H new ATOM 0 HA THR A 37 -2.137 10.005 2.410 1.00 0.00 H new ATOM 0 HB THR A 37 -3.841 8.312 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.261 7.721 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.149 6.608 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.764 7.564 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.460 7.888 4.708 1.00 0.00 H new ATOM 278 N VAL A 38 -3.907 11.324 1.216 1.00 0.00 N ATOM 279 CA VAL A 38 -4.818 12.258 0.565 1.00 0.00 C ATOM 280 C VAL A 38 -6.127 11.574 0.185 1.00 0.00 C ATOM 281 O VAL A 38 -6.271 10.361 0.335 1.00 0.00 O ATOM 282 CB VAL A 38 -4.187 12.871 -0.698 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.990 13.736 -0.332 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.783 11.778 -1.677 1.00 0.00 C ATOM 0 H VAL A 38 -3.180 10.951 0.606 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.021 13.053 1.282 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.930 13.505 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.557 14.161 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.311 14.541 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.242 13.127 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.339 12.230 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.057 11.116 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.664 11.204 -1.965 1.00 0.00 H new ATOM 294 N SER A 39 -7.078 12.361 -0.309 1.00 0.00 N ATOM 295 CA SER A 39 -8.377 11.832 -0.708 1.00 0.00 C ATOM 296 C SER A 39 -8.405 11.533 -2.204 1.00 0.00 C ATOM 297 O SER A 39 -8.892 10.484 -2.629 1.00 0.00 O ATOM 298 CB SER A 39 -9.485 12.825 -0.355 1.00 0.00 C ATOM 299 OG SER A 39 -10.706 12.154 -0.092 1.00 0.00 O ATOM 0 H SER A 39 -6.973 13.367 -0.442 1.00 0.00 H new ATOM 0 HA SER A 39 -8.546 10.902 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.191 13.408 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.622 13.529 -1.176 1.00 0.00 H new ATOM 0 HG SER A 39 -11.398 12.810 0.133 1.00 0.00 H new ATOM 305 N TYR A 40 -7.879 12.459 -2.996 1.00 0.00 N ATOM 306 CA TYR A 40 -7.845 12.297 -4.445 1.00 0.00 C ATOM 307 C TYR A 40 -6.998 11.091 -4.838 1.00 0.00 C ATOM 308 O TYR A 40 -6.261 10.542 -4.020 1.00 0.00 O ATOM 309 CB TYR A 40 -7.293 13.561 -5.109 1.00 0.00 C ATOM 310 CG TYR A 40 -6.009 14.059 -4.486 1.00 0.00 C ATOM 311 CD1 TYR A 40 -6.032 14.922 -3.395 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.773 13.670 -4.986 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.861 15.381 -2.824 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.598 14.123 -4.420 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.647 14.979 -3.339 1.00 0.00 C ATOM 316 OH TYR A 40 -2.478 15.433 -2.773 1.00 0.00 O ATOM 0 H TYR A 40 -7.470 13.331 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.865 12.130 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.120 13.360 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.044 14.349 -5.053 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.981 15.238 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.730 13.001 -5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.896 16.052 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.646 13.809 -4.821 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.671 16.198 -2.192 1.00 0.00 H new ATOM 326 N ALA A 41 -7.109 10.684 -6.098 1.00 0.00 N ATOM 327 CA ALA A 41 -6.352 9.546 -6.603 1.00 0.00 C ATOM 328 C ALA A 41 -4.871 9.886 -6.735 1.00 0.00 C ATOM 329 O ALA A 41 -4.510 11.005 -7.098 1.00 0.00 O ATOM 330 CB ALA A 41 -6.913 9.090 -7.943 1.00 0.00 C ATOM 0 H ALA A 41 -7.716 11.126 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.448 8.731 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.337 8.239 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.956 8.797 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.848 9.907 -8.662 1.00 0.00 H new ATOM 336 N THR A 42 -4.016 8.912 -6.437 1.00 0.00 N ATOM 337 CA THR A 42 -2.574 9.109 -6.520 1.00 0.00 C ATOM 338 C THR A 42 -1.885 7.881 -7.106 1.00 0.00 C ATOM 339 O THR A 42 -2.319 6.751 -6.885 1.00 0.00 O ATOM 340 CB THR A 42 -1.968 9.414 -5.137 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.480 8.495 -4.165 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.282 10.839 -4.711 1.00 0.00 C ATOM 0 H THR A 42 -4.298 7.979 -6.136 1.00 0.00 H new ATOM 0 HA THR A 42 -2.408 9.963 -7.176 1.00 0.00 H new ATOM 0 HB THR A 42 -0.886 9.303 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.913 7.696 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.844 11.031 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.865 11.536 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.362 10.973 -4.658 1.00 0.00 H new ATOM 350 N GLN A 43 -0.810 8.113 -7.851 1.00 0.00 N ATOM 351 CA GLN A 43 -0.061 7.024 -8.469 1.00 0.00 C ATOM 352 C GLN A 43 0.532 6.102 -7.408 1.00 0.00 C ATOM 353 O GLN A 43 0.741 4.913 -7.653 1.00 0.00 O ATOM 354 CB GLN A 43 1.053 7.582 -9.356 1.00 0.00 C ATOM 355 CG GLN A 43 0.623 7.825 -10.794 1.00 0.00 C ATOM 356 CD GLN A 43 1.660 8.589 -11.592 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.031 9.708 -11.239 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.133 7.987 -12.677 1.00 0.00 N ATOM 0 H GLN A 43 -0.438 9.043 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.750 6.445 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.410 8.519 -8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.893 6.888 -9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.430 6.868 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.315 8.380 -10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.797 7.058 -12.932 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.832 8.453 -13.255 1.00 0.00 H new ATOM 367 N SER A 44 0.801 6.657 -6.232 1.00 0.00 N ATOM 368 CA SER A 44 1.373 5.884 -5.135 1.00 0.00 C ATOM 369 C SER A 44 0.282 5.393 -4.188 1.00 0.00 C ATOM 370 O SER A 44 -0.787 5.998 -4.087 1.00 0.00 O ATOM 371 CB SER A 44 2.390 6.729 -4.364 1.00 0.00 C ATOM 372 OG SER A 44 3.286 7.380 -5.249 1.00 0.00 O ATOM 0 H SER A 44 0.632 7.639 -6.013 1.00 0.00 H new ATOM 0 HA SER A 44 1.878 5.017 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.868 7.470 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.949 6.094 -3.677 1.00 0.00 H new ATOM 0 HG SER A 44 3.925 7.915 -4.733 1.00 0.00 H new ATOM 378 N LEU A 45 0.558 4.293 -3.496 1.00 0.00 N ATOM 379 CA LEU A 45 -0.399 3.720 -2.557 1.00 0.00 C ATOM 380 C LEU A 45 0.315 3.121 -1.349 1.00 0.00 C ATOM 381 O LEU A 45 1.375 2.510 -1.482 1.00 0.00 O ATOM 382 CB LEU A 45 -1.241 2.646 -3.249 1.00 0.00 C ATOM 383 CG LEU A 45 -2.131 3.126 -4.396 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.651 1.944 -5.200 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.287 3.958 -3.861 1.00 0.00 C ATOM 0 H LEU A 45 1.437 3.780 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.053 4.520 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.570 1.878 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.874 2.170 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.532 3.753 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.282 2.306 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.810 1.388 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.234 1.290 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.910 4.291 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.885 3.354 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.896 4.826 -3.330 1.00 0.00 H new ATOM 397 N VAL A 46 -0.275 3.301 -0.171 1.00 0.00 N ATOM 398 CA VAL A 46 0.304 2.778 1.061 1.00 0.00 C ATOM 399 C VAL A 46 -0.462 1.551 1.548 1.00 0.00 C ATOM 400 O VAL A 46 -1.649 1.631 1.862 1.00 0.00 O ATOM 401 CB VAL A 46 0.309 3.841 2.175 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.112 4.223 2.557 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.079 3.339 3.386 1.00 0.00 C ATOM 0 H VAL A 46 -1.153 3.805 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 46 1.332 2.497 0.834 1.00 0.00 H new ATOM 0 HB VAL A 46 0.809 4.733 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.087 4.975 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.627 4.628 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.643 3.340 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.072 4.103 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.609 2.431 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.108 3.122 3.099 1.00 0.00 H new ATOM 413 N VAL A 47 0.229 0.417 1.610 1.00 0.00 N ATOM 414 CA VAL A 47 -0.384 -0.826 2.061 1.00 0.00 C ATOM 415 C VAL A 47 -0.362 -0.930 3.581 1.00 0.00 C ATOM 416 O VAL A 47 0.700 -1.033 4.192 1.00 0.00 O ATOM 417 CB VAL A 47 0.330 -2.053 1.464 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.567 -3.280 1.529 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.760 -1.774 0.031 1.00 0.00 C ATOM 0 H VAL A 47 1.213 0.334 1.354 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.418 -0.812 1.715 1.00 0.00 H new ATOM 0 HB VAL A 47 1.223 -2.254 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.044 -4.136 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.821 -3.491 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.480 -3.094 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.263 -2.652 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.117 -1.546 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.443 -0.925 0.015 1.00 0.00 H new ATOM 429 N ALA A 48 -1.545 -0.903 4.188 1.00 0.00 N ATOM 430 CA ALA A 48 -1.662 -0.996 5.638 1.00 0.00 C ATOM 431 C ALA A 48 -1.723 -2.451 6.091 1.00 0.00 C ATOM 432 O ALA A 48 -1.919 -3.355 5.281 1.00 0.00 O ATOM 433 CB ALA A 48 -2.892 -0.240 6.117 1.00 0.00 C ATOM 0 H ALA A 48 -2.435 -0.817 3.698 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.775 -0.542 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.967 -0.318 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.808 0.809 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.784 -0.669 5.660 1.00 0.00 H new ATOM 439 N ASN A 49 -1.553 -2.668 7.391 1.00 0.00 N ATOM 440 CA ASN A 49 -1.587 -4.014 7.951 1.00 0.00 C ATOM 441 C ASN A 49 -0.738 -4.971 7.121 1.00 0.00 C ATOM 442 O ASN A 49 -0.984 -6.176 7.098 1.00 0.00 O ATOM 443 CB ASN A 49 -3.028 -4.523 8.022 1.00 0.00 C ATOM 444 CG ASN A 49 -3.888 -3.699 8.960 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.377 -3.004 9.839 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.201 -3.773 8.778 1.00 0.00 N ATOM 0 H ASN A 49 -1.390 -1.930 8.076 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.174 -3.971 8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.466 -4.506 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.027 -5.562 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.830 -3.241 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.581 -4.362 8.037 1.00 0.00 H new ATOM 453 N GLY A 50 0.266 -4.425 6.440 1.00 0.00 N ATOM 454 CA GLY A 50 1.137 -5.244 5.618 1.00 0.00 C ATOM 455 C GLY A 50 2.603 -5.032 5.938 1.00 0.00 C ATOM 456 O GLY A 50 3.011 -5.107 7.096 1.00 0.00 O ATOM 0 H GLY A 50 0.491 -3.430 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.885 -6.295 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.961 -5.015 4.567 1.00 0.00 H new ATOM 460 N GLY A 51 3.399 -4.767 4.907 1.00 0.00 N ATOM 461 CA GLY A 51 4.821 -4.549 5.104 1.00 0.00 C ATOM 462 C GLY A 51 5.526 -5.777 5.644 1.00 0.00 C ATOM 463 O GLY A 51 4.908 -6.621 6.293 1.00 0.00 O ATOM 0 H GLY A 51 3.085 -4.699 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.276 -4.260 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.966 -3.718 5.794 1.00 0.00 H new ATOM 467 N LEU A 52 6.823 -5.879 5.376 1.00 0.00 N ATOM 468 CA LEU A 52 7.613 -7.014 5.838 1.00 0.00 C ATOM 469 C LEU A 52 7.269 -7.365 7.282 1.00 0.00 C ATOM 470 O LEU A 52 6.937 -8.509 7.592 1.00 0.00 O ATOM 471 CB LEU A 52 9.106 -6.704 5.719 1.00 0.00 C ATOM 472 CG LEU A 52 9.608 -6.347 4.319 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.933 -5.607 4.400 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.747 -7.602 3.468 1.00 0.00 C ATOM 0 H LEU A 52 7.350 -5.189 4.841 1.00 0.00 H new ATOM 0 HA LEU A 52 7.375 -7.871 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.339 -5.876 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.666 -7.569 6.074 1.00 0.00 H new ATOM 0 HG LEU A 52 8.877 -5.690 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.275 -5.361 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.803 -4.689 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.673 -6.239 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.105 -7.330 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.458 -8.282 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.778 -8.093 3.382 1.00 0.00 H new ATOM 486 N GLY A 53 7.348 -6.372 8.163 1.00 0.00 N ATOM 487 CA GLY A 53 7.040 -6.595 9.563 1.00 0.00 C ATOM 488 C GLY A 53 5.854 -7.521 9.755 1.00 0.00 C ATOM 489 O GLY A 53 5.805 -8.284 10.718 1.00 0.00 O ATOM 0 H GLY A 53 7.620 -5.417 7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.912 -7.019 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.832 -5.639 10.043 1.00 0.00 H new ATOM 493 N ASN A 54 4.897 -7.451 8.836 1.00 0.00 N ATOM 494 CA ASN A 54 3.704 -8.288 8.911 1.00 0.00 C ATOM 495 C ASN A 54 3.911 -9.598 8.156 1.00 0.00 C ATOM 496 O ASN A 54 2.988 -10.121 7.535 1.00 0.00 O ATOM 497 CB ASN A 54 2.497 -7.543 8.339 1.00 0.00 C ATOM 498 CG ASN A 54 1.180 -8.169 8.757 1.00 0.00 C ATOM 499 OD1 ASN A 54 0.935 -9.349 8.506 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.326 -7.380 9.397 1.00 0.00 N ATOM 0 H ASN A 54 4.923 -6.825 8.031 1.00 0.00 H new ATOM 0 HA ASN A 54 3.517 -8.519 9.960 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.524 -6.505 8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.562 -7.532 7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.576 -7.746 9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.572 -6.408 9.584 1.00 0.00 H new ATOM 507 N GLY A 55 5.132 -10.123 8.216 1.00 0.00 N ATOM 508 CA GLY A 55 5.438 -11.367 7.536 1.00 0.00 C ATOM 509 C GLY A 55 4.984 -11.363 6.089 1.00 0.00 C ATOM 510 O GLY A 55 4.555 -12.391 5.562 1.00 0.00 O ATOM 0 H GLY A 55 5.914 -9.708 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.513 -11.545 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.959 -12.193 8.062 1.00 0.00 H new ATOM 514 N VAL A 56 5.076 -10.204 5.444 1.00 0.00 N ATOM 515 CA VAL A 56 4.671 -10.072 4.050 1.00 0.00 C ATOM 516 C VAL A 56 5.876 -9.829 3.148 1.00 0.00 C ATOM 517 O VAL A 56 6.485 -8.760 3.181 1.00 0.00 O ATOM 518 CB VAL A 56 3.667 -8.919 3.865 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.414 -8.662 2.388 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.365 -9.226 4.590 1.00 0.00 C ATOM 0 H VAL A 56 5.427 -9.344 5.865 1.00 0.00 H new ATOM 0 HA VAL A 56 4.193 -11.011 3.769 1.00 0.00 H new ATOM 0 HB VAL A 56 4.095 -8.015 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.702 -7.844 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.351 -8.396 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.007 -9.562 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.667 -8.401 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.931 -10.141 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.563 -9.356 5.654 1.00 0.00 H new ATOM 530 N SER A 57 6.216 -10.830 2.342 1.00 0.00 N ATOM 531 CA SER A 57 7.351 -10.728 1.432 1.00 0.00 C ATOM 532 C SER A 57 6.955 -10.002 0.150 1.00 0.00 C ATOM 533 O SER A 57 5.782 -9.968 -0.221 1.00 0.00 O ATOM 534 CB SER A 57 7.891 -12.119 1.098 1.00 0.00 C ATOM 535 OG SER A 57 9.200 -12.043 0.562 1.00 0.00 O ATOM 0 H SER A 57 5.721 -11.721 2.301 1.00 0.00 H new ATOM 0 HA SER A 57 8.133 -10.153 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.898 -12.735 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.229 -12.607 0.382 1.00 0.00 H new ATOM 0 HG SER A 57 9.523 -12.946 0.358 1.00 0.00 H new ATOM 541 N ARG A 58 7.944 -9.422 -0.523 1.00 0.00 N ATOM 542 CA ARG A 58 7.701 -8.696 -1.763 1.00 0.00 C ATOM 543 C ARG A 58 7.145 -9.625 -2.838 1.00 0.00 C ATOM 544 O ARG A 58 6.253 -9.249 -3.597 1.00 0.00 O ATOM 545 CB ARG A 58 8.993 -8.041 -2.257 1.00 0.00 C ATOM 546 CG ARG A 58 8.953 -7.648 -3.725 1.00 0.00 C ATOM 547 CD ARG A 58 10.224 -6.925 -4.142 1.00 0.00 C ATOM 548 NE ARG A 58 9.989 -5.998 -5.247 1.00 0.00 N ATOM 549 CZ ARG A 58 10.959 -5.492 -6.001 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.222 -5.822 -5.770 1.00 0.00 N ATOM 551 NH2 ARG A 58 10.665 -4.656 -6.988 1.00 0.00 N ATOM 0 H ARG A 58 8.921 -9.441 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 58 6.962 -7.920 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.193 -7.153 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.824 -8.728 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.822 -8.540 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.091 -7.006 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.626 -6.378 -3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.977 -7.656 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 58 9.028 -5.724 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.451 -6.465 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.965 -5.432 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.694 -4.401 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.410 -4.268 -7.567 1.00 0.00 H new ATOM 565 N ASN A 59 7.680 -10.840 -2.896 1.00 0.00 N ATOM 566 CA ASN A 59 7.238 -11.823 -3.878 1.00 0.00 C ATOM 567 C ASN A 59 5.849 -12.351 -3.534 1.00 0.00 C ATOM 568 O ASN A 59 5.243 -13.086 -4.313 1.00 0.00 O ATOM 569 CB ASN A 59 8.234 -12.984 -3.953 1.00 0.00 C ATOM 570 CG ASN A 59 7.576 -14.283 -4.374 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.020 -15.005 -3.407 1.00 0.00 O flip ATOM 572 ND2 ASN A 59 7.567 -14.634 -5.554 1.00 0.00 N flip ATOM 0 H ASN A 59 8.420 -11.167 -2.275 1.00 0.00 H new ATOM 0 HA ASN A 59 7.189 -11.331 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.026 -12.735 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.706 -13.118 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.006 -14.048 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.120 -15.511 -5.822 1.00 0.00 H new ATOM 579 N GLN A 60 5.352 -11.971 -2.361 1.00 0.00 N ATOM 580 CA GLN A 60 4.034 -12.405 -1.914 1.00 0.00 C ATOM 581 C GLN A 60 3.036 -11.254 -1.959 1.00 0.00 C ATOM 582 O GLN A 60 1.825 -11.470 -2.005 1.00 0.00 O ATOM 583 CB GLN A 60 4.116 -12.969 -0.494 1.00 0.00 C ATOM 584 CG GLN A 60 2.758 -13.193 0.151 1.00 0.00 C ATOM 585 CD GLN A 60 1.900 -14.176 -0.621 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.741 -15.378 -0.078 1.00 0.00 O flip ATOM 587 NE2 GLN A 60 1.386 -13.861 -1.694 1.00 0.00 N flip ATOM 0 H GLN A 60 5.842 -11.364 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 60 3.688 -13.187 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.658 -13.915 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.695 -12.285 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.899 -13.560 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.234 -12.240 0.226 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.534 -12.927 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.812 -14.534 -2.202 1.00 0.00 H new ATOM 596 N LEU A 61 3.552 -10.030 -1.945 1.00 0.00 N ATOM 597 CA LEU A 61 2.706 -8.842 -1.985 1.00 0.00 C ATOM 598 C LEU A 61 2.624 -8.278 -3.399 1.00 0.00 C ATOM 599 O LEU A 61 1.558 -7.859 -3.853 1.00 0.00 O ATOM 600 CB LEU A 61 3.243 -7.777 -1.028 1.00 0.00 C ATOM 601 CG LEU A 61 2.279 -6.642 -0.677 1.00 0.00 C ATOM 602 CD1 LEU A 61 1.016 -7.195 -0.036 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.952 -5.637 0.246 1.00 0.00 C ATOM 0 H LEU A 61 4.552 -9.834 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 61 1.703 -9.130 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.547 -8.268 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.141 -7.342 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 61 2.000 -6.129 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.342 -6.374 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.523 -7.875 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.276 -7.733 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.252 -4.837 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.260 -6.136 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.827 -5.217 -0.250 1.00 0.00 H new ATOM 615 N LEU A 62 3.757 -8.273 -4.093 1.00 0.00 N ATOM 616 CA LEU A 62 3.815 -7.762 -5.459 1.00 0.00 C ATOM 617 C LEU A 62 2.822 -8.494 -6.357 1.00 0.00 C ATOM 618 O LEU A 62 2.125 -7.892 -7.174 1.00 0.00 O ATOM 619 CB LEU A 62 5.230 -7.908 -6.020 1.00 0.00 C ATOM 620 CG LEU A 62 5.353 -7.894 -7.544 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.107 -6.495 -8.087 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.722 -8.401 -7.973 1.00 0.00 C ATOM 0 H LEU A 62 4.647 -8.617 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 62 3.547 -6.706 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.843 -7.101 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.651 -8.843 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 62 4.595 -8.560 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.199 -6.505 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.104 -6.168 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.841 -5.807 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.792 -8.384 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.496 -7.761 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.860 -9.422 -7.616 1.00 0.00 