USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 172:sc= 0.409 (180deg=0.178) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= 0.464 (180deg=-1.51!) USER MOD Single : A 9 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -5.91! C(o=-5.9!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.102 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.11) USER MOD Single : A 27 THR OG1 : rot -126:sc= -0.0194 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc=-0.00404 (180deg=-1.38!) USER MOD Single : A 29 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.41) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.8!) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.69 F(o=-5.2!,f=-1.7) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 54 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.787 K(o=-0.79,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.737 -13.212 -5.215 1.00 0.00 N ATOM 2 CA VAL A 1 -0.998 -12.114 -4.520 1.00 0.00 C ATOM 3 C VAL A 1 -1.046 -10.946 -5.512 1.00 0.00 C ATOM 4 O VAL A 1 -1.376 -11.205 -6.654 1.00 0.00 O ATOM 5 CB VAL A 1 0.493 -12.512 -4.272 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.615 -13.695 -3.346 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.215 -12.813 -5.567 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.640 -14.094 -4.672 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.743 -12.960 -5.290 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.342 -13.347 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.434 -11.882 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 1 0.961 -11.649 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.668 -13.937 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.163 -13.452 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.102 -14.552 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.248 -13.086 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.720 -13.640 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.198 -11.931 -6.207 1.00 0.00 H new ATOM 19 N ARG A 2 -0.746 -9.730 -5.129 1.00 0.00 N ATOM 20 CA ARG A 2 -0.781 -8.611 -6.121 1.00 0.00 C ATOM 21 C ARG A 2 0.255 -7.544 -5.810 1.00 0.00 C ATOM 22 O ARG A 2 0.868 -7.560 -4.767 1.00 0.00 O ATOM 23 CB ARG A 2 -2.192 -7.958 -6.161 1.00 0.00 C ATOM 24 CG ARG A 2 -2.683 -7.532 -4.774 1.00 0.00 C ATOM 25 CD ARG A 2 -3.286 -8.727 -4.022 1.00 0.00 C ATOM 26 NE ARG A 2 -4.294 -8.230 -3.018 1.00 0.00 N ATOM 27 CZ ARG A 2 -5.374 -8.908 -2.719 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.591 -10.102 -3.197 1.00 0.00 N ATOM 29 NH2 ARG A 2 -6.226 -8.357 -1.915 1.00 0.00 N ATOM 0 H ARG A 2 -0.480 -9.465 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.548 -9.043 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.167 -7.088 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.902 -8.663 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.854 -7.116 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.429 -6.744 -4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.763 -9.410 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.499 -9.287 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.130 -7.336 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.910 -10.533 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.442 -10.605 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.044 -7.427 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.079 -8.853 -1.658 1.00 0.00 H new ATOM 43 N ASP A 3 0.413 -6.647 -6.730 1.00 0.00 N ATOM 44 CA ASP A 3 1.378 -5.530 -6.555 1.00 0.00 C ATOM 45 C ASP A 3 0.292 -4.479 -6.552 1.00 0.00 C ATOM 46 O ASP A 3 -0.548 -4.456 -7.443 1.00 0.00 O ATOM 47 CB ASP A 3 2.326 -5.412 -7.758 1.00 0.00 C ATOM 48 CG ASP A 3 3.497 -6.386 -7.566 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.235 -7.534 -7.241 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.600 -5.908 -7.749 1.00 0.00 O ATOM 0 H ASP A 3 -0.094 -6.637 -7.615 1.00 0.00 H new ATOM 0 HA ASP A 3 2.077 -5.549 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.793 -5.640 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.696 -4.391 -7.848 1.00 0.00 H new ATOM 55 N ALA A 4 0.334 -3.643 -5.549 1.00 0.00 N ATOM 56 CA ALA A 4 -0.704 -2.561 -5.423 1.00 0.00 C ATOM 57 C ALA A 4 -0.437 -1.607 -4.245 1.00 0.00 C ATOM 58 O ALA A 4 0.522 -1.764 -3.507 1.00 0.00 O ATOM 59 CB ALA A 4 -2.053 -3.207 -5.200 1.00 0.00 C ATOM 0 H ALA A 4 1.037 -3.657 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.672 -1.977 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.816 -2.434 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.292 -3.852 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.025 -3.801 -4.287 1.00 0.00 H new ATOM 65 N TYR A 5 -1.316 -0.635 -4.095 1.00 0.00 N ATOM 66 CA TYR A 5 -1.194 0.354 -2.986 1.00 0.00 C ATOM 67 C TYR A 5 -1.942 -0.489 -1.942 1.00 0.00 C ATOM 68 O TYR A 5 -3.033 -0.958 -2.214 1.00 0.00 O ATOM 69 CB TYR A 5 -1.974 1.622 -3.306 1.00 0.00 C ATOM 70 CG TYR A 5 -1.253 2.576 -4.282 1.00 0.00 C ATOM 71 CD1 TYR A 5 -0.001 3.073 -3.974 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.837 2.962 -5.478 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.639 