USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 612 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 91 THR OG1 : rot 180:sc= 0.282 USER MOD Set 1.2: A 96 THR OG1 : rot 88:sc= 0.299 USER MOD Set 2.1: A 41 ASN : amide:sc= -1.53 K(o=-3.8,f=-5.5) USER MOD Set 2.2: A 43 THR OG1 : rot 91:sc= -2.28! USER MOD Set 3.1: A 35 TYR OH : rot 83:sc= -12.6! USER MOD Set 3.2: A 39 THR OG1 : rot -159:sc= 0.262 USER MOD Set 3.3: A 69 THR OG1 : rot -69:sc= 0.774 USER MOD Set 4.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 68 SER OG : rot 180:sc= -1.79! USER MOD Single : A 8 THR OG1 : rot 10:sc= 0.713 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -51:sc= 0.939 USER MOD Single : A 25 THR OG1 : rot -31:sc= 0.539 USER MOD Single : A 27 GLN : amide:sc=-0.00805 X(o=-0.008,f=0) USER MOD Single : A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 SER OG : rot 160:sc= -5.43! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 71:sc= -0.0671! USER MOD Single : A 62 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : A 70 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.15) USER MOD Single : A 71 SER OG : rot 73:sc= 0.00705 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -2.75! C(o=-2.8!,f=-9.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 86 TYR OH : rot 71:sc= 0.925! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 92 TYR OH : rot 170:sc= -1.28 USER MOD Single : A 93 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.42) USER MOD Single : A 95 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.092) USER MOD Single : A 100 SER OG : rot -108:sc= 0.602 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.442 8.942 -4.816 1.00 0.00 N ATOM 113 CA THR A 8 1.127 7.842 -5.713 1.00 0.00 C ATOM 114 C THR A 8 1.618 6.518 -5.124 1.00 0.00 C ATOM 115 O THR A 8 2.781 6.397 -4.742 1.00 0.00 O ATOM 116 CB THR A 8 1.733 8.160 -7.082 1.00 0.00 C ATOM 117 OG1 THR A 8 2.405 9.399 -6.884 1.00 0.00 O ATOM 118 CG2 THR A 8 0.667 8.477 -8.133 1.00 0.00 C ATOM 0 HA THR A 8 0.050 7.728 -5.837 1.00 0.00 H new ATOM 0 HB THR A 8 2.335 7.316 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.424 9.612 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.149 8.695 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.005 7.619 -8.250 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.087 9.342 -7.813 1.00 0.00 H new ATOM 126 N VAL A 9 0.706 5.559 -5.068 1.00 0.00 N ATOM 127 CA VAL A 9 1.032 4.248 -4.533 1.00 0.00 C ATOM 128 C VAL A 9 0.673 3.176 -5.564 1.00 0.00 C ATOM 129 O VAL A 9 -0.300 3.320 -6.303 1.00 0.00 O ATOM 130 CB VAL A 9 0.330 4.044 -3.188 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.134 3.644 -3.391 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.067 3.008 -2.337 1.00 0.00 C ATOM 0 H VAL A 9 -0.258 5.663 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 9 2.102 4.168 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 9 0.349 4.993 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.611 3.505 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.653 4.429 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.182 2.713 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.548 2.882 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.093 2.055 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.086 3.348 -2.151 1.00 0.00 H new ATOM 142 N LYS A 10 1.480 2.125 -5.582 1.00 0.00 N ATOM 143 CA LYS A 10 1.259 1.029 -6.512 1.00 0.00 C ATOM 144 C LYS A 10 1.442 -0.301 -5.777 1.00 0.00 C ATOM 145 O LYS A 10 2.143 -0.367 -4.769 1.00 0.00 O ATOM 146 CB LYS A 10 2.158 1.180 -7.741 1.00 0.00 C ATOM 147 CG LYS A 10 1.487 2.050 -8.807 1.00 0.00 C ATOM 148 CD LYS A 10 0.126 1.474 -9.206 1.00 0.00 C ATOM 149 CE LYS A 10 -0.247 1.889 -10.632 1.00 0.00 C ATOM 150 NZ LYS A 10 -1.535 1.278 -11.027 1.00 0.00 N ATOM 0 H LYS A 10 2.287 2.009 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 10 0.236 1.049 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.109 1.626 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.381 0.197 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.360 3.064 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.130 2.117 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.152 0.387 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.638 1.821 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.318 2.975 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.537 1.580 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.774 1.569 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.455 0.242 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.283 1.593 -10.376 1.00 0.00 H new ATOM 164 N ILE A 11 0.796 -1.327 -6.311 1.00 0.00 N ATOM 165 CA ILE A 11 0.877 -2.653 -5.720 1.00 0.00 C ATOM 166 C ILE A 11 1.219 -3.672 -6.808 1.00 0.00 C ATOM 167 O ILE A 11 0.393 -3.964 -7.670 1.00 0.00 O ATOM 168 CB ILE A 11 -0.406 -2.976 -4.954 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.198 -4.166 -4.014 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.576 -3.201 -5.913 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.290 -4.477 -3.843 1.00 0.00 C ATOM 0 H ILE A 11 0.214 -1.267 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 11 1.679 -2.694 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.659 -2.116 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.641 -3.948 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.713 -5.041 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.476 -3.429 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.740 -2.300 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.347 -4.034 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.409 -5.326 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.725 -4.718 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.797 -3.608 -3.424 1.00 0.00 H new ATOM 183 N LEU A 12 2.438 -4.186 -6.731 1.00 0.00 N ATOM 184 CA LEU A 12 2.897 -5.167 -7.699 1.00 0.00 C ATOM 185 C LEU A 12 3.199 -6.484 -6.980 1.00 0.00 C ATOM 186 O LEU A 12 3.790 -6.486 -5.902 1.00 0.00 O ATOM 187 CB LEU A 12 4.084 -4.619 -8.497 1.00 0.00 C ATOM 188 CG LEU A 12 3.866 -3.263 -9.170 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.188 -2.689 -9.686 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.815 -3.361 -10.277 1.00 0.00 C ATOM 0 H LEU A 12 3.121 -3.942 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 12 2.116 -5.372 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.941 -4.537 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.348 -5.346 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 12 3.482 -2.569 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.006 -1.725 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.878 -2.559 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.623 -3.374 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.680 -2.383 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.146 -4.075 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.869 -3.695 -9.852 1.00 0.00 H new ATOM 202 N GLN A 13 2.777 -7.572 -7.608 1.00 0.00 N ATOM 203 CA GLN A 13 2.993 -8.893 -7.041 1.00 0.00 C ATOM 204 C GLN A 13 4.067 -9.641 -7.831 1.00 0.00 C ATOM 205 O GLN A 13 4.228 -9.418 -9.032 1.00 0.00 O ATOM 206 CB GLN A 13 1.688 -9.692 -6.997 1.00 0.00 C ATOM 207 CG GLN A 13 0.504 -8.832 -7.441 1.00 0.00 C ATOM 208 CD GLN A 13 0.392 -8.797 -8.966 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.770 -9.726 -9.663 1.00 0.00 O ATOM 210 NE2 GLN A 13 -0.144 -7.678 -9.446 1.00 0.00 N ATOM 0 H GLN A 13 2.287 -7.566 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 13 3.342 -8.773 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.770 -10.566 -7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.516 -10.059 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.418 -9.228 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.623 -7.818 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.439 -6.939 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.260 -7.559 -10.452 1.00 0.00 H new ATOM 219 N SER A 14 4.775 -10.514 -7.130 1.00 0.00 N ATOM 220 CA SER A 14 5.831 -11.295 -7.752 1.00 0.00 C ATOM 221 C SER A 14 5.690 -12.768 -7.363 1.00 0.00 C ATOM 222 O SER A 14 6.476 -13.281 -6.569 1.00 0.00 O ATOM 223 CB SER A 14 7.212 -10.771 -7.354 1.00 0.00 C ATOM 224 OG SER A 14 7.672 -9.753 -8.240 1.00 0.00 O ATOM 0 H SER A 14 4.638 -10.698 -6.136 1.00 0.00 H new ATOM 0 HA SER A 14 5.735 -11.200 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.172 -10.377 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.925 -11.596 -7.348 1.00 0.00 H new ATOM 0 HG SER A 14 8.556 -9.443 -7.952 1.00 0.00 H new ATOM 230 N SER A 15 4.681 -13.405 -7.940 1.00 0.00 N ATOM 231 CA SER A 15 4.426 -14.809 -7.664 1.00 0.00 C ATOM 232 C SER A 15 4.453 -15.612 -8.966 1.00 0.00 C ATOM 233 O SER A 15 3.702 -16.574 -9.122 1.00 0.00 O ATOM 234 CB SER A 15 3.085 -14.997 -6.953 1.00 0.00 C ATOM 235 OG SER A 15 2.624 -16.342 -7.029 1.00 0.00 O ATOM 0 H SER A 15 4.031 -12.975 -8.597 1.00 0.00 H new ATOM 0 HA SER A 15 5.211 -15.175 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.186 -14.707 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.343 -14.334 -7.398 1.00 0.00 H new ATOM 0 HG SER A 15 2.648 -16.644 -7.961 1.00 0.00 H new ATOM 351 N THR A 25 6.961 -18.846 -2.584 1.00 0.00 N ATOM 352 CA THR A 25 6.553 -17.668 -1.838 1.00 0.00 C ATOM 353 C THR A 25 5.963 -16.618 -2.781 1.00 0.00 C ATOM 354 O THR A 25 5.795 -16.872 -3.972 1.00 0.00 O ATOM 355 CB THR A 25 7.764 -17.165 -1.050 1.00 0.00 C ATOM 356 OG1 THR A 25 8.805 -17.096 -2.020 1.00 0.00 O ATOM 357 CG2 THR A 25 8.269 -18.192 -0.033 1.00 0.00 C ATOM 0 HA THR A 25 5.760 -17.904 -1.128 1.00 0.00 H new ATOM 0 HB THR A 25 7.503 -16.241 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.670 -17.793 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.129 -17.785 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.476 -18.419 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.562 -19.104 -0.552 1.00 0.00 H new ATOM 365 N ILE A 26 5.665 -15.458 -2.211 1.00 0.00 N ATOM 366 CA ILE A 26 5.098 -14.367 -2.986 1.00 0.00 C ATOM 367 C ILE A 26 5.805 -13.063 -2.615 1.00 0.00 C ATOM 368 O ILE A 26 6.051 -12.798 -1.439 1.00 0.00 O ATOM 369 CB ILE A 26 3.579 -14.316 -2.807 1.00 0.00 C ATOM 370 CG1 ILE A 26 3.024 -12.954 -3.225 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.183 -14.684 -1.376 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.575 -12.788 -2.761 1.00 0.00 C ATOM 0 H ILE A 26 5.806 -15.251 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 26 5.265 -14.529 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 26 3.131 -15.061 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.639 -12.161 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.077 -12.853 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.099 -14.640 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.527 -15.693 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.640 -13.981 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.203 -11.811 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.959 -13.569 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.530 -12.866 -1.675 1.00 0.00 H new ATOM 384 N GLN A 27 6.112 -12.281 -3.641 1.00 0.00 N ATOM 385 CA GLN A 27 6.787 -11.010 -3.437 1.00 0.00 C ATOM 386 C GLN A 27 5.869 -9.853 -3.837 1.00 0.00 C ATOM 387 O GLN A 27 5.788 -9.497 -5.012 1.00 0.00 O ATOM 388 CB GLN A 27 8.103 -10.958 -4.212 1.00 0.00 C ATOM 389 CG GLN A 27 9.284 -11.329 -3.313 1.00 0.00 C ATOM 390 CD GLN A 27 10.122 -12.444 -3.941 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.784 -12.265 -4.951 1.00 0.00 O ATOM 392 NE2 GLN A 27 10.059 -13.602 -3.290 1.00 0.00 N ATOM 0 H GLN A 27 5.906 -12.503 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 27 7.024 -10.912 -2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.057 -11.642 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.251 -9.957 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.908 -10.451 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.917 -11.650 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.486 -13.685 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.584 -14.408 -3.630 1.00 0.00 H new ATOM 401 N LEU A 28 5.200 -9.298 -2.836 1.00 0.00 N ATOM 402 CA LEU A 28 4.291 -8.188 -3.069 1.00 0.00 C ATOM 403 C LEU A 28 4.979 -6.880 -2.675 1.00 0.00 C ATOM 404 O LEU A 28 5.095 -6.567 -1.491 1.00 0.00 O ATOM 405 CB LEU A 28 2.961 -8.425 -2.350 1.00 0.00 C ATOM 406 CG LEU A 28 1.832 -9.004 -3.204 1.00 0.00 C ATOM 407 CD1 LEU A 28 0.770 -9.673 -2.327 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.229 -7.935 -4.117 1.00 0.00 C ATOM 0 H LEU A 28 5.269 -9.596 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 28 4.045 -8.112 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.139 -9.099 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.623 -7.477 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 28 2.253 -9.776 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.022 -10.077 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.226 -10.481 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.348 -8.938 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.429 -8.374 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.826 -7.124 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.002 -7.544 -4.779 1.00 0.00 H new ATOM 420 N LEU A 29 5.418 -6.149 -3.689 1.00 0.00 N ATOM 421 CA LEU A 29 6.091 -4.881 -3.463 1.00 0.00 C ATOM 422 C LEU A 29 5.187 -3.738 -3.927 1.00 0.00 C ATOM 423 O LEU A 29 4.686 -3.755 -5.051 1.00 0.00 O ATOM 424 CB LEU A 29 7.471 -4.882 -4.124 1.00 0.00 C ATOM 425 CG LEU A 29 7.623 -5.774 -5.359 1.00 0.00 C ATOM 426 CD1 LEU A 29 6.744 -5.274 -6.508 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.091 -5.897 -5.769 1.00 0.00 C ATOM 0 H LEU A 29 5.321 -6.411 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 29 6.273 -4.731 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.717 -3.859 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.207 -5.193 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 29 7.277 -6.775 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.871 -5.925 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.699 -5.283 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.035 -4.258 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.171 -6.536 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.488 -4.909 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.662 -6.334 -4.950 1.00 0.00 H new ATOM 439 N CYS A 30 5.005 -2.772 -3.040 1.00 0.00 N ATOM 440 CA CYS A 30 4.170 -1.623 -3.345 1.00 0.00 C ATOM 441 C CYS A 30 5.066 -0.508 -3.887 1.00 0.00 C ATOM 442 O CYS A 30 6.134 -0.246 -3.339 1.00 0.00 O ATOM 443 CB CYS A 30 3.366 -1.167 -2.125 1.00 0.00 C ATOM 444 SG CYS A 30 1.551 -1.327 -2.296 1.00 0.00 S ATOM 0 H CYS A 30 5.422 -2.761 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 30 3.434 -1.896 -4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.687 -1.746 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.607 -0.124 -1.918 1.00 0.00 H new ATOM 449 N LEU A 31 4.596 0.118 -4.957 1.00 0.00 N ATOM 450 CA LEU A 31 5.342 1.199 -5.578 1.00 0.00 C ATOM 451 C LEU A 31 4.711 2.537 -5.188 1.00 0.00 C ATOM 452 O LEU A 31 3.697 2.939 -5.753 1.00 0.00 O ATOM 453 CB LEU A 31 5.437 0.984 -7.090 1.00 0.00 C ATOM 454 CG LEU A 31 6.799 0.528 -7.618 1.00 0.00 C ATOM 455 CD1 LEU A 31 7.207 -0.812 -7.000 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.808 0.481 -9.147 1.00 0.00 C ATOM 0 H LEU A 31 3.709 -0.103 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 31 6.369 1.211 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.691 0.244 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.170 1.917 -7.587 1.00 0.00 H new ATOM 0 HG LEU A 31 7.545 1.262 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.178 -1.113 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.269 -0.709 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.464 -1.569 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.788 0.154 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.047 -0.218 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.595 1.474 -9.543 1.00 0.00 H new ATOM 468 N VAL A 32 5.344 3.192 -4.223 1.00 0.00 N ATOM 469 CA VAL A 32 4.858 4.478 -3.750 1.00 0.00 C ATOM 470 C VAL A 32 6.021 5.471 -3.703 1.00 0.00 C ATOM 471 O VAL A 32 7.019 5.232 -3.025 1.00 0.00 O ATOM 472 CB VAL A 32 4.161 4.309 -2.400 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.181 4.194 -1.265 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.181 5.455 -2.140 1.00 0.00 C ATOM 0 H VAL A 32 6.187 2.856 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 32 4.113 4.882 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 32 3.591 3.381 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.658 4.075 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.821 3.329 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.791 5.096 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.699 5.310 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.721 6.402 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.424 5.471 -2.924 1.00 0.00 H new ATOM 484 N SER A 33 5.853 6.565 -4.431 1.00 0.00 N ATOM 485 CA SER A 33 6.877 7.596 -4.480 1.00 0.00 C ATOM 486 C SER A 33 6.244 8.943 -4.830 1.00 0.00 C ATOM 487 O SER A 33 5.025 9.049 -4.951 1.00 0.00 O ATOM 488 CB SER A 33 7.966 7.241 -5.494 1.00 0.00 C ATOM 489 OG SER A 33 7.420 6.888 -6.762 1.00 0.00 O ATOM 0 H SER A 33 5.024 6.760 -4.992 1.00 0.00 H new ATOM 0 HA SER A 33 7.343 7.665 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.641 8.089 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.561 6.411 -5.112 1.00 0.00 H new ATOM 0 HG SER A 33 8.147 6.670 -7.382 1.00 0.00 H new ATOM 495 N GLY A 34 7.103 9.942 -4.983 1.00 0.00 N ATOM 496 CA GLY A 34 6.643 11.279 -5.317 1.00 0.00 C ATOM 497 C GLY A 34 6.098 11.996 -4.080 1.00 0.00 C ATOM 498 O GLY A 34 6.440 13.149 -3.826 1.00 0.00 O ATOM 0 H GLY A 34 8.114 9.851 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.465 11.855 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.866 11.220 -6.080 1.00 0.00 H new ATOM 502 N TYR A 35 5.259 11.282 -3.343 1.00 0.00 N ATOM 503 CA TYR A 35 4.662 11.836 -2.139 1.00 0.00 C ATOM 504 C TYR A 35 5.740 12.210 -1.118 1.00 0.00 C ATOM 505 O TYR A 35 6.742 11.511 -0.983 1.00 0.00 O ATOM 506 CB TYR A 35 3.786 10.728 -1.556 1.00 0.00 C ATOM 507 CG TYR A 35 4.554 9.460 -1.177 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.381 9.458 -0.072 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.422 8.318 -1.940 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.104 8.265 0.286 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.145 7.125 -1.585 1.00 