H new ATOM 634 N PRO A 63 2.753 -9.825 -6.201 1.00 0.00 N ATOM 635 CA PRO A 63 1.847 -10.668 -6.988 1.00 0.00 C ATOM 636 C PRO A 63 0.427 -10.113 -7.026 1.00 0.00 C ATOM 637 O PRO A 63 -0.240 -10.159 -8.060 1.00 0.00 O ATOM 638 CB PRO A 63 1.879 -12.008 -6.248 1.00 0.00 C ATOM 639 CG PRO A 63 3.200 -12.029 -5.560 1.00 0.00 C ATOM 640 CD PRO A 63 3.555 -10.609 -5.247 1.00 0.00 C ATOM 0 HA PRO A 63 2.154 -10.735 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.059 -12.085 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.779 -12.845 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.150 -12.624 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.959 -12.485 -6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.311 -10.354 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.622 -10.426 -5.377 1.00 0.00 H new ATOM 648 N VAL A 64 -0.030 -9.590 -5.892 1.00 0.00 N ATOM 649 CA VAL A 64 -1.371 -9.026 -5.797 1.00 0.00 C ATOM 650 C VAL A 64 -1.428 -7.637 -6.425 1.00 0.00 C ATOM 651 O VAL A 64 -2.468 -7.216 -6.933 1.00 0.00 O ATOM 652 CB VAL A 64 -1.839 -8.934 -4.332 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.288 -8.478 -4.262 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.657 -10.273 -3.631 1.00 0.00 C ATOM 0 H VAL A 64 0.509 -9.545 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.036 -9.696 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.226 -8.194 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.601 -8.419 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.383 -7.496 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.920 -9.192 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.992 -10.191 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.244 -11.035 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.604 -10.553 -3.650 1.00 0.00 H new ATOM 664 N LEU A 65 -0.305 -6.930 -6.388 1.00 0.00 N ATOM 665 CA LEU A 65 -0.226 -5.589 -6.954 1.00 0.00 C ATOM 666 C LEU A 65 -0.021 -5.645 -8.464 1.00 0.00 C ATOM 667 O LEU A 65 -0.284 -4.674 -9.173 1.00 0.00 O ATOM 668 CB LEU A 65 0.915 -4.804 -6.303 1.00 0.00 C ATOM 669 CG LEU A 65 0.875 -4.704 -4.777 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.251 -4.359 -4.229 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.151 -3.669 -4.338 1.00 0.00 C ATOM 0 H LEU A 65 0.564 -7.263 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.170 -5.082 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.859 -5.266 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.915 -3.794 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 65 0.579 -5.673 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.203 -4.292 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.961 -5.135 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.576 -3.402 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.166 -3.611 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.115 -2.695 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.138 -3.959 -4.700 1.00 0.00 H new ATOM 683 N GLU A 66 0.447 -6.792 -8.950 1.00 0.00 N ATOM 684 CA GLU A 66 0.684 -6.975 -10.377 1.00 0.00 C ATOM 685 C GLU A 66 -0.602 -7.372 -11.096 1.00 0.00 C ATOM 686 O GLU A 66 -0.920 -6.843 -12.161 1.00 0.00 O ATOM 687 CB GLU A 66 1.759 -8.040 -10.604 1.00 0.00 C ATOM 688 CG GLU A 66 3.159 -7.582 -10.229 1.00 0.00 C ATOM 689 CD GLU A 66 4.238 -8.486 -10.793 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.482 -9.559 -10.202 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.839 -8.119 -11.824 1.00 0.00 O ATOM 0 H GLU A 66 0.669 -7.606 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 66 1.030 -6.026 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.508 -8.927 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.751 -8.334 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.315 -6.566 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.248 -7.549 -9.143 1.00 0.00 H new ATOM 698 N LYS A 67 -1.337 -8.309 -10.506 1.00 0.00 N ATOM 699 CA LYS A 67 -2.589 -8.779 -11.089 1.00 0.00 C ATOM 700 C LYS A 67 -3.530 -7.611 -11.371 1.00 0.00 C ATOM 701 O LYS A 67 -4.296 -7.637 -12.335 1.00 0.00 O ATOM 702 CB LYS A 67 -3.268 -9.778 -10.150 1.00 0.00 C ATOM 703 CG LYS A 67 -3.416 -9.272 -8.726 1.00 0.00 C ATOM 704 CD LYS A 67 -4.369 -10.141 -7.921 1.00 0.00 C ATOM 705 CE LYS A 67 -3.755 -11.497 -7.607 1.00 0.00 C ATOM 706 NZ LYS A 67 -4.791 -12.559 -7.480 1.00 0.00 N ATOM 0 H LYS A 67 -1.088 -8.758 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.359 -9.274 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.255 -10.021 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.692 -10.703 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.440 -9.256 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.782 -8.245 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.629 -9.634 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.295 -10.280 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.052 -11.768 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.186 -11.432 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.332 -13.468 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.448 -12.313 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.317 -12.639 -8.373 1.00 0.00 H new ATOM 720 N CYS A 68 -3.465 -6.588 -10.526 1.00 0.00 N ATOM 721 CA CYS A 68 -4.311 -5.410 -10.685 1.00 0.00 C ATOM 722 C CYS A 68 -3.732 -4.463 -11.731 1.00 0.00 C ATOM 723 O CYS A 68 -4.365 -4.181 -12.747 1.00 0.00 O ATOM 724 CB CYS A 68 -4.465 -4.682 -9.349 1.00 0.00 C ATOM 725 SG CYS A 68 -5.646 -5.455 -8.219 1.00 0.00 S ATOM 0 H CYS A 68 -2.836 -6.550 -9.724 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.293 -5.741 -11.024 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.492 -4.631 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.780 -3.656 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.597 -4.613 -7.942 1.00 0.00 H new ATOM 731 N GLY A 69 -2.524 -3.971 -11.472 1.00 0.00 N ATOM 732 CA GLY A 69 -1.881 -3.059 -12.400 1.00 0.00 C ATOM 733 C GLY A 69 -0.385 -3.284 -12.491 1.00 0.00 C ATOM 734 O GLY A 69 0.149 -4.214 -11.884 1.00 0.00 O ATOM 0 H GLY A 69 -1.980 -4.188 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.324 -3.179 -13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.073 -2.033 -12.087 1.00 0.00 H new ATOM 738 N LEU A 70 0.295 -2.434 -13.252 1.00 0.00 N ATOM 739 CA LEU A 70 1.740 -2.545 -13.423 1.00 0.00 C ATOM 740 C LEU A 70 2.477 -1.886 -12.262 1.00 0.00 C ATOM 741 O LEU A 70 2.237 -0.723 -11.939 1.00 0.00 O ATOM 742 CB LEU A 70 2.168 -1.905 -14.744 1.00 0.00 C ATOM 743 CG LEU A 70 1.622 -2.556 -16.014 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.708 -1.594 -17.189 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.374 -3.843 -16.319 1.00 0.00 C ATOM 0 H LEU A 70 -0.131 -1.660 -13.761 1.00 0.00 H new ATOM 0 HA LEU A 70 1.999 -3.604 -13.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.860 -0.860 -14.735 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.257 -1.916 -14.794 1.00 0.00 H new ATOM 0 HG LEU A 70 0.573 -2.802 -15.850 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.314 -2.076 -18.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.123 -0.700 -16.971 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.748 -1.315 -17.355 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.972 -4.293 -17.227 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.432 -3.621 -16.462 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.258 -4.538 -15.487 1.00 0.00 H new ATOM 757 N VAL A 71 3.380 -2.637 -11.638 1.00 0.00 N ATOM 758 CA VAL A 71 4.156 -2.125 -10.515 1.00 0.00 C ATOM 759 C VAL A 71 5.503 -1.585 -10.979 1.00 0.00 C ATOM 760 O VAL A 71 6.402 -2.348 -11.331 1.00 0.00 O ATOM 761 CB VAL A 71 4.391 -3.215 -9.452 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.347 -2.716 -8.379 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.070 -3.654 -8.838 1.00 0.00 C ATOM 0 H VAL A 71 3.592 -3.602 -11.892 1.00 0.00 H new ATOM 0 HA VAL A 71 3.576 -1.315 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 71 4.845 -4.079 -9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.501 -3.499 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.302 -2.455 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.924 -1.836 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.255 -4.424 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.586 -2.799 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.422 -4.054 -9.618 1.00 0.00 H new ATOM 773 N ASP A 72 5.636 -0.263 -10.977 1.00 0.00 N ATOM 774 CA ASP A 72 6.875 0.381 -11.397 1.00 0.00 C ATOM 775 C ASP A 72 7.919 0.332 -10.285 1.00 0.00 C ATOM 776 O ASP A 72 9.070 -0.034 -10.515 1.00 0.00 O ATOM 777 CB ASP A 72 6.610 1.833 -11.800 1.00 0.00 C ATOM 778 CG ASP A 72 6.480 2.751 -10.600 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.507 3.013 -9.939 1.00 0.00 O ATOM 780 OD2 ASP A 72 5.352 3.210 -10.325 1.00 0.00 O ATOM 0 H ASP A 72 4.901 0.383 -10.689 1.00 0.00 H new ATOM 0 HA ASP A 72 7.263 -0.163 -12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.422 2.185 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.696 1.882 -12.392 1.00 0.00 H new ATOM 785 N ALA A 73 7.506 0.703 -9.077 1.00 0.00 N ATOM 786 CA ALA A 73 8.403 0.700 -7.928 1.00 0.00 C ATOM 787 C ALA A 73 7.646 0.386 -6.642 1.00 0.00 C ATOM 788 O ALA A 73 6.670 1.056 -6.304 1.00 0.00 O ATOM 789 CB ALA A 73 9.114 2.040 -7.811 1.00 0.00 C ATOM 0 H ALA A 73 6.556 1.009 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 73 9.147 -0.082 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.781 2.024 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.694 2.224 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.377 2.833 -7.685 1.00 0.00 H new ATOM 795 N LEU A 74 8.104 -0.637 -5.928 1.00 0.00 N ATOM 796 CA LEU A 74 7.471 -1.041 -4.678 1.00 0.00 C ATOM 797 C LEU A 74 8.431 -0.883 -3.503 1.00 0.00 C ATOM 798 O LEU A 74 9.384 -1.649 -3.360 1.00 0.00 O ATOM 799 CB LEU A 74 6.993 -2.492 -4.770 1.00 0.00 C ATOM 800 CG LEU A 74 6.749 -3.204 -3.439 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.423 -2.767 -2.837 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.780 -4.714 -3.629 1.00 0.00 C ATOM 0 H LEU A 74 8.911 -1.201 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 74 6.612 -0.392 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.067 -2.513 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.732 -3.062 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 74 7.546 -2.929 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.265 -3.284 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.439 -1.691 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.613 -3.013 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.605 -5.205 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.003 -5.008 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.754 -5.012 -4.016 1.00 0.00 H new ATOM 814 N LEU A 75 8.173 0.115 -2.665 1.00 0.00 N ATOM 815 CA LEU A 75 9.014 0.372 -1.501 1.00 0.00 C ATOM 816 C LEU A 75 8.529 -0.421 -0.292 1.00 0.00 C ATOM 817 O LEU A 75 7.377 -0.297 0.122 1.00 0.00 O ATOM 818 CB LEU A 75 9.023 1.867 -1.175 1.00 0.00 C ATOM 819 CG LEU A 75 9.833 2.280 0.055 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.321 2.270 -0.258 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.398 3.655 0.542 1.00 0.00 C ATOM 0 H LEU A 75 7.389 0.759 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 75 10.028 0.051 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.413 2.405 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.993 2.194 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 75 9.645 1.558 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.881 2.566 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.623 1.267 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.527 2.970 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.984 3.933 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.557 4.388 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.341 3.630 0.806 1.00 0.00 H new ATOM 833 N MET A 76 9.417 -1.234 0.271 1.00 0.00 N ATOM 834 CA MET A 76 9.079 -2.045 1.434 1.00 0.00 C ATOM 835 C MET A 76 10.053 -1.784 2.579 1.00 0.00 C ATOM 836 O MET A 76 11.130 -2.375 2.656 1.00 0.00 O ATOM 837 CB MET A 76 9.091 -3.530 1.069 1.00 0.00 C ATOM 838 CG MET A 76 7.962 -3.935 0.134 1.00 0.00 C ATOM 839 SD MET A 76 7.701 -5.719 0.090 1.00 0.00 S ATOM 840 CE MET A 76 6.738 -5.956 1.581 1.00 0.00 C ATOM 0 H MET A 76 10.375 -1.348 -0.059 1.00 0.00 H new ATOM 0 HA MET A 76 8.077 -1.767 1.761 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.045 -3.773 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.025 -4.121 1.983 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.041 -3.445 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.184 -3.579 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.314 -6.542 2.297 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.497 -4.986 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.816 -6.484 1.338 1.00 0.00 H new ATOM 850 N PRO A 77 9.667 -0.879 3.491 1.00 0.00 N ATOM 851 CA PRO A 77 10.492 -0.520 4.647 1.00 0.00 C ATOM 852 C PRO A 77 10.585 -1.651 5.667 1.00 0.00 C ATOM 853 O PRO A 77 9.586 -2.270 6.036 1.00 0.00 O ATOM 854 CB PRO A 77 9.757 0.682 5.248 1.00 0.00 C ATOM 855 CG PRO A 77 8.341 0.515 4.816 1.00 0.00 C ATOM 856 CD PRO A 77 8.396 -0.136 3.462 1.00 0.00 C ATOM 0 HA PRO A 77 11.523 -0.308 4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.841 0.694 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.173 1.622 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.787 -0.102 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.832 1.478 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.546 -0.800 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.381 0.602 2.660 1.00 0.00 H new ATOM 864 N PRO A 78 11.811 -1.927 6.135 1.00 0.00 N ATOM 865 CA PRO A 78 12.063 -2.985 7.119 1.00 0.00 C ATOM 866 C PRO A 78 11.508 -2.637 8.497 1.00 0.00 C ATOM 867 O PRO A 78 11.591 -1.492 8.938 1.00 0.00 O ATOM 868 CB PRO A 78 13.590 -3.072 7.163 1.00 0.00 C ATOM 869 CG PRO A 78 14.059 -1.724 6.735 1.00 0.00 C ATOM 870 CD PRO A 78 13.046 -1.230 5.739 1.00 0.00 C ATOM 0 HA PRO A 78 11.578 -3.922 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.944 -3.315 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.962 -3.850 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.131 -1.047 7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.051 -1.780 6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.930 -0.147 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.335 -1.474 4.717 1.00 0.00 H new ATOM 878 N ASN A 79 10.944 -3.634 9.170 1.00 0.00 N ATOM 879 CA ASN A 79 10.376 -3.434 10.499 1.00 0.00 C ATOM 880 C ASN A 79 9.201 -2.461 10.447 1.00 0.00 C ATOM 881 O ASN A 79 8.972 -1.698 11.386 1.00 0.00 O ATOM 882 CB ASN A 79 11.445 -2.910 11.459 1.00 0.00 C ATOM 883 CG ASN A 79 11.192 -3.334 12.892 1.00 0.00 C ATOM 884 OD1 ASN A 79 10.047 -3.404 13.339 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.265 -3.619 13.623 1.00 0.00 N ATOM 0 H ASN A 79 10.868 -4.588 8.818 1.00 0.00 H new ATOM 0 HA ASN A 79 10.013 -4.396 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.423 -3.273 11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.476 -1.822 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.158 -3.909 14.595 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.196 -3.548 13.212 1.00 0.00 H new ATOM 892 N LYS A 80 8.462 -2.494 9.344 1.00 0.00 N ATOM 893 CA LYS A 80 7.310 -1.617 9.169 1.00 0.00 C ATOM 894 C LYS A 80 6.110 -2.396 8.637 1.00 0.00 C ATOM 895 O LYS A 80 6.165 -3.019 7.578 1.00 0.00 O ATOM 896 CB LYS A 80 7.653 -0.473 8.213 1.00 0.00 C ATOM 897 CG LYS A 80 8.578 0.568 8.819 1.00 0.00 C ATOM 898 CD LYS A 80 7.871 1.389 9.885 1.00 0.00 C ATOM 899 CE LYS A 80 8.852 2.248 10.668 1.00 0.00 C ATOM 900 NZ LYS A 80 8.156 3.154 11.624 1.00 0.00 N ATOM 0 H LYS A 80 8.640 -3.119 8.557 1.00 0.00 H new ATOM 0 HA LYS A 80 7.050 -1.202 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.120 -0.885 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.731 0.013 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.447 0.075 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.947 1.229 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.121 2.026 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.343 0.723 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.542 1.605 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.449 2.841 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.859 3.722 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.516 3.785 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.606 2.588 12.301 1.00 0.00 H new ATOM 914 N PRO A 81 4.998 -2.356 9.387 1.00 0.00 N ATOM 915 CA PRO A 81 3.764 -3.051 9.009 1.00 0.00 C ATOM 916 C PRO A 81 3.088 -2.414 7.800 1.00 0.00 C ATOM 917 O PRO A 81 2.055 -2.892 7.331 1.00 0.00 O ATOM 918 CB PRO A 81 2.881 -2.907 10.251 1.00 0.00 C ATOM 919 CG PRO A 81 3.383 -1.681 10.933 1.00 0.00 C ATOM 920 CD PRO A 81 4.862 -1.631 10.661 1.00 0.00 C ATOM 0 HA PRO A 81 3.951 -4.085 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.830 -2.807 9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.962 -3.781 10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.886 -0.790 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.184 -1.721 12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.221 -0.605 10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.434 -2.107 11.458 1.00 0.00 H new ATOM 928 N TYR A 82 3.677 -1.334 7.298 1.00 0.00 N ATOM 929 CA TYR A 82 3.131 -0.630 6.144 1.00 0.00 C ATOM 930 C TYR A 82 4.180 -0.487 5.046 1.00 0.00 C ATOM 931 O TYR A 82 5.378 -0.425 5.322 1.00 0.00 O ATOM 932 CB TYR A 82 2.617 0.749 6.557 1.00 0.00 C ATOM 933 CG TYR A 82 3.699 1.667 7.078 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.572 2.309 6.206 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.852 1.894 8.440 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.563 3.148 6.676 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.839 2.733 8.920 1.00 0.00 C ATOM 938 CZ TYR A 82 5.692 3.357 8.033 1.00 0.00 C ATOM 939 OH TYR A 82 6.678 4.192 8.507 1.00 0.00 O ATOM 0 H TYR A 82 4.534 -0.927 7.673 1.00 0.00 H new ATOM 0 HA TYR A 82 2.300 -1.217 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.135 1.219 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.854 0.628 7.326 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.473 2.148 5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.187 1.405 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.233 3.638 5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.942 2.899 9.982 1.00 0.00 H new ATOM 0 HH TYR A 82 6.491 4.421 9.441 1.00 0.00 H new ATOM 949 N SER A 83 3.720 -0.434 3.801 1.00 0.00 N ATOM 950 CA SER A 83 4.618 -0.301 2.659 1.00 0.00 C ATOM 951 C SER A 83 4.070 0.705 1.652 1.00 0.00 C ATOM 952 O SER A 83 2.967 1.228 1.815 1.00 0.00 O ATOM 953 CB SER A 83 4.821 -1.658 1.982 1.00 0.00 C ATOM 954 OG SER A 83 5.616 -2.515 2.785 1.00 0.00 O ATOM 0 H SER A 83 2.731 -0.481 3.556 1.00 0.00 H new ATOM 0 HA SER A 83 5.579 0.062 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.853 -2.123 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.299 -1.516 1.012 1.00 0.00 H new ATOM 0 HG SER A 83 5.834 -2.064 3.627 1.00 0.00 H new ATOM 960 N PHE A 84 4.849 0.972 0.609 1.00 0.00 N ATOM 961 CA PHE A 84 4.444 1.917 -0.426 1.00 0.00 C ATOM 962 C PHE A 84 4.659 1.326 -1.816 1.00 0.00 C ATOM 963 O PHE A 84 5.737 0.823 -2.129 1.00 0.00 O ATOM 964 CB PHE A 84 5.228 3.224 -0.288 1.00 0.00 C ATOM 965 CG PHE A 84 5.186 3.806 1.095 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.118 4.592 1.499 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.215 3.568 1.993 1.00 0.00 C ATOM 968 CE1 PHE A 84 4.076 5.128 2.772 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.177 4.101 3.267 1.00 0.00 C ATOM 970 CZ PHE A 84 5.107 4.883 3.657 1.00 0.00 C ATOM 0 H PHE A 84 5.764 0.548 0.458 1.00 0.00 H new ATOM 0 HA PHE A 84 3.381 2.124 -0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.267 3.046 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.829 3.954 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.309 4.788 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.055 2.959 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.238 5.738 3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.984 3.906 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.077 5.302 4.652 1.00 0.00 H new ATOM 980 N ALA A 85 3.623 1.391 -2.646 1.00 0.00 N ATOM 981 CA ALA A 85 3.697 0.863 -4.003 1.00 0.00 C ATOM 982 C ALA A 85 3.494 1.969 -5.034 1.00 0.00 C ATOM 983 O ALA A 85 2.714 2.897 -4.817 1.00 0.00 O ATOM 984 CB ALA A 85 2.667 -0.239 -4.198 1.00 0.00 C ATOM 0 H ALA A 85 2.723 1.804 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 85 4.692 0.444 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.734 -0.624 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.860 -1.046 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.668 0.162 -4.027 1.00 0.00 H new ATOM 990 N ARG A 86 4.201 1.864 -6.154 1.00 0.00 N ATOM 991 CA ARG A 86 4.099 2.857 -7.217 1.00 0.00 C ATOM 992 C ARG A 86 3.692 2.203 -8.534 1.00 0.00 C ATOM 993 O ARG A 86 4.410 1.355 -9.066 1.00 0.00 O ATOM 994 CB ARG A 86 5.431 3.589 -7.389 1.00 0.00 C ATOM 995 CG ARG A 86 5.282 5.013 -7.901 1.00 0.00 C ATOM 996 CD ARG A 86 6.495 