0.00 C ATOM 512 CZ TYR A 35 5.950 7.157 -0.490 1.00 0.00 C ATOM 513 OH TYR A 35 6.635 6.031 -0.153 1.00 0.00 O ATOM 0 H TYR A 35 4.979 10.325 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 35 4.095 12.738 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.277 11.110 -0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.014 10.470 -2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.486 10.352 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.775 8.319 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.753 8.250 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.050 6.225 -2.175 1.00 0.00 H new ATOM 0 HH TYR A 35 6.143 5.545 0.541 1.00 0.00 H new ATOM 523 N THR A 36 5.492 13.312 -0.425 1.00 0.00 N ATOM 524 CA THR A 36 6.428 13.788 0.581 1.00 0.00 C ATOM 525 C THR A 36 7.849 13.820 0.015 1.00 0.00 C ATOM 526 O THR A 36 8.259 12.904 -0.694 1.00 0.00 O ATOM 527 CB THR A 36 6.286 12.898 1.819 1.00 0.00 C ATOM 528 OG1 THR A 36 4.878 12.805 2.019 1.00 0.00 O ATOM 529 CG2 THR A 36 6.799 13.576 3.089 1.00 0.00 C ATOM 0 H THR A 36 4.658 13.888 -0.540 1.00 0.00 H new ATOM 0 HA THR A 36 6.206 14.814 0.874 1.00 0.00 H new ATOM 0 HB THR A 36 6.829 11.966 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.690 12.690 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.675 12.902 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.855 13.820 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.233 14.491 3.267 1.00 0.00 H new ATOM 537 N PRO A 37 8.580 14.915 0.361 1.00 0.00 N ATOM 538 CA PRO A 37 9.946 15.077 -0.106 1.00 0.00 C ATOM 539 C PRO A 37 10.899 14.158 0.658 1.00 0.00 C ATOM 540 O PRO A 37 12.072 14.043 0.307 1.00 0.00 O ATOM 541 CB PRO A 37 10.255 16.553 0.095 1.00 0.00 C ATOM 542 CG PRO A 37 9.226 17.064 1.089 1.00 0.00 C ATOM 543 CD PRO A 37 8.126 16.019 1.199 1.00 0.00 C ATOM 0 HA PRO A 37 10.071 14.795 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.267 16.692 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.191 17.097 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.687 17.237 2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.815 18.018 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.984 15.700 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.170 16.412 0.853 1.00 0.00 H new ATOM 551 N GLY A 38 10.361 13.525 1.691 1.00 0.00 N ATOM 552 CA GLY A 38 11.149 12.618 2.508 1.00 0.00 C ATOM 553 C GLY A 38 10.496 11.236 2.580 1.00 0.00 C ATOM 554 O GLY A 38 10.970 10.359 3.299 1.00 0.00 O ATOM 0 H GLY A 38 9.388 13.623 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.153 12.528 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.255 13.027 3.513 1.00 0.00 H new ATOM 558 N THR A 39 9.417 11.088 1.825 1.00 0.00 N ATOM 559 CA THR A 39 8.693 9.827 1.795 1.00 0.00 C ATOM 560 C THR A 39 7.561 9.840 2.825 1.00 0.00 C ATOM 561 O THR A 39 7.184 10.895 3.328 1.00 0.00 O ATOM 562 CB THR A 39 9.701 8.698 2.013 1.00 0.00 C ATOM 563 OG1 THR A 39 9.187 7.620 1.235 1.00 0.00 O ATOM 564 CG2 THR A 39 9.684 8.166 3.447 1.00 0.00 C ATOM 0 H THR A 39 9.027 11.819 1.230 1.00 0.00 H new ATOM 0 HA THR A 39 8.211 9.669 0.830 1.00 0.00 H new ATOM 0 HB THR A 39 10.703 9.053 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.554 6.774 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.418 7.366 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.930 8.973 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.692 7.779 3.680 1.00 0.00 H new ATOM 572 N ILE A 40 7.049 8.649 3.106 1.00 0.00 N ATOM 573 CA ILE A 40 5.966 8.510 4.065 1.00 0.00 C ATOM 574 C ILE A 40 6.283 7.353 5.018 1.00 0.00 C ATOM 575 O ILE A 40 7.431 7.170 5.417 1.00 0.00 O ATOM 576 CB ILE A 40 4.626 8.361 3.342 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.595 7.086 2.500 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.312 9.607 2.511 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.529 7.178 1.406 1.00 0.00 C ATOM 0 H ILE A 40 7.364 7.774 2.687 1.00 0.00 H new ATOM 0 HA ILE A 40 5.875 9.411 4.672 1.00 0.00 H new ATOM 0 HB ILE A 40 3.841 8.268 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.573 6.921 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.391 6.228 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.354 9.476 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.262 10.477 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.096 9.756 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.528 6.258 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.550 7.319 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.749 8.023 0.753 1.00 0.00 H new ATOM 591 N ASN A 41 5.243 6.604 5.353 1.00 0.00 N ATOM 592 CA ASN A 41 5.395 5.470 6.249 1.00 0.00 C ATOM 593 C ASN A 41 5.110 4.177 5.484 1.00 0.00 C ATOM 594 O ASN A 41 4.462 4.200 4.439 1.00 0.00 O ATOM 595 CB ASN A 41 4.409 5.557 7.417 1.00 0.00 C ATOM 596 CG ASN A 41 4.663 4.440 8.431 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.094 3.363 8.364 1.00 0.00 O ATOM 598 ND2 ASN A 41 5.546 4.756 9.374 1.00 0.00 N ATOM 0 H ASN A 41 4.292 6.760 5.020 1.00 0.00 H new ATOM 0 HA ASN A 41 6.414 5.479 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.504 6.526 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.388 5.488 7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.783 4.078 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.987 5.676 9.372 1.00 0.00 H new ATOM 605 N ILE A 42 5.608 3.081 6.034 1.00 0.00 N ATOM 606 CA ILE A 42 5.415 1.780 5.415 1.00 0.00 C ATOM 607 C ILE A 42 4.600 0.888 6.356 1.00 0.00 C ATOM 608 O ILE A 42 4.943 0.738 7.526 1.00 0.00 O ATOM 609 CB ILE A 42 6.760 1.174 5.008 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.794 2.270 4.738 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.599 0.232 3.815 1.00 0.00 C ATOM 612 CD1 ILE A 42 7.373 3.141 3.554 1.00 0.00 C ATOM 0 H ILE A 42 6.145 3.066 6.901 1.00 0.00 H new ATOM 0 HA ILE A 42 4.844 1.879 4.492 1.00 0.00 H new ATOM 0 HB ILE A 42 7.132 0.577 5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.912 2.890 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.764 1.817 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.570 -0.185 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.918 -0.577 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.194 0.785 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.125 3.912 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.279 2.522 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.414 3.612 3.771 1.00 0.00 H new ATOM 624 N THR A 43 3.534 0.323 5.808 1.00 0.00 N ATOM 625 CA THR A 43 2.668 -0.549 6.582 1.00 0.00 C ATOM 626 C THR A 43 1.943 -1.534 5.662 1.00 0.00 C ATOM 627 O THR A 43 1.810 -1.287 4.464 1.00 0.00 O ATOM 628 CB THR A 43 1.721 0.331 7.398 1.00 0.00 C ATOM 629 OG1 THR A 43 2.524 1.442 7.786 1.00 0.00 O ATOM 630 CG2 THR A 43 1.315 -0.317 8.724 1.00 0.00 C ATOM 0 H THR A 43 3.251 0.452 4.837 1.00 0.00 H new ATOM 0 HA THR A 43 3.242 -1.164 7.275 1.00 0.00 H new ATOM 0 HB THR A 43 0.828 0.544 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.450 2.150 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.642 0.350 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.809 -1.262 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.205 -0.501 9.327 1.00 0.00 H new ATOM 638 N TRP A 44 1.491 -2.628 6.258 1.00 0.00 N ATOM 639 CA TRP A 44 0.783 -3.651 5.509 1.00 0.00 C ATOM 640 C TRP A 44 -0.265 -4.273 6.432 1.00 0.00 C ATOM 641 O TRP A 44 0.046 -4.660 7.558 1.00 0.00 O ATOM 642 CB TRP A 44 1.756 -4.680 4.929 1.00 0.00 C ATOM 643 CG TRP A 44 2.828 -4.078 4.017 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.759 -3.167 4.329 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.041 -4.382 2.622 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.554 -2.862 3.242 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.103 -3.626 2.172 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.358 -5.269 1.771 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.578 -3.680 0.855 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.845 -5.310 0.458 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.913 -4.555 -0.012 1.00 0.00 C ATOM 0 H TRP A 44 1.602 -2.828 7.252 1.00 0.00 H new ATOM 0 HA TRP A 44 0.274 -3.216 4.649 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.245 -5.205 5.749 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.190 -5.423 4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.874 -2.726 5.308 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.329 -2.199 3.227 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.525 -5.870 2.