5.861 -7.550 1.00 0.00 C ATOM 997 NE ARG A 86 7.701 5.402 -8.233 1.00 0.00 N ATOM 998 CZ ARG A 86 8.829 6.101 -8.283 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.906 7.285 -7.689 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.884 5.616 -8.925 1.00 0.00 N ATOM 0 H ARG A 86 4.850 1.102 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 86 3.330 3.577 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.951 3.609 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.058 3.027 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.147 5.000 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.386 5.463 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.300 6.900 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.656 5.834 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 86 7.676 4.494 -8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.098 7.660 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.773 7.820 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.829 4.705 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.750 6.154 -8.963 1.00 0.00 H new ATOM 1014 N TYR A 87 2.538 2.603 -9.055 1.00 0.00 N ATOM 1015 CA TYR A 87 2.033 2.055 -10.308 1.00 0.00 C ATOM 1016 C TYR A 87 2.519 2.878 -11.497 1.00 0.00 C ATOM 1017 O TYR A 87 3.042 3.980 -11.332 1.00 0.00 O ATOM 1018 CB TYR A 87 0.504 2.013 -10.292 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.062 0.885 -9.460 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.306 1.052 -8.103 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.353 -0.348 -10.031 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.822 0.024 -7.338 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.871 -1.381 -9.275 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.104 -1.191 -7.929 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.620 -2.218 -7.172 1.00 0.00 O ATOM 0 H TYR A 87 1.934 3.306 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 87 2.416 1.040 -10.412 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.127 2.961 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.141 1.916 -11.315 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.089 2.002 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.171 -0.501 -11.084 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.004 0.170 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.092 -2.333 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.762 -3.004 -7.740 1.00 0.00 H new ATOM 1035 N ARG A 88 2.342 2.333 -12.697 1.00 0.00 N ATOM 1036 CA ARG A 88 2.761 3.015 -13.915 1.00 0.00 C ATOM 1037 C ARG A 88 1.758 4.096 -14.306 1.00 0.00 C ATOM 1038 O ARG A 88 2.138 5.186 -14.735 1.00 0.00 O ATOM 1039 CB ARG A 88 2.918 2.012 -15.059 1.00 0.00 C ATOM 1040 CG ARG A 88 3.165 2.662 -16.410 1.00 0.00 C ATOM 1041 CD ARG A 88 4.643 2.948 -16.628 1.00 0.00 C ATOM 1042 NE ARG A 88 4.876 3.723 -17.844 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.065 3.838 -18.425 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.123 3.231 -17.904 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.198 4.560 -19.530 1.00 0.00 N ATOM 0 H ARG A 88 1.911 1.421 -12.851 1.00 0.00 H new ATOM 0 HA ARG A 88 3.723 3.489 -13.722 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.746 1.341 -14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.019 1.399 -15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.799 2.009 -17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.600 3.591 -16.477 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.038 3.492 -15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.190 2.007 -16.687 1.00 0.00 H new ATOM 0 HE ARG A 88 4.083 4.202 -18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.025 2.674 -17.055 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.035 3.321 -18.352 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.387 5.028 -19.934 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.112 4.648 -19.975 1.00 0.00 H new ATOM 1059 N THR A 89 0.473 3.786 -14.157 1.00 0.00 N ATOM 1060 CA THR A 89 -0.585 4.729 -14.496 1.00 0.00 C ATOM 1061 C THR A 89 -1.559 4.902 -13.337 1.00 0.00 C ATOM 1062 O THR A 89 -1.810 3.965 -12.577 1.00 0.00 O ATOM 1063 CB THR A 89 -1.365 4.272 -15.743 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.875 2.948 -15.545 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.477 4.299 -16.977 1.00 0.00 C ATOM 0 H THR A 89 0.141 2.889 -13.804 1.00 0.00 H new ATOM 0 HA THR A 89 -0.103 5.683 -14.707 1.00 0.00 H new ATOM 0 HB THR A 89 -2.195 4.961 -15.897 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.371 2.666 -16.342 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.050 3.972 -17.845 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.115 5.314 -17.142 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.371 3.630 -16.830 1.00 0.00 H new ATOM 1073 N THR A 90 -2.106 6.106 -13.204 1.00 0.00 N ATOM 1074 CA THR A 90 -3.053 6.402 -12.137 1.00 0.00 C ATOM 1075 C THR A 90 -4.185 5.382 -12.106 1.00 0.00 C ATOM 1076 O THR A 90 -4.415 4.727 -11.091 1.00 0.00 O ATOM 1077 CB THR A 90 -3.652 7.813 -12.292 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.624 8.745 -12.648 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.325 8.260 -11.004 1.00 0.00 C ATOM 0 H THR A 90 -1.909 6.893 -13.823 1.00 0.00 H new ATOM 0 HA THR A 90 -2.498 6.352 -11.200 1.00 0.00 H new ATOM 0 HB THR A 90 -4.402 7.780 -13.082 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.013 9.639 -12.746 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.740 9.259 -11.138 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.126 7.565 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.592 8.277 -10.197 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.889 5.254 -13.227 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.998 4.312 -13.327 1.00 0.00 C ATOM 1089 C GLU A 91 -5.707 3.041 -12.536 1.00 0.00 C ATOM 1090 O GLU A 91 -6.454 2.678 -11.628 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.269 3.964 -14.792 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.408 5.179 -15.693 1.00 0.00 C ATOM 1093 CD GLU A 91 -7.159 4.874 -16.974 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -7.139 3.704 -17.410 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.769 5.806 -17.540 1.00 0.00 O ATOM 0 H GLU A 91 -4.711 5.790 -14.077 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.883 4.787 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.458 3.338 -15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.182 3.372 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.927 5.970 -15.152 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.417 5.559 -15.939 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.614 2.369 -12.888 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.224 1.138 -12.211 1.00 0.00 C ATOM 1104 C GLU A 92 -4.272 1.312 -10.696 1.00 0.00 C ATOM 1105 O GLU A 92 -5.014 0.614 -10.004 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.818 0.716 -12.642 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.761 0.133 -14.045 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.961 -0.737 -14.364 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.185 -1.729 -13.639 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.676 -0.426 -15.339 1.00 0.00 O ATOM 0 H GLU A 92 -3.984 2.657 -13.637 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.932 0.359 -12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.156 1.580 -12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.436 -0.021 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.703 0.945 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.851 -0.457 -14.153 1.00 0.00 H new ATOM 1117 N SER A 93 -3.475 2.245 -10.187 1.00 0.00 N ATOM 1118 CA SER A 93 -3.422 2.508 -8.753 1.00 0.00 C ATOM 1119 C SER A 93 -4.818 2.448 -8.139 1.00 0.00 C ATOM 1120 O SER A 93 -5.075 1.662 -7.227 1.00 0.00 O ATOM 1121 CB SER A 93 -2.793 3.876 -8.487 1.00 0.00 C ATOM 1122 OG SER A 93 -3.196 4.387 -7.228 1.00 0.00 O ATOM 0 H SER A 93 -2.856 2.832 -10.746 1.00 0.00 H new ATOM 0 HA SER A 93 -2.806 1.738 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.707 3.792 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.082 4.572 -9.275 1.00 0.00 H new ATOM 0 HG SER A 93 -3.213 5.366 -7.263 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.716 3.286 -8.645 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.087 3.331 -8.150 1.00 0.00 C ATOM 1130 C LYS A 94 -7.710 1.939 -8.147 1.00 0.00 C ATOM 1131 O LYS A 94 -8.257 1.495 -7.138 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.931 4.277 -9.006 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.690 5.746 -8.706 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.913 6.610 -9.935 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.393 6.744 -10.262 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.650 7.845 -11.232 1.00 0.00 N ATOM 0 H LYS A 94 -5.519 3.944 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.064 3.702 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.717 4.090 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.986 4.051 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.357 6.069 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.671 5.882 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.485 7.599 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.389 6.175 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.760 5.804 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.952 6.930 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.670 7.903 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.323 8.746 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.137 7.655 -12.117 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.622 1.253 -9.283 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.177 -0.088 -9.411 1.00 0.00 C ATOM 1152 C ARG A 95 -7.751 -0.967 -8.239 1.00 0.00 C ATOM 1153 O ARG A 95 -8.567 -1.678 -7.655 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.731 -0.724 -10.729 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.988 -2.221 -10.800 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.188 -2.870 -11.918 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.924 -2.885 -13.180 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.973 -3.668 -13.409 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.407 -4.494 -12.467 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.590 -3.625 -14.584 1.00 0.00 N ATOM 0 H ARG A 95 -7.171 1.605 -10.128 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.264 -0.006 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.251 -0.235 -11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.666 -0.540 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.725 -2.682 -9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.051 -2.402 -10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.250 -2.332 -12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.932 -3.891 -11.635 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.616 -2.261 -13.926 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.935 -4.530 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.212 -5.094 -12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.259 -2.991 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.395 -4.226 -14.760 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.466 -0.912 -7.901 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.932 -1.701 -6.798 1.00 0.00 C ATOM 1176 C ALA A 96 -6.350 -1.118 -5.453 1.00 0.00 C ATOM 1177 O ALA A 96 -6.522 -1.848 -4.476 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.415 -1.782 -6.893 1.00 0.00 C ATOM 0 H ALA A 96 -5.776 -0.329 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.344 -2.708 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.030 -2.374 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.134 -2.252 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.994 -0.778 -6.849 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.509 0.200 -5.409 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.903 0.881 -4.181 1.00 0.00 C ATOM 1186 C TYR A 97 -8.328 0.508 -3.785 1.00 0.00 C ATOM 1187 O TYR A 97 -8.635 0.348 -2.602 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.791 2.397 -4.356 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.587 3.183 -3.340 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.117 3.360 -2.044 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.810 3.752 -3.676 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.842 4.078 -1.113 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.541 4.472 -2.751 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.053 4.632 -1.472 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.777 5.349 -0.547 1.00 0.00 O ATOM 0 H TYR A 97 -6.371 0.818 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.229 0.562 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.742 2.686 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.130 2.665 -5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.168 2.929 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.195 3.629 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.463 4.205 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.490 4.907 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.605 5.673 -0.959 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.195 0.369 -4.782 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.589 0.012 -4.539 1.00 0.00 C ATOM 1207 C VAL A 98 -10.775 -1.501 -4.530 1.00 0.00 C ATOM 1208 O VAL A 98 -11.743 -2.016 -3.970 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.519 0.627 -5.602 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.974 0.495 -5.179 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.157 2.083 -5.848 1.00 0.00 C ATOM 0 H VAL A 98 -8.958 0.498 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.853 0.413 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.386 0.081 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.616 0.935 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.224 -0.559 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.126 1.015 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.824 2.501 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.260 2.645 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.127 2.148 -6.199 1.00 0.00 H new ATOM 1221 N THR A 99 -9.840 -2.210 -5.156 1.00 0.00 N ATOM 1222 CA THR A 99 -9.902 -3.665 -5.221 1.00 0.00 C ATOM 1223 C THR A 99 -9.119 -4.300 -4.076 1.00 0.00 C ATOM 1224 O THR A 99 -9.691 -4.976 -3.221 1.00 0.00 O ATOM 1225 CB THR A 99 -9.349 -4.192 -6.559 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.172 -3.738 -7.641 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.293 -5.711 -6.561 1.00 0.00 C ATOM 0 H THR A 99 -9.032 -1.800 -5.625 1.00 0.00 H new ATOM 0 HA THR A 99 -10.953 -3.941 -5.137 1.00 0.00 H new ATOM 0 HB THR A 99 -8.337 -3.808 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.925 -2.819 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.899 -6.059 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.644 -6.052 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.296 -6.112 -6.414 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.810 -4.078 -4.067 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.948 -4.628 -3.026 1.00 0.00 C ATOM 1237 C LEU A 100 -7.440 -4.220 -1.641 1.00 0.00 C ATOM 1238 O LEU A 100 -7.648 -5.067 -0.772 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.507 -4.157 -3.227 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.926 -4.350 -4.629 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.449 -3.992 -4.650 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.137 -5.781 -5.100 1.00 0.00 C ATOM 0 H LEU A 100 -7.322 -3.521 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.981 -5.715 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.454 -3.098 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.871 -4.685 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.449 -3.682 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.054 -4.136 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.323 -2.950 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.909 -4.633 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.718 -5.901 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.641 -6.467 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.204 -6.002 -5.125 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.625 -2.920 -1.443 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.094 -2.401 -0.163 1.00 0.00 C ATOM 1256 C ASN A 101 -9.317 -3.173 0.322 1.00 0.00 C ATOM 1257 O ASN A 101 -10.334 -3.240 -0.366 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.430 -0.913 -0.286 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.629 -0.252 1.064 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.059 -0.893 2.025 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.315 1.036 1.145 1.00 0.00 N ATOM 0 H ASN A 101 -7.458 -2.206 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.295 -2.527 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.628 -0.405 -0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.335 -0.796 -0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.427 1.534 2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.962 1.528 0.324 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.209 -3.754 1.513 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.313 -4.514 2.070 1.00 0.00 C ATOM 1270 C GLY A 102 -10.222 -5.991 1.746 1.00 0.00 C ATOM 1271 O GLY A 102 -10.776 -6.826 2.462 1.00 0.00 O ATOM 0 H GLY A 102 -8.377 -3.712 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.331 -4.383 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.253 -4.118 1.686 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.524 -6.316 0.664 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.363 -7.704 0.246 1.00 0.00 C ATOM 1277 C LYS A 103 -8.481 -8.469 1.228 1.00 0.00 C ATOM 1278 O LYS A 103 -7.647 -7.881 1.915 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.754 -7.767 -1.157 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.513 -9.183 -1.652 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.897 -9.191 -3.041 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.340 -10.561 -3.397 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.397 -10.819 -4.862 1.00 0.00 N ATOM 0 H LYS A 103 -9.060 -5.637 0.060 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.348 -8.170 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.416 -7.255 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.809 -7.225 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.854 -9.705 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.456 -9.729 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.649 -8.901 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.100 -8.449 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.307 -10.633 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.904 -11.331 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.008 -11.762 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.385 -10.775 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.837 -10.100 -5.363 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.672 -9.783 1.287 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.894 -10.628 2.186 1.00 0.00 C ATOM 1299 C GLU A 104 -6.766 -11.330 1.433 1.00 0.00 C ATOM 1300 O GLU A 104 -6.944 -11.770 0.297 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.796 -11.665 2.857 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.404 -11.188 4.165 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.546 -12.069 4.633 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.323 -12.541 3.777 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.661 -12.288 5.858 1.00 0.00 O ATOM 0 H GLU A 104 -9.358 -10.285 0.724 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.455 -9.990 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.598 -11.935 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.218 -12.570 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.631 -11.163 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.765 -10.167 4.043 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.606 -11.428 2.074 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.451 -12.075 1.467 1.00 0.00 C ATOM 1314 C VAL A 105 -3.727 -12.965 2.472 1.00 0.00 C ATOM 1315 O VAL A 105 -3.572 -12.603 3.638 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.457 -11.041 0.905 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.996 -10.423 -0.376 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.166 -9.966 1.943 1.00 0.00 C ATOM 0 H VAL A 105 -5.442 -11.067 3.014 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.828 -12.688 0.648 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.523 -11.551 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.280 -9.695 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.151 -11.205 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.944 -9.926 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.462 -9.243 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.093 -9.458 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.735 -10.426 2.832 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.285 -14.131 2.012 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.576 -15.072 2.871 1.00 0.00 C ATOM 1330 C VAL A 106 -1.115 -14.670 3.038 1.00 0.00 C ATOM 1331 O VAL A 106 -0.316 -14.793 2.109 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.642 -16.504 2.308 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.574 -17.379 2.946 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.026 -17.097 2.523 1.00 0.00 C ATOM 0 H VAL A 106 -3.405 -14.447 1.050 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.069 -15.048 3.843 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.451 -16.463 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.636 -18.387 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.589 -16.962 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.730 -17.416 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.055 -18.109 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.248 -17.125 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.768 -16.482 2.014 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.772 -14.189 4.228 1.00 0.00 N ATOM 1345 CA ASP A 107 0.595 -13.771 4.518 1.00 0.00 C ATOM 1346 C ASP A 107 1.517 -14.979 4.653 1.00 0.00 C ATOM 1347 O ASP A 107 1.068 -16.124 4.591 1.00 0.00 O ATOM 1348 CB ASP A 107 0.633 -12.938 5.800 1.00 0.00 C ATOM 1349 CG ASP A 107 0.416 -11.461 5.538 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.095 -11.120 4.451 1.00 0.00 O ATOM 1351 OD2 ASP A 107 0.757 -10.645 6.421 1.00 0.00 O ATOM 0 H ASP A 107 -1.421 -14.079 5.007 1.00 0.00 H new ATOM 0 HA ASP A 107 0.947 -13.161 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.133 -13.298 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.595 -13.079 6.293 1.00 0.00 H new ATOM 1356 N ASP A 108 2.806 -14.715 4.837 1.00 0.00 N ATOM 1357 CA ASP A 108 3.791 -15.781 4.981 1.00 0.00 C ATOM 1358 C ASP A 108 3.370 -16.768 6.065 1.00 0.00 C ATOM 1359 O ASP A 108 3.656 -17.963 5.976 1.00 0.00 O ATOM 1360 CB ASP A 108 5.163 -15.193 5.314 1.00 0.00 C ATOM 1361 CG ASP A 108 6.282 -16.202 5.140 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.124 -17.349 5.605 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.317 -15.843 4.539 1.00 0.00 O ATOM 0 H ASP A 108 3.193 -13.773 4.890 1.00 0.00 H new ATOM 0 HA ASP A 108 3.853 -16.316 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.351 -14.332 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.160 -14.831 6.342 1.00 0.00 H new ATOM 1368 N LEU A 109 2.688 -16.261 7.087 1.00 0.00 N ATOM 1369 CA LEU A 109 2.228 -17.099 8.189 1.00 0.00 C ATOM 1370 C LEU A 109 1.190 -18.108 7.710 1.00 0.00 C ATOM 1371 O LEU A 109 1.068 -19.199 8.264 1.00 0.00 O ATOM 1372 CB LEU A 109 1.637 -16.231 9.302 1.00 0.00 C ATOM 1373 CG LEU A 109 2.528 -15.099 9.816 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.787 -14.261 10.845 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.814 -15.659 10.407 1.00 0.00 C ATOM 0 H LEU A 109 2.442 -15.275 7.175 1.00 0.00 H new ATOM 0 HA LEU A 109 3.086 -17.647 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.705 -15.797 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.383 -16.877 10.143 1.00 0.00 H new ATOM 0 HG LEU A 109 2.788 -14.457 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.437 -13.461 11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.896 -13.830 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.496 -14.891 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.436 -14.840 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.574 -16.324 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.355 -16.215 9.641 1.00 0.00 H new ATOM 1387 N GLY A 110 0.444 -17.734 6.674 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.574 -18.619 6.137 1.00 0.00 C ATOM 1389 C GLY A 110 -1.973 -18.211 6.548 1.00 0.00 C ATOM 1390 O GLY A 110 -2.925 -18.971 6.374 1.00 0.00 O ATOM 0 H GLY A 110 0.526 -16.836 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.506 -18.627 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.382 -19.637 6.476 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.100 -17.007 7.099 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.395 -16.501 7.538 1.00 0.00 C ATOM 1396 C GLN A 111 -3.848 -15.335 6.667 1.00 0.00 C ATOM 1397 O GLN A 111 -3.041 -14.496 6.264 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.322 -16.061 9.002 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.931 -17.178 9.955 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.459 -16.961 11.359 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.695 -16.707 12.290 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.774 -17.058 11.519 1.00 0.00 N ATOM 0 H GLN A 111 -1.322 -16.365 7.252 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.124 -17.306 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.601 -15.249 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.291 -15.662 9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.309 -18.126 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.844 -17.258 9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.371 -17.270 10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -5.187 -16.920 12.441 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.144 -15.288 6.377 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.707 -14.225 5.553 1.00 0.00 C ATOM 1413 C LYS A 112 -5.798 -12.920 6.337 1.00 0.00 C ATOM 1414 O LYS A 112 -6.423 -12.863 7.397 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.094 -14.625 5.046 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.081 -15.842 4.137 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.212 -15.794 3.123 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.785 -15.086 1.847 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.929 -14.885 0.915 1.00 0.00 N ATOM 0 H LYS A 112 -5.825 -15.975 6.701 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.046 -14.071 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.740 -14.827 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.531 -13.784 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.126 -15.897 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.168 -16.747 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.534 -16.808 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.070 -15.280 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.346 -14.120 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.010 -15.669 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.597 -14.399 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.332 -15.808 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.658 -14.307 1.380 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.173 -11.872 5.809 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.186 -10.568 6.458 1.00 0.00 C ATOM 1435 C ILE A 113 -5.801 -9.508 5.550 1.00 0.00 C ATOM 1436 O ILE A 113 -5.564 -9.497 4.342 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.767 -10.124 6.860 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.995 -11.297 7.468 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.834 -8.961 7.839 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.602 -10.929 7.928 1.00 0.00 C ATOM 0 H ILE A 113 -4.651 -11.902 4.933 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.794 -10.670 7.357 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.239 -9.791 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.556 -11.691 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.926 -12.097 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.824 -8.658 8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.350 -8.122 7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.376 -9.269 8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.113 -11.808 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.024 -10.563 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.664 -10.150 8.688 1.00 0.00 H new ATOM 1452 N THR A 114 -6.591 -8.617 6.140 1.00 0.00 N ATOM 1453 CA THR A 114 -7.239 -7.552 5.385 1.00 0.00 C ATOM 1454 C THR A 114 -6.366 -6.302 5.336 1.00 0.00 C ATOM 1455 O THR A 114 -6.261 -5.566 6.318 1.00 0.00 O ATOM 1456 CB THR A 114 -8.606 -7.184 5.993 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.363 -8.373 6.250 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.385 -6.272 5.058 1.00 0.00 C ATOM 0 H THR A 114 -6.798 -8.612 7.139 1.00 0.00 H new ATOM 0 HA THR A 114 -7.388 -7.928 4.373 1.00 0.00 H new ATOM 0 HB THR A 114 -8.433 -6.655 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.230 -8.131 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.347 -6.025 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.819 -5.356 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.549 -6.780 4.107 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.741 -6.068 4.187 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.876 -4.907 4.010 1.00 0.00 C ATOM 1468 C LEU A 115 -5.678 -3.699 3.537 1.00 0.00 C ATOM 1469 O LEU A 115 -6.680 -3.841 2.836 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.767 -5.221 3.005 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.122 -6.602 3.127 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.151 -6.842 1.981 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.413 -6.743 4.466 1.00 0.00 C ATOM 0 H LEU A 115 -5.817 -6.667 3.365 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.427 -4.668 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.176 -5.121 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.987 -4.467 3.108 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.909 -7.354 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.702 -7.830 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.686 -6.785 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.368 -6.084 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.960 -7.732 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.637 -5.982 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.133 -6.616 5.274 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.230 -2.509 3.926 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.905 -1.276 3.542 1.00 0.00 C ATOM 1487 C TYR A 116 -4.969 -0.362 2.759 1.00 0.00 C ATOM 1488 O TYR A 116 -3.938 0.078 3.272 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.428 -0.549 4.783 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.725 -1.113 5.314 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -8.950 -0.634 4.864 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -7.728 -2.123 6.267 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -10.139 -1.146 5.348 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -8.912 -2.643 6.755 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.114 -2.150 6.292 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.295 -2.663 6.777 1.00 0.00 O ATOM 0 H TYR A 116 -4.402 -2.374 4.507 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.746 -1.537 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.673 -0.598 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.571 0.505 4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -8.973 0.152 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -6.788 -2.509 6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -11.082 -0.762 4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -8.896 -3.430 7.494 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.102 -3.364 7.434 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.333 -0.078 1.513 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.526 0.785 0.658 1.00 0.00 C ATOM 1508 C LEU A 117 -5.067 2.211 0.658 1.00 0.00 C ATOM 1509 O LEU A 117 -6.253 2.436 0.424 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.500 0.238 -0.771 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.568 -0.949 -1.018 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.180 -2.231 -0.475 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.263 -1.088 -2.503 1.00 0.00 C ATOM 0 H LEU A 117 -6.182 -0.433 1.073 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.511 0.801 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.513 -0.058 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.212 1.046 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.632 -0.767 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.502 -3.064 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.346 -2.129 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.131 -2.419 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.599 -1.938 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.191 -1.247 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.781 -0.179 -2.862 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.187 3.172 0.920 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.575 4.577 0.951 1.00 0.00 C ATOM 1527 C ASN A 118 -3.807 5.376 -0.099 1.00 0.00 C ATOM 1528 O ASN A 118 -2.628 5.123 -0.346 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.327 5.167 2.340 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.519 4.998 3.261 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.426 4.347 4.302 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.648 5.584 2.881 1.00 0.00 N ATOM 0 H ASN A 118 -3.200 3.003 1.114 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.639 4.639 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.456 4.686 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.092 6.227 2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.484 5.504 3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.679 6.114 2.010 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.483 6.342 -0.711 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.865 7.178 -1.733 1.00 0.00 C ATOM 1541 C PHE A 119 -2.828 8.112 -1.117 1.00 0.00 C ATOM 1542 O PHE A 119 -3.158 8.979 -0.309 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.931 7.994 -2.467 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.769 7.177 -3.408 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.175 6.368 -4.362 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.152 7.219 -3.338 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.944 5.614 -5.229 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.927 6.467 -4.202 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.322 5.665 -5.149 1.00 0.00 C ATOM 0 H PHE A 119 -5.459 6.565 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.362 6.525 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.582 8.470 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.444 8.793 -3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.098 6.325 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.630 7.846 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.468 4.986 -5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -9.004 6.507 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.925 5.078 -5.826 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.569 7.928 -1.506 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.482 8.753 -0.994 1.00 0.00 C ATOM 1561 C VAL A 120 0.179 9.549 -2.115 1.00 0.00 C ATOM 1562 O VAL A 120 0.209 9.111 -3.263 1.00 0.00 O ATOM 1563 CB VAL A 120 0.586 7.898 -0.287 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.029 7.123 0.869 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.255 6.956 -1.276 1.00 0.00 C ATOM 0 H VAL A 120 -1.278 7.214 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.920 9.443 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 120 1.349 8.563 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.741 6.525 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.456 7.821 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.813 6.467 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.007 6.360 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.506 6.296 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.732 7.536 -2.065 1.00 0.00 H new ATOM 1575 N GLU A 121 0.707 10.719 -1.770 1.00 0.00 N ATOM 1576 CA GLU A 121 1.367 11.575 -2.747 1.00 0.00 C ATOM 1577 C GLU A 121 2.856 11.707 -2.437 1.00 0.00 C ATOM 1578 O GLU A 121 3.689 11.755 -3.343 1.00 0.00 O ATOM 1579 CB GLU A 121 0.716 12.959 -2.770 1.00 0.00 C ATOM 1580 CG GLU A 121 0.671 13.633 -1.409 1.00 0.00 C ATOM 1581 CD GLU A 121 0.295 15.100 -1.496 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.678 15.751 -2.490 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.380 15.596 -0.570 1.00 0.00 O ATOM 0 H GLU A 121 0.690 11.095 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 121 1.256 11.114 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.263 13.597 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.300 12.867 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.048 13.115 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.645 13.539 -0.929 1.00 0.00 H new ATOM 1590 N LYS A 122 3.183 11.767 -1.151 1.00 0.00 N ATOM 1591 CA LYS A 122 4.570 11.893 -0.719 1.00 0.00 C ATOM 1592 C LYS A 122 5.027 10.637 0.015 1.00 0.00 C ATOM 1593 O LYS A 122 4.445 10.251 1.029 1.00 0.00 O ATOM 1594 CB LYS A 122 4.734 13.114 0.188 1.00 0.00 C ATOM 1595 CG LYS A 122 4.488 14.435 -0.521 1.00 0.00 C ATOM 1596 CD LYS A 122 4.107 15.532 0.460 1.00 0.00 C ATOM 1597 CE LYS A 122 5.336 16.223 1.030 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.073 16.991 -0.011 1.00 0.00 N ATOM 0 H LYS A 122 2.506 11.730 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 122 5.191 12.021 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.044 13.028 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.742 13.116 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.385 14.729 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.693 14.312 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.475 16.266 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.518 15.106 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.035 16.896 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.000 15.479 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.640 17.735 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.700 16.349 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.394 17.426 -0.668 1.00 0.00 H new ATOM 1612 N VAL A 123 6.075 10.003 -0.502 1.00 0.00 N ATOM 1613 CA VAL A 123 6.612 8.791 0.106 1.00 0.00 C ATOM 1614 C VAL A 123 8.136 8.783 0.061 1.00 0.00 C ATOM 1615 O VAL A 123 8.737 8.985 -0.995 1.00 0.00 O ATOM 1616 CB VAL A 123 6.083 7.528 -0.597 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.709 6.279 0.004 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.565 7.467 -0.509 1.00 0.00 C ATOM 0 H VAL A 123 6.569 10.309 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 123 6.281 8.785 1.145 1.00 0.00 H new ATOM 0 HB VAL A 123 6.363 7.575 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.322 5.397 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.792 6.322 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.462 6.222 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.207 6.568 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.262 7.443 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.137 8.346 -0.991 1.00 0.00 H new ATOM 1628 N GLN A 124 8.756 8.548 1.213 1.00 0.00 N ATOM 1629 CA GLN A 124 10.211 8.513 1.304 1.00 0.00 C ATOM 1630 C GLN A 124 10.782 7.376 0.464 1.00 0.00 C ATOM 1631 O GLN A 124 11.135 6.320 0.989 1.00 0.00 O ATOM 1632 CB GLN A 124 10.647 8.355 2.762 1.00 0.00 C ATOM 1633 CG GLN A 124 9.938 7.226 3.491 1.00 0.00 C ATOM 1634 CD GLN A 124 10.636 6.831 4.777 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.016 6.770 5.839 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.933 6.562 4.689 1.00 0.00 N ATOM 0 H GLN A 124 8.274 8.379 2.096 1.00 0.00 H new ATOM 0 HA GLN A 124 10.597 9.455 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.722 8.178 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.462 9.290 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.916 7.530 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.876 6.358 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.407 6.625 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.456 6.292 5.522 1.00 0.00 H new ATOM 1645 N TRP A 125 10.870 7.599 -0.842 1.00 0.00 N ATOM 1646 CA TRP A 125 11.398 6.593 -1.756 1.00 0.00 C ATOM 1647 C TRP A 125 12.910 6.459 -1.603 1.00 0.00 C ATOM 1648 O TRP A 125 13.618 7.455 -1.457 1.00 0.00 O ATOM 1649 CB TRP A 125 11.049 6.952 -3.201 1.00 0.00 C ATOM 1650 CG TRP A 125 9.576 6.954 -3.474 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.785 8.044 -3.700 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.716 5.810 -3.544 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.486 7.648 -3.909 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.418 6.283 -3.820 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.918 4.434 -3.406 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.328 5.426 -3.955 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.836 3.587 -3.541 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.554 4.084 -3.814 1.00 0.00 C ATOM 0 H TRP A 125 10.582 8.468 -1.292 1.00 0.00 H new ATOM 0 HA TRP A 125 10.940 5.636 -1.507 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.455 7.937 -3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.534 6.243 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.130 9.067 -3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.700 8.270 -4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.902 4.041 -3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.339 5.808 -4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.980 2.522 -3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.729 3.394 -3.915 1.00 0.00 H new