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.413 -3.079 0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.356 -5.975 -0.238 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.228 -4.643 -1.041 1.00 0.00 H new ATOM 662 N LEU A 45 -1.485 -4.355 5.922 1.00 0.00 N ATOM 663 CA LEU A 45 -2.581 -4.925 6.688 1.00 0.00 C ATOM 664 C LEU A 45 -2.729 -6.405 6.333 1.00 0.00 C ATOM 665 O LEU A 45 -3.132 -6.745 5.222 1.00 0.00 O ATOM 666 CB LEU A 45 -3.861 -4.112 6.479 1.00 0.00 C ATOM 667 CG LEU A 45 -4.240 -3.155 7.611 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.213 -3.820 8.585 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.993 -2.621 8.319 1.00 0.00 C ATOM 0 H LEU A 45 -1.739 -4.036 4.987 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.368 -4.872 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.755 -3.534 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.687 -4.806 6.325 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.754 -2.297 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.467 -3.120 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.119 -4.109 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.747 -4.706 9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.291 -1.943 9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.429 -3.453 8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.370 -2.085 7.603 1.00 0.00 H new ATOM 681 N GLU A 46 -2.394 -7.248 7.300 1.00 0.00 N ATOM 682 CA GLU A 46 -2.484 -8.685 7.105 1.00 0.00 C ATOM 683 C GLU A 46 -3.776 -9.225 7.720 1.00 0.00 C ATOM 684 O GLU A 46 -4.267 -8.688 8.714 1.00 0.00 O ATOM 685 CB GLU A 46 -1.261 -9.395 7.687 1.00 0.00 C ATOM 686 CG GLU A 46 -0.615 -10.317 6.651 1.00 0.00 C ATOM 687 CD GLU A 46 -0.359 -9.572 5.339 1.00 0.00 C ATOM 688 OE1 GLU A 46 -0.133 -8.352 5.354 1.00 0.00 O ATOM 689 OE2 GLU A 46 -0.396 -10.305 4.279 1.00 0.00 O ATOM 0 H GLU A 46 -2.060 -6.963 8.221 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.504 -8.886 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.534 -8.656 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.555 -9.975 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.325 -10.707 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.263 -11.174 6.467 1.00 0.00 H new ATOM 697 N ASP A 47 -4.292 -10.279 7.106 1.00 0.00 N ATOM 698 CA ASP A 47 -5.517 -10.897 7.582 1.00 0.00 C ATOM 699 C ASP A 47 -5.569 -12.351 7.105 1.00 0.00 C ATOM 700 O ASP A 47 -6.075 -12.634 6.022 1.00 0.00 O ATOM 701 CB ASP A 47 -6.748 -10.175 7.028 1.00 0.00 C ATOM 702 CG ASP A 47 -7.490 -9.297 8.038 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.613 -8.077 7.857 1.00 0.00 O ATOM 704 OD2 ASP A 47 -7.963 -9.924 9.063 1.00 0.00 O ATOM 0 H ASP A 47 -3.884 -10.721 6.282 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.523 -10.840 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.439 -9.554 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.442 -10.919 6.637 1.00 0.00 H new ATOM 796 N ASP A 54 5.631 -13.686 7.481 1.00 0.00 N ATOM 797 CA ASP A 54 5.326 -12.953 6.264 1.00 0.00 C ATOM 798 C ASP A 54 5.134 -11.473 6.601 1.00 0.00 C ATOM 799 O ASP A 54 4.138 -11.096 7.216 1.00 0.00 O ATOM 800 CB ASP A 54 4.034 -13.464 5.624 1.00 0.00 C ATOM 801 CG ASP A 54 3.784 -14.964 5.780 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.860 -15.387 6.494 1.00 0.00 O ATOM 803 OD2 ASP A 54 4.594 -15.724 5.125 1.00 0.00 O ATOM 0 HA ASP A 54 6.153 -13.093 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.193 -12.924 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.053 -13.223 4.561 1.00 0.00 H new ATOM 809 N LEU A 55 6.104 -10.674 6.180 1.00 0.00 N ATOM 810 CA LEU A 55 6.054 -9.243 6.429 1.00 0.00 C ATOM 811 C LEU A 55 6.462 -8.495 5.158 1.00 0.00 C ATOM 812 O LEU A 55 7.078 -9.072 4.264 1.00 0.00 O ATOM 813 CB LEU A 55 6.901 -8.882 7.652 1.00 0.00 C ATOM 814 CG LEU A 55 8.022 -7.870 7.417 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.924 -8.308 6.261 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.458 -6.464 7.200 1.00 0.00 C ATOM 0 H LEU A 55 6.928 -10.990 5.669 1.00 0.00 H new ATOM 0 HA LEU A 55 5.037 -8.934 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.239 -8.488 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.342 -9.797 8.047 1.00 0.00 H new ATOM 0 HG LEU A 55 8.640 -7.834 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.713 -7.570 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.370 -9.275 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.332 -8.391 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.278 -5.765 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.802 -6.466 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.892 -6.159 8.080 1.00 0.00 H new ATOM 828 N SER A 56 6.102 -7.220 5.118 1.00 0.00 N ATOM 829 CA SER A 56 6.422 -6.387 3.972 1.00 0.00 C ATOM 830 C SER A 56 7.075 -5.084 4.438 1.00 0.00 C ATOM 831 O SER A 56 6.600 -4.448 5.377 1.00 0.00 O ATOM 832 CB SER A 56 5.171 -6.086 3.144 1.00 0.00 C ATOM 833 OG SER A 56 3.973 -6.345 3.870 1.00 0.00 O ATOM 0 H SER A 56 5.591 -6.744 5.862 1.00 0.00 H new ATOM 0 HA SER A 56 7.123 -6.931 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.186 -5.042 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.183 -6.691 2.237 1.00 0.00 H new ATOM 0 HG SER A 56 3.228 -5.861 3.456 1.00 0.00 H new ATOM 839 N THR A 57 8.158 -4.729 3.761 1.00 0.00 N ATOM 840 CA THR A 57 8.881 -3.513 4.093 1.00 0.00 C ATOM 841 C THR A 57 9.173 -2.701 2.829 1.00 0.00 C ATOM 842 O THR A 57 9.218 -3.254 1.730 1.00 0.00 O ATOM 843 CB THR A 57 10.142 -3.909 4.865 1.00 0.00 C ATOM 844 OG1 THR A 57 9.897 -5.257 5.260 1.00 0.00 O ATOM 845 CG2 THR A 57 10.282 -3.153 6.186 1.00 0.00 C ATOM 0 H THR A 57 8.552 -5.262 2.985 1.00 0.00 H new ATOM 0 HA THR A 57 8.283 -2.860 4.729 1.00 0.00 H new ATOM 0 HB THR A 57 11.020 -3.723 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.666 -5.595 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.193 -3.472 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.332 -2.082 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.421 -3.365 6.820 1.00 0.00 H new ATOM 853 N ALA A 58 9.363 -1.406 3.027 1.00 0.00 N ATOM 854 CA ALA A 58 9.649 -0.514 1.917 1.00 0.00 C ATOM 855 C ALA A 58 10.874 0.339 2.253 1.00 0.00 C ATOM 856 O ALA A 58 11.141 0.612 3.423 1.00 0.00 O ATOM 857 CB ALA A 58 8.413 0.336 1.613 1.00 0.00 C ATOM 0 H ALA A 58 9.325 -0.952 3.940 1.00 0.00 H new ATOM 0 HA ALA A 58 9.882 -1.085 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.628 1.005 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.579 -0.315 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.150 0.924 2.493 1.00 0.00 H new ATOM 863 N SER A 59 11.585 0.735 1.209 1.00 0.00 N ATOM 864 CA SER A 59 12.776 1.551 1.381 1.00 0.00 C ATOM 865 C SER A 59 12.489 2.992 0.951 1.00 0.00 C ATOM 866 O SER A 59 11.514 3.250 0.247 1.00 0.00 O ATOM 867 CB SER A 59 13.952 0.982 0.585 1.00 0.00 C ATOM 868 OG SER A 59 15.169 1.025 1.326 1.00 0.00 O ATOM 0 H SER A 59 11.360 0.507 0.241 1.00 0.00 H new ATOM 0 HA SER A 59 13.049 1.542 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.735 -0.049 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.071 1.546 -0.340 1.00 0.00 H new ATOM 0 HG SER A 59 15.895 0.651 0.784 1.00 0.00 H new ATOM 874 N THR A 60 13.357 3.889 1.389 1.00 0.00 N ATOM 875 CA THR A 60 13.211 5.298 1.058 1.00 0.00 C ATOM 876 C THR A 60 14.267 5.716 0.032 1.00 0.00 C ATOM 877 O THR A 60 15.411 5.272 0.097 1.00 0.00 O ATOM 878 CB THR A 60 13.275 6.098 2.359 1.00 0.00 C ATOM 879 OG1 THR A 60 12.572 5.291 3.299 1.00 0.00 O ATOM 880 CG2 THR A 60 12.459 7.392 2.292 1.00 0.00 C ATOM 0 H THR A 60 14.165 3.669 1.971 1.00 0.00 H new ATOM 0 HA THR A 60 12.249 5.497 0.586 1.00 0.00 H new ATOM 0 HB THR A 60 14.314 6.336 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.567 5.735 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.538 7.922 3.241 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.843 8.023 1.491 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.414 7.153 2.096 1.00 0.00 H new ATOM 888 N THR A 61 13.845 6.568 -0.889 1.00 0.00 N ATOM 889 CA THR A 61 14.739 7.053 -1.927 1.00 0.00 C ATOM 890 C THR A 61 14.414 8.507 -2.275 1.00 0.00 C ATOM 891 O THR A 61 13.295 8.967 -2.054 1.00 0.00 O ATOM 892 CB THR A 61 14.634 6.105 -3.123 1.00 0.00 C ATOM 893 OG1 THR A 61 13.501 5.293 -2.824 1.00 0.00 O ATOM 894 CG2 THR A 61 15.797 5.111 -3.187 1.00 0.00 C ATOM 0 H THR A 61 12.895 6.936 -0.939 1.00 0.00 H new ATOM 0 HA THR A 61 15.774 7.057 -1.586 1.00 0.00 H new ATOM 0 HB THR A 61 14.602 6.686 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.684 5.828 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.674 4.462 -4.054 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.737 5.656 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.809 4.507 -2.280 1.00 0.00 H new ATOM 902 N GLN A 62 15.414 9.191 -2.812 1.00 0.00 N ATOM 903 CA GLN A 62 15.249 10.583 -3.192 1.00 0.00 C ATOM 904 C GLN A 62 14.985 10.695 -4.694 1.00 0.00 C ATOM 905 O GLN A 62 15.721 10.131 -5.502 1.00 0.00 O ATOM 906 CB GLN A 62 16.471 11.411 -2.787 1.00 0.00 C ATOM 907 CG GLN A 62 16.147 12.906 -2.789 1.00 0.00 C ATOM 908 CD GLN A 62 17.276 13.711 -3.433 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.116 13.190 -4.148 1.00 0.00 O ATOM 910 NE2 GLN A 62 17.250 15.010 -3.141 1.00 0.00 N ATOM 0 H GLN A 62 16.341 8.807 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 62 14.387 10.985 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.806 11.109 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.293 11.213 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.217 13.079 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.989 13.249 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.518 15.382 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.962 15.633 -3.523 1.00 0.00 H new ATOM 919 N GLU A 63 13.930 11.428 -5.024 1.00 0.00 N ATOM 920 CA GLU A 63 13.560 11.622 -6.416 1.00 0.00 C ATOM 921 C GLU A 63 13.418 13.113 -6.725 1.00 0.00 C ATOM 922 O GLU A 63 12.328 13.583 -7.049 1.00 0.00 O ATOM 923 CB GLU A 63 12.270 10.868 -6.748 1.00 0.00 C ATOM 924 CG GLU A 63 12.573 9.573 -7.505 1.00 0.00 C ATOM 925 CD GLU A 63 11.881 9.560 -8.870 1.00 0.00 C ATOM 926 OE1 GLU A 63 12.221 10.373 -9.744 1.00 0.00 O ATOM 927 OE2 GLU A 63 10.962 8.667 -9.007 1.00 0.00 O ATOM 0 H GLU A 63 13.321 11.894 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 63 14.353 11.216 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.731 10.639 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.618 11.502 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.650 9.469 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.241 8.718 -6.917 1.00 0.00 H new ATOM 935 N GLY A 64 14.534 13.818 -6.613 1.00 0.00 N ATOM 936 CA GLY A 64 14.549 15.246 -6.875 1.00 0.00 C ATOM 937 C GLY A 64 13.876 16.019 -5.740 1.00 0.00 C ATOM 938 O GLY A 64 14.438 16.146 -4.652 1.00 0.00 O ATOM 0 H GLY A 64 15.436 13.425 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.578 15.587 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.036 15.452 -7.814 1.00 0.00 H new ATOM 942 N GLU A 65 12.682 16.518 -6.030 1.00 0.00 N ATOM 943 CA GLU A 65 11.929 17.275 -5.047 1.00 0.00 C ATOM 944 C GLU A 65 10.842 16.398 -4.420 1.00 0.00 C ATOM 945 O GLU A 65 10.087 16.855 -3.564 1.00 0.00 O ATOM 946 CB GLU A 65 11.324 18.535 -5.670 1.00 0.00 C ATOM 947 CG GLU A 65 10.718 19.441 -4.597 1.00 0.00 C ATOM 948 CD GLU A 65 11.317 20.849 -4.666 1.00 0.00 C ATOM 949 OE1 GLU A 65 10.668 21.774 -5.175 1.00 0.00 O ATOM 950 OE2 GLU A 65 12.502 20.961 -4.167 1.00 0.00 O ATOM 0 H GLU A 65 12.219 16.412 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 65 12.613 17.591 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.093 19.079 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.556 18.256 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.637 19.495 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.898 19.013 -3.611 1.00 0.00 H new ATOM 958 N LEU A 66 10.797 15.154 -4.874 1.00 0.00 N ATOM 959 CA LEU A 66 9.816 14.208 -4.369 1.00 0.00 C ATOM 960 C LEU A 66 10.533 13.105 -3.587 1.00 0.00 C ATOM 961 O LEU A 66 11.756 13.107 -3.485 1.00 0.00 O ATOM 962 CB LEU A 66 8.940 13.685 -5.509 1.00 0.00 C ATOM 963 CG LEU A 66 8.940 14.518 -6.792 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.825 13.877 -7.862 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.514 14.753 -7.292 1.00 0.00 C ATOM 0 H LEU A 66 11.424 14.779 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 66 9.135 14.699 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.265 12.674 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.914 13.611 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 66 9.367 15.495 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.807 14.489 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.848 13.805 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.451 12.879 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.542 15.348 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.038 13.794 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.944 15.285 -6.530 1.00 0.00 H new ATOM 977 N ALA A 67 9.736 12.190 -3.052 1.00 0.00 N ATOM 978 CA ALA A 67 10.277 11.084 -2.282 1.00 0.00 C ATOM 979 C ALA A 67 9.707 9.770 -2.816 1.00 0.00 C ATOM 980 O ALA A 67 8.494 9.567 -2.812 1.00 0.00 O ATOM 981 CB ALA A 67 9.969 11.295 -0.799 1.00 0.00 C ATOM 0 H ALA A 67 8.720 12.193 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 67 11.361 11.038 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.375 10.465 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.422 12.227 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.890 11.344 -0.655 1.00 0.00 H new ATOM 987 N SER A 68 10.609 8.907 -3.263 1.00 0.00 N ATOM 988 CA SER A 68 10.210 7.617 -3.798 1.00 0.00 C ATOM 989 C SER A 68 10.548 6.508 -2.798 1.00 0.00 C ATOM 990 O SER A 68 11.708 6.333 -2.429 1.00 0.00 O ATOM 991 CB SER A 68 10.889 7.345 -5.142 1.00 0.00 C ATOM 992 OG SER A 68 10.542 6.066 -5.665 1.00 0.00 O ATOM 0 H SER A 68 11.615 9.077 -3.265 1.00 0.00 H new ATOM 0 HA SER A 68 9.133 7.633 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.604 8.118 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.971 7.406 -5.021 1.00 0.00 H new ATOM 0 HG SER A 68 10.994 5.930 -6.524 1.00 0.00 H new ATOM 998 N THR A 69 9.513 5.788 -2.391 1.00 0.00 N ATOM 999 CA THR A 69 9.685 4.702 -1.441 1.00 0.00 C ATOM 1000 C THR A 69 9.172 3.388 -2.035 1.00 0.00 C ATOM 1001 O THR A 69 8.008 3.287 -2.414 1.00 0.00 O ATOM 1002 CB THR A 69 8.983 5.094 -0.140 1.00 0.00 C ATOM 1003 OG1 THR A 69 10.053 5.368 0.762 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.243 3.920 0.503 1.00 0.00 C ATOM 0 H THR A 69 8.553 5.935 -2.702 1.00 0.00 H new ATOM 0 HA THR A 69 10.739 4.534 -1.220 1.00 0.00 H new ATOM 0 HB THR A 69 8.278 5.902 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.514 4.533 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.763 4.253 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.486 3.545 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.952 3.124 0.731 1.00 0.00 H new ATOM 1012 N GLN A 70 10.069 2.414 -2.100 1.00 0.00 N ATOM 1013 CA GLN A 70 9.722 1.111 -2.641 1.00 0.00 C ATOM 1014 C GLN A 70 9.350 0.150 -1.512 1.00 0.00 C ATOM 1015 O GLN A 70 10.123 -0.042 -0.574 1.00 0.00 O ATOM 1016 CB GLN A 70 10.866 0.547 -3.487 1.00 0.00 C ATOM 1017 CG GLN A 70 12.145 0.410 -2.658 1.00 0.00 C ATOM 1018 CD GLN A 70 12.581 -1.053 -2.563 1.00 0.00 C ATOM 1019 OE1 GLN A 70 11.907 -1.894 -1.992 1.00 0.00 O ATOM 1020 NE2 GLN A 70 13.745 -1.311 -3.153 1.00 0.00 N ATOM 0 H GLN A 70 11.036 2.502 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 70 8.856 1.228 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.582 -0.426 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.049 1.201 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.941 1.002 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.979 0.810 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.260 -0.561 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.122 -2.259 -3.144 1.00 0.00 H new ATOM 1029 N SER A 71 8.165 -0.431 -1.639 1.00 0.00 N ATOM 1030 CA SER A 71 7.679 -1.368 -0.640 1.00 0.00 C ATOM 1031 C SER A 71 7.703 -2.790 -1.203 1.00 0.00 C ATOM 1032 O SER A 71 7.453 -2.997 -2.389 1.00 0.00 O ATOM 1033 CB SER A 71 6.267 -1.002 -0.182 1.00 0.00 C ATOM 1034 OG SER A 71 6.012 0.395 -0.298 1.00 0.00 O ATOM 0 H SER A 71 7.527 -0.271 -2.419 1.00 0.00 H new ATOM 0 HA SER A 71 8.337 -1.316 0.227 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.539 -1.554 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.131 -1.310 0.855 1.00 0.00 H new ATOM 0 HG SER A 71 5.907 0.631 -1.243 1.00 0.00 H new ATOM 1040 N GLU A 72 8.007 -3.735 -0.324 1.00 0.00 N ATOM 1041 CA GLU A 72 8.066 -5.133 -0.719 1.00 0.00 C ATOM 1042 C GLU A 72 7.321 -6.003 0.294 1.00 0.00 C ATOM 1043 O GLU A 72 7.084 -5.581 1.426 1.00 0.00 O ATOM 1044 CB GLU A 72 9.517 -5.596 -0.878 1.00 0.00 C ATOM 1045 CG GLU A 72 9.608 -7.123 -0.865 1.00 0.00 C ATOM 1046 CD GLU A 72 11.056 -7.587 -1.033 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.986 -6.776 -0.898 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.199 -8.839 -1.314 1.00 0.00 O ATOM 0 H GLU A 72 8.215 -3.560 0.659 1.00 0.00 H new ATOM 0 HA GLU A 72 7.577 -5.238 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.925 -5.211 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.124 -5.185 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.206 -7.507 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.995 -7.534 -1.667 1.00 0.00 H new ATOM 1056 N LEU A 73 6.969 -7.201 -0.148 1.00 0.00 N ATOM 1057 CA LEU A 73 6.255 -8.135 0.706 1.00 0.00 C ATOM 1058 C LEU A 73 6.814 -9.543 0.496 1.00 0.00 C ATOM 1059 O LEU A 73 7.221 -9.895 -0.610 1.00 0.00 O ATOM 1060 CB LEU A 73 4.748 -8.030 0.470 1.00 0.00 C ATOM 1061 CG LEU A 73 3.873 -8.990 1.282 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.262 -8.969 2.761 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.387 -8.685 1.075 1.00 0.00 C ATOM 0 H LEU A 73 7.165 -7.547 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 73 6.409 -7.885 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.436 -7.010 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.553 -8.200 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 73 4.048 -10.002 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.625 -9.659 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.304 -9.271 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.134 -7.961 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.788 -9.381 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.177 -7.665 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.137 -8.792 0.019 1.00 0.00 H new ATOM 1075 N THR A 74 6.816 -10.312 1.575 1.00 0.00 N ATOM 1076 CA THR A 74 7.318 -11.673 1.522 1.00 0.00 C ATOM 1077 C THR A 74 6.430 -12.603 2.354 1.00 0.00 C ATOM 1078 O THR A 74 6.301 -12.425 3.564 1.00 0.00 O ATOM 1079 CB THR A 74 8.777 -11.659 1.980 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.069 -13.025 2.259 1.00 0.00 O ATOM 1081 CG2 THR A 74 8.961 -10.955 3.327 1.00 0.00 C ATOM 0 H THR A 74 6.478 -10.018 2.491 1.00 0.00 H new ATOM 0 HA THR A 74 7.285 -12.065 0.506 1.00 0.00 H new ATOM 0 HB THR A 74 9.389 -11.165 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.998 -13.106 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.015 -10.973 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.625 -9.921 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.375 -11.469 4.089 1.00 0.00 H new ATOM 1089 N LEU A 75 5.841 -13.573 1.671 1.00 0.00 N ATOM 1090 CA LEU A 75 4.969 -14.531 2.331 1.00 0.00 C ATOM 1091 C LEU A 75 5.207 -15.922 1.743 1.00 0.00 C ATOM 1092 O LEU A 75 5.779 -16.053 0.661 1.00 0.00 O ATOM 1093 CB LEU A 75 3.512 -14.070 2.253 1.00 0.00 C ATOM 1094 CG LEU A 75 3.291 -12.609 1.857 1.00 0.00 C ATOM 1095 CD1 LEU A 75 3.982 -12.288 0.532 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.799 -12.271 1.824 1.00 0.00 C ATOM 0 H LEU A 75 5.950 -13.717 0.667 1.00 0.00 H new ATOM 0 HA LEU A 75 5.204 -14.591 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.989 -14.703 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.046 -14.237 3.224 1.00 0.00 H new ATOM 0 HG LEU A 75 3.748 -11.976 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.808 -11.243 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.053 -12.465 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.578 -12.927 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.669 -11.227 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.297 -12.910 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.367 -12.435 2.811 1.00 0.00 H new ATOM 1108 N SER A 76 4.759 -16.927 2.481 1.00 0.00 N ATOM 1109 CA SER A 76 4.915 -18.304 2.046 1.00 0.00 C ATOM 1110 C SER A 76 3.716 -18.725 1.197 1.00 0.00 C ATOM 1111 O SER A 76 2.574 -18.405 1.526 1.00 0.00 O ATOM 1112 CB SER A 76 5.077 -19.246 3.241 1.00 0.00 C ATOM 1113 OG SER A 76 6.239 -20.061 3.125 1.00 0.00 O ATOM 0 H SER A 76 4.287 -16.815 3.378 1.00 0.00 H new ATOM 0 HA SER A 76 5.820 -18.370 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.135 -18.661 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.195 -19.882 3.324 1.00 0.00 H new ATOM 0 HG SER A 76 6.307 -20.647 3.908 1.00 0.00 H new ATOM 1119 N GLN A 77 4.011 -19.437 0.119 1.00 0.00 N ATOM 1120 CA GLN A 77 2.972 -19.904 -0.780 1.00 0.00 C ATOM 1121 C GLN A 77 1.942 -20.736 -0.012 1.00 0.00 C ATOM 1122 O GLN A 77 0.747 -20.676 -0.304 1.00 0.00 O ATOM 1123 CB GLN A 77 3.567 -20.704 -1.939 1.00 0.00 C ATOM 1124 CG GLN A 77 2.556 -20.856 -3.078 1.00 0.00 C ATOM 1125 CD GLN A 77 2.660 -19.690 -4.063 1.00 0.00 C ATOM 1126 OE1 GLN A 77 3.728 -19.166 -4.333 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.495 -19.316 -4.584 1.00 0.00 N ATOM 0 H GLN A 77 4.958 -19.702 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 77 2.468 -19.035 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.463 -20.205 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.873 -21.689 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.731 -21.796 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.547 -20.902 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.637 -19.798 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.459 -18.547 -5.253 1.00 0.00 H new ATOM 1136 N LYS A 78 2.441 -21.492 0.955 1.00 0.00 N ATOM 1137 CA LYS A 78 1.578 -22.334 1.767 1.00 0.00 C ATOM 1138 C LYS A 78 0.469 -21.479 2.382 1.00 0.00 C ATOM 1139 O LYS A 78 -0.702 -21.851 2.341 1.00 0.00 O ATOM 1140 CB LYS A 78 2.402 -23.107 2.798 1.00 0.00 C ATOM 1141 CG LYS A 78 1.573 -24.221 3.440 1.00 0.00 C ATOM 1142 CD LYS A 78 1.434 -24.003 4.948 1.00 0.00 C ATOM 1143 CE LYS A 78 1.059 -25.305 5.657 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.014 -25.065 6.647 1.00 0.00 N ATOM 0 H LYS A 78 3.431 -21.539 1.195 1.00 0.00 H new ATOM 0 HA LYS A 78 1.092 -23.089 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.282 -23.535 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.759 -22.424 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.585 -24.254 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.045 -25.185 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.372 -23.622 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.673 -23.247 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.729 -26.042 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.935 -25.720 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.257 -25.959 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.314 -24.377 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.855 -24.690 6.164 1.00 0.00 H new ATOM 1158 N HIS A 79 0.878 -20.348 2.936 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.068 -19.436 3.560 1.00 0.00 C ATOM 1160 C HIS A 79 -1.081 -18.959 2.519 1.00 0.00 C ATOM 1161 O HIS A 79 -2.270 -18.835 2.813 1.00 0.00 O ATOM 1162 CB HIS A 79 0.663 -18.281 4.247 1.00 0.00 C ATOM 1163 CG HIS A 79 0.381 -18.171 5.727 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.117 -17.357 6.572 1.00 0.00 N ATOM 1165 CD2 HIS A 79 -0.560 -18.779 6.504 1.00 0.00 C ATOM 1166 CE1 HIS A 79 0.629 -17.479 7.798 1.00 0.00 C ATOM 1167 NE2 HIS A 79 -0.409 -18.361 7.753 1.00 0.00 N ATOM 0 H HIS A 79 1.850 -20.041 2.967 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.619 -19.957 4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.736 -18.405 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.380 -17.346 3.763 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.901 -16.765 6.298 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.303 -19.483 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.991 -16.969 8.679 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.576 -18.702 1.320 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.423 -18.240 0.233 1.00 0.00 C ATOM 1177 C TRP A 80 -2.444 -19.336 -0.068 1.00 0.00 C ATOM 1178 O TRP A 80 -3.584 -19.049 -0.431 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.586 -17.847 -0.986 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.395 -17.216 -2.119 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.196 -17.828 -3.002 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.450 -15.813 -2.459 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.761 -16.927 -3.882 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.293 -15.662 -3.542 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.810 -14.709 -1.870 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.572 -14.424 -4.130 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.097 -13.477 -2.469 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -1.944 -13.310 -3.559 1.00 0.00 C ATOM 0 H TRP A 80 0.409 -18.805 1.078 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.959 -17.335 0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.188 -17.146 -0.672 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.078 -18.733 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.377 -18.893 -3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.404 -17.148 -4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.149 -14.804 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.235 -14.332 -4.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.629 -12.596 -2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.117 -12.324 -3.964 1.00 0.00 H new ATOM 1199 N LEU A 81 -1.998 -20.575 0.088 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.859 -21.718 -0.163 1.00 0.00 C ATOM 1201 C LEU A 81 -3.971 -21.756 0.886 1.00 0.00 C ATOM 1202 O LEU A 81 -5.119 -22.061 0.569 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.035 -23.005 -0.232 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.120 -23.788 -1.543 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.063 -23.307 -2.538 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -2.025 -25.294 -1.291 1.00 0.00 C ATOM 0 H LEU A 81 -1.051 -20.811 0.385 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.342 -21.623 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.990 -22.754 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.352 -23.660 0.580 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.095 -23.598 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.145 -23.880 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.219 -22.250 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.070 -23.448 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.088 -25.826 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.075 -25.523 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.845 -25.607 -0.644 1.00 0.00 H new ATOM 1218 N SER A 82 -3.592 -21.441 2.116 1.00 0.00 N ATOM 1219 CA SER A 82 -4.543 -21.434 3.214 1.00 0.00 C ATOM 1220 C SER A 82 -5.401 -20.171 3.154 1.00 0.00 C ATOM 1221 O SER A 82 -6.187 -19.905 4.065 1.00 0.00 O ATOM 1222 CB SER A 82 -3.826 -21.525 4.564 1.00 0.00 C ATOM 1223 OG SER A 82 -4.241 -22.665 5.313 1.00 0.00 O ATOM 0 H SER A 82 -2.639 -21.189 2.376 1.00 0.00 H new ATOM 0 HA SER A 82 -5.187 -22.308 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.749 -21.571 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.022 -20.621 5.141 1.00 0.00 H new ATOM 0 HG SER A 82 -3.760 -22.689 6.166 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.226 -19.424 2.075 1.00 0.00 N ATOM 1230 CA ASP A 83 -5.977 -18.194 1.883 1.00 0.00 C ATOM 1231 C ASP A 83 -5.568 -17.181 2.955 1.00 0.00 C ATOM 1232 O ASP A 83 -5.144 -17.562 4.045 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.481 -18.441 2.017 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.123 -19.174 0.837 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -7.933 -18.797 -0.329 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.856 -20.186 1.157 1.00 0.00 O ATOM 0 H ASP A 83 -4.574 -19.647 1.323 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.760 -17.818 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.660 -19.018 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.982 -17.481 2.145 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.708 -15.910 2.606 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.357 -14.840 3.525 1.00 0.00 C ATOM 1244 C ARG A 84 -5.623 -13.479 2.876 1.00 0.00 C ATOM 1245 O ARG A 84 -6.201 -13.404 1.794 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.886 -14.924 3.933 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.037 -15.516 2.806 1.00 0.00 C ATOM 1248 CD ARG A 84 -1.544 -15.336 3.093 1.00 0.00 C ATOM 1249 NE ARG A 84 -1.288 -15.457 4.544 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.268 -14.851 5.186 1.00 0.00 C ATOM 1251 NH1 ARG A 84 0.603 -14.072 4.509 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -0.134 -15.028 6.488 1.00 0.00 N ATOM 0 H ARG A 84 -6.059 -15.598 1.701 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.975 -14.950 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.518 -13.930 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.788 -15.538 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.264 -16.576 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.291 -15.033 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.968 -16.086 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.212 -14.361 2.737 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.923 -16.035 5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.493 -13.938 3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.371 -13.618 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.797 -15.616 6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.632 -14.577 6.988 1.00 0.00 H new ATOM 1266 N THR A 85 -5.187 -12.435 3.567 1.00 0.00 N ATOM 1267 CA THR A 85 -5.368 -11.082 3.074 1.00 0.00 C ATOM 1268 C THR A 85 -4.087 -10.268 3.261 1.00 0.00 C ATOM 1269 O THR A 85 -3.678 -9.997 4.388 1.00 0.00 O ATOM 1270 CB THR A 85 -6.581 -10.477 3.787 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.675 -10.769 2.920 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.535 -8.949 3.827 1.00 0.00 C ATOM 0 H THR A 85 -4.708 -12.501 4.465 1.00 0.00 H new ATOM 0 HA THR A 85 -5.565 -11.076 2.002 1.00 0.00 H new ATOM 0 HB THR A 85 -6.634 -10.865 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.503 -10.414 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.418 -8.572 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.639 -8.626 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.515 -8.559 2.809 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.487 -9.903 2.136 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.260 -9.125 2.162 1.00 0.00 C ATOM 1282 C TYR A 86 -2.443 -7.786 1.445 1.00 0.00 C ATOM 1283 O TYR A 86 -2.825 -7.752 0.274 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.220 -9.956 1.408 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.792 -11.204 0.731 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.724 -11.076 -0.278 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.374 -12.457 1.130 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.262 -12.251 -0.914 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.912 -13.632 0.493 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.830 -13.470 -0.497 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.337 -14.579 -1.098 1.00 0.00 O ATOM 0 H TYR A 86 -3.828 -10.132 1.202 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.962 -8.912 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.748 -9.329 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.438 -10.259 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.050 -10.095 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.644 -12.557 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.993 -12.165 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.593 -14.619 0.795 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.986 -14.646 -2.011 1.00 0.00 H new ATOM 1301 N THR A 87 -2.163 -6.717 2.174 1.00 0.00 N ATOM 1302 CA THR A 87 -2.292 -5.380 1.622 1.00 0.00 C ATOM 1303 C THR A 87 -1.167 -4.479 2.137 1.00 0.00 C ATOM 1304 O THR A 87 -0.837 -4.507 3.321 1.00 0.00 O ATOM 1305 CB THR A 87 -3.690 -4.861 1.962 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.516 -6.021 1.905 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.256 -3.946 0.874 1.00 0.00 C ATOM 0 H THR A 87 -1.847 -6.749 3.143 1.00 0.00 H new ATOM 0 HA THR A 87 -2.188 -5.388 0.537 1.00 0.00 H new ATOM 0 HB THR A 87 -3.656 -4.321 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.441 -5.774 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.250 -3.606 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.601 -3.085 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.322 -4.495 -0.065 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.611 -3.700 1.221 1.00 0.00 N ATOM 1316 CA CYS A 88 0.471 -2.793 1.568 1.00 0.00 C ATOM 1317 C CYS A 88 -0.127 -1.409 1.825 1.00 0.00 C ATOM 1318 O CYS A 88 -0.444 -0.680 0.886 1.00 0.00 O ATOM 1319 CB CYS A 88 1.548 -2.755 0.482 1.00 0.00 C ATOM 1320 SG CYS A 88 0.914 -2.849 -1.232 1.00 0.00 S ATOM 0 H CYS A 88 -0.889 -3.678 0.240 1.00 0.00 H new ATOM 0 HA CYS A 88 0.970 -3.147 2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.122 -1.835 0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.238 -3.583 0.645 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.267 -1.088 3.104 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.822 0.196 3.496 1.00 0.00 C ATOM 1327 C GLN A 89 0.300 1.209 3.729 1.00 0.00 C ATOM 1328 O GLN A 89 1.007 1.141 4.733 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.700 0.055 4.743 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.227 1.418 5.198 1.00 0.00 C ATOM 1331 CD GLN A 89 -3.159 1.268 6.402 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -3.716 0.214 6.663 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.298 2.379 7.120 1.00 0.00 N ATOM 0 H GLN A 89 -0.006 -1.695 3.881 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.453 0.561 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.537 -0.610 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.125 -0.404 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.391 2.067 5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.760 1.899 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.803 3.228 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.899 2.382 7.944 1.00 0.00 H new ATOM 1342 N VAL A 90 0.426 2.131 2.784 1.00 0.00 N ATOM 1343 CA VAL A 90 1.449 3.159 2.872 1.00 0.00 C ATOM 1344 C VAL A 90 0.829 4.443 3.427 1.00 0.00 C ATOM 1345 O VAL A 90 -0.116 4.979 2.852 1.00 0.00 O ATOM 1346 CB VAL A 90 2.110 3.356 1.506 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.642 4.658 0.853 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.635 3.321 1.625 1.00 0.00 C ATOM 0 H VAL A 90 -0.164 2.187 1.954 1.00 0.00 H new ATOM 0 HA VAL A 90 2.238 2.856 3.560 1.00 0.00 H new ATOM 0 HB VAL A 90 1.804 2.530 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.127 4.774 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.561 4.629 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.904 5.501 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.080 3.463 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.966 4.117 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.946 2.357 2.028 1.00 0.00 H new ATOM 1358 N THR A 91 1.387 4.896 4.540 1.00 0.00 N ATOM 1359 CA THR A 91 0.901 6.107 5.180 1.00 0.00 C ATOM 1360 C THR A 91 1.774 7.302 4.792 1.00 0.00 C ATOM 1361 O THR A 91 2.864 7.131 4.248 1.00 0.00 O ATOM 1362 CB THR A 91 0.851 5.856 6.688 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.533 5.653 6.961 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.211 7.102 7.501 1.00 0.00 C ATOM 0 H THR A 91 2.170 4.447 5.015 1.00 0.00 H new ATOM 0 HA THR A 91 -0.105 6.356 4.843 1.00 0.00 H new ATOM 0 HB THR A 91 1.533 5.045 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.656 5.482 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.160 6.870 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.221 7.422 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.508 7.902 7.271 1.00 0.00 H new ATOM 1372 N TYR A 92 1.260 8.489 5.085 1.00 0.00 N ATOM 1373 CA TYR A 92 1.977 9.712 4.774 1.00 0.00 C ATOM 1374 C TYR A 92 1.921 10.695 5.944 1.00 0.00 C ATOM 1375 O TYR A 92 0.989 10.660 6.745 1.00 0.00 O ATOM 1376 CB TYR A 92 1.260 10.328 3.571 1.00 0.00 C ATOM 1377 CG TYR A 92 1.212 9.420 2.342 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.518 8.227 2.391 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.862 9.793 1.183 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.475 7.372 1.233 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.819 8.937 0.025 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.126 7.769 0.108 1.00 0.00 C ATOM 1383 OH TYR A 92 1.085 6.960 -0.986 1.00 0.00 O ATOM 0 H TYR A 92 0.355 8.628 5.535 1.00 0.00 H new ATOM 0 HA TYR A 92 3.027 9.499 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.241 10.584 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.758 11.259 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.008 7.935 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.403 10.727 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.063 6.436 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.325 9.216 -0.888 1.00 0.00 H new ATOM 0 HH TYR A 92 1.454 7.436 -1.759 1.00 0.00 H new ATOM 1393 N GLN A 93 2.933 11.549 6.007 1.00 0.00 N ATOM 1394 CA GLN A 93 3.010 12.539 7.068 1.00 0.00 C ATOM 1395 C GLN A 93 1.704 13.332 7.150 1.00 0.00 C ATOM 1396 O GLN A 93 1.404 13.938 8.179 1.00 0.00 O ATOM 1397 CB GLN A 93 4.204 13.473 6.861 1.00 0.00 C ATOM 1398 CG GLN A 93 4.143 14.146 5.488 1.00 0.00 C ATOM 1399 CD GLN A 93 3.461 15.514 5.577 1.00 0.00 C ATOM 1400 OE1 GLN A 93 3.847 16.379 6.344 1.00 0.00 O ATOM 1401 NE2 GLN A 93 2.428 15.657 4.752 1.00 0.00 N ATOM 0 H GLN A 93 3.705 11.576 5.341 1.00 0.00 H new ATOM 0 HA GLN A 93 3.157 12.018 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.215 14.233 7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.132 12.908 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.152 14.264 5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.599 13.509 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.158 14.891 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.906 16.533 4.736 1.00 0.00 H new ATOM 1410 N GLY A 94 0.960 13.301 6.054 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.309 14.009 5.990 1.00 0.00 C ATOM 1412 C GLY A 94 -1.260 13.338 4.998 1.00 0.00 C ATOM 1413 O GLY A 94 -2.051 14.011 4.338 1.00 0.00 O ATOM 0 H GLY A 94 1.211 12.797 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.767 14.033 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.138 15.044 5.693 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.154 12.020 4.924 1.00 0.00 N ATOM 1418 CA HIS A 95 -1.995 11.250 4.023 1.00 0.00 C ATOM 1419 C HIS A 95 -1.895 9.764 4.371 1.00 0.00 C ATOM 1420 O HIS A 95 -1.112 9.377 5.237 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.641 11.543 2.565 1.00 0.00 C ATOM 1422 CG HIS A 95 -2.815 11.458 1.618 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -3.783 12.443 1.535 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.165 10.498 0.715 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.671 12.081 0.622 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.286 10.875 0.114 1.00 0.00 N ATOM 0 H HIS A 95 -0.498 11.465 5.474 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.036 11.547 4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.207 12.541 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.874 10.840 2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.621 9.585 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.547 12.642 0.331 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.779 10.350 -0.609 1.00 0.00 H new ATOM 1434 N THR A 96 -2.700 8.971 3.678 1.00 0.00 N ATOM 1435 CA THR A 96 -2.712 7.535 3.902 1.00 0.00 C ATOM 1436 C THR A 96 -3.344 6.814 2.711 1.00 0.00 C ATOM 1437 O THR A 96 -4.194 7.375 2.021 1.00 0.00 O ATOM 1438 CB THR A 96 -3.432 7.271 5.225 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.215 5.882 5.466 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.953 7.394 5.099 1.00 0.00 C ATOM 0 H THR A 96 -3.349 9.296 2.961 1.00 0.00 H new ATOM 0 HA THR A 96 -1.700 7.138 3.980 1.00 0.00 H new ATOM 0 HB THR A 96 -3.073 7.970 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.374 5.762 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.415 7.197 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.211 8.401 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.317 6.671 4.369 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.904 5.581 2.506 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.416 4.778 1.409 1.00 0.00 C ATOM 1450 C PHE A 97 -3.074 3.299 1.606 1.00 0.00 C ATOM 1451 O PHE A 97 -2.194 2.963 2.397 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.741 5.279 0.132 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.585 5.102 -1.131 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.725 3.869 -1.686 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -4.194 6.177 -1.700 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.509 3.703 -2.859 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -4.978 6.011 -2.871 1.00 0.00 C ATOM 1458 CZ PHE A 97 -5.119 4.778 -3.427 1.00 0.00 C ATOM 0 H PHE A 97 -2.199 5.119 3.081 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.501 4.869 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.502 6.336 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.796 4.751 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.240 3.016 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.081 7.157 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.621 2.723 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.463 6.865 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.715 4.652 -4.319 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.788 2.457 0.875 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.571 1.022 0.958 1.00 0.00 C ATOM 1470 C GLU A 98 -4.008 0.342 -0.340 1.00 0.00 C ATOM 1471 O GLU A 98 -5.059 0.666 -0.892 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.303 0.427 2.162 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.909 -1.036 2.376 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.774 -1.685 3.458 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.433 -1.618 4.648 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.837 -2.275 3.025 1.00 0.00 O ATOM 0 H GLU A 98 -4.518 2.740 0.222 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.505 0.843 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.069 1.005 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.380 0.499 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.017 -1.586 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.859 -1.095 2.661 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.180 -0.588 -0.792 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.468 -1.317 -2.015 1.00 0.00 C ATOM 1486 C ASP A 99 -2.739 -2.661 -1.985 1.00 0.00 C ATOM 1487 O ASP A 99 -1.544 -2.720 -1.695 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.983 -0.544 -3.244 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.017 0.399 -3.863 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -3.717 1.140 -4.810 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -5.189 0.350 -3.326 1.00 0.00 O ATOM 0 H ASP A 99 -2.309 -0.854 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.547 -1.456 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.104 0.037 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.665 -1.259 -4.003 1.00 0.00 H new ATOM 1497 N SER A 100 -3.490 -3.712 -2.289 1.00 0.00 N ATOM 1498 CA SER A 100 -2.931 -5.053 -2.300 1.00 0.00 C ATOM 1499 C SER A 100 -3.954 -6.041 -2.862 1.00 0.00 C ATOM 1500 O SER A 100 -4.783 -5.676 -3.696 1.00 0.00 O ATOM 1501 CB SER A 100 -2.493 -5.479 -0.898 1.00 0.00 C ATOM 1502 OG SER A 100 -1.357 -6.339 -0.932 1.00 0.00 O ATOM 0 H SER A 100 -4.480 -3.661 -2.529 1.00 0.00 H new ATOM 0 HA SER A 100 -2.049 -5.051 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.260 -4.594 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.318 -5.988 -0.399 1.00 0.00 H new ATOM 0 HG SER A 100 -1.631 -7.252 -0.704 1.00 0.00 H new ATOM 1508 N THR A 101 -3.863 -7.274 -2.384 1.00 0.00 N ATOM 1509 CA THR A 101 -4.771 -8.317 -2.828 1.00 0.00 C ATOM 1510 C THR A 101 -5.311 -9.101 -1.629 1.00 0.00 C ATOM 1511 O THR A 101 -4.867 -8.897 -0.500 1.00 0.00 O ATOM 1512 CB THR A 101 -4.028 -9.191 -3.840 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.955 -10.228 -4.151 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.841 -9.929 -3.217 1.00 0.00 C ATOM 0 H THR A 101 -3.174 -7.573 -1.694 1.00 0.00 H new ATOM 0 HA THR A 101 -5.647 -7.895 -3.321 1.00 0.00 H new ATOM 0 HB THR A 101 -3.678 -8.571 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.554 -10.840 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.349 -10.535 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.132 -9.205 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.195 -10.574 -2.413 1.00 0.00 H new ATOM 1522 N LYS A 102 -6.259 -9.980 -1.916 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.863 -10.795 -0.875 1.00 0.00 C ATOM 1524 C LYS A 102 -7.745 -11.865 -1.521 1.00 0.00 C ATOM 1525 O LYS A 102 -8.457 -11.590 -2.485 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.604 -9.914 0.133 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.530 -8.927 -0.579 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.936 -9.508 -0.735 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.978 -8.617 -0.055 1.00 0.00 C ATOM 1530 NZ LYS A 102 -12.332 -9.192 -0.213 1.00 0.00 N ATOM 0 H LYS A 102 -6.624 -10.146 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.094 -11.316 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.185 -10.540 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.884 -9.368 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.578 -7.996 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.122 -8.684 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.175 -9.610 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.970 -10.508 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.741 -8.514 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.948 -7.617 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.028 -8.576 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.561 -9.268 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.361 -10.137 0.221 1.00 0.00 H new