3.931 -4.839 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.180 3.826 -6.341 1.00 0.00 C ATOM 75 CZ TYR A 5 0.068 4.317 -6.020 1.00 0.00 C ATOM 76 OH TYR A 5 0.766 5.179 -6.844 1.00 0.00 O ATOM 0 H TYR A 5 -2.120 -0.491 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.194 0.705 -2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.938 1.345 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.177 2.155 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.478 2.787 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.815 2.586 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.617 4.309 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.648 4.116 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 5 0.236 5.364 -7.647 1.00 0.00 H new ATOM 86 N ILE A 6 -1.360 -0.642 -0.791 1.00 0.00 N ATOM 87 CA ILE A 6 -2.045 -1.464 0.276 1.00 0.00 C ATOM 88 C ILE A 6 -3.169 -0.655 0.925 1.00 0.00 C ATOM 89 O ILE A 6 -3.131 0.560 0.890 1.00 0.00 O ATOM 90 CB ILE A 6 -0.950 -1.898 1.311 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.486 -2.616 2.593 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.016 -0.775 1.686 1.00 0.00 C ATOM 93 CD1 ILE A 6 -1.012 -4.047 2.643 1.00 0.00 C ATOM 0 H ILE A 6 -0.456 -0.247 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.511 -2.354 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.385 -2.652 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.146 -2.084 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.576 -2.589 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.719 -1.138 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.496 -0.415 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.587 0.040 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.397 -4.527 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.374 -4.581 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.078 -4.069 2.658 1.00 0.00 H new ATOM 105 N ALA A 7 -4.142 -1.304 1.520 1.00 0.00 N ATOM 106 CA ALA A 7 -5.239 -0.480 2.149 1.00 0.00 C ATOM 107 C ALA A 7 -4.973 -0.168 3.611 1.00 0.00 C ATOM 108 O ALA A 7 -4.048 -0.703 4.188 1.00 0.00 O ATOM 109 CB ALA A 7 -6.548 -1.218 2.079 1.00 0.00 C ATOM 0 H ALA A 7 -4.231 -2.317 1.600 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.275 0.454 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.331 -0.613 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.801 -1.412 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.461 -2.164 2.614 1.00 0.00 H new ATOM 115 N LYS A 8 -5.791 0.693 4.169 1.00 0.00 N ATOM 116 CA LYS A 8 -5.586 1.050 5.593 1.00 0.00 C ATOM 117 C LYS A 8 -6.646 0.510 6.523 1.00 0.00 C ATOM 118 O LYS A 8 -6.390 -0.391 7.293 1.00 0.00 O ATOM 119 CB LYS A 8 -5.574 2.540 5.739 1.00 0.00 C ATOM 120 CG LYS A 8 -4.639 2.934 6.878 1.00 0.00 C ATOM 121 CD LYS A 8 -4.901 4.408 7.132 1.00 0.00 C ATOM 122 CE LYS A 8 -3.975 4.965 8.194 1.00 0.00 C ATOM 123 NZ LYS A 8 -3.678 6.367 7.841 1.00 0.00 N ATOM 0 H LYS A 8 -6.575 1.152 3.704 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.636 0.597 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.246 3.004 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.582 2.904 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.838 2.341 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.597 2.762 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.770 4.966 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.937 4.546 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.443 4.909 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.056 4.381 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.653 6.481 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.174 6.616 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.997 6.993 8.608 1.00 0.00 H new ATOM 137 N ASN A 9 -7.813 1.097 6.434 1.00 0.00 N ATOM 138 CA ASN A 9 -8.928 0.649 7.310 1.00 0.00 C ATOM 139 C ASN A 9 -10.322 0.942 6.730 1.00 0.00 C ATOM 140 O ASN A 9 -11.166 0.072 6.745 1.00 0.00 O ATOM 141 CB ASN A 9 -8.722 1.354 8.673 1.00 0.00 C ATOM 142 CG ASN A 9 -9.157 0.471 9.857 1.00 0.00 C ATOM 143 OD1 ASN A 9 -8.593 0.548 10.927 1.00 0.00 O ATOM 144 ND2 ASN A 9 -10.139 -0.382 9.759 1.00 0.00 N ATOM 0 H ASN A 9 -8.037 1.861 5.796 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.901 -0.436 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.671 1.620 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.290 2.284 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.403 -0.950 10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.643 -0.481 8.878 1.00 0.00 H new ATOM 151 N TYR A 10 -10.529 2.152 6.242 1.00 0.00 N ATOM 152 CA TYR A 10 -11.862 2.540 5.665 1.00 0.00 C ATOM 153 C TYR A 10 -11.879 3.196 4.261 1.00 0.00 C ATOM 154 O TYR A 10 -12.411 4.277 4.075 1.00 0.00 O ATOM 155 CB TYR A 10 -12.542 3.469 6.734 1.00 0.00 C ATOM 156 CG TYR A 10 -13.649 2.713 7.518 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.858 2.423 6.915 1.00 0.00 C ATOM 158 CD2 TYR A 10 -13.461 2.317 8.828 1.00 0.00 C ATOM 159 CE1 TYR A 10 -15.855 1.758 7.596 1.00 0.00 C ATOM 160 CE2 TYR A 10 -14.460 1.650 9.509 1.00 0.00 C ATOM 161 CZ TYR A 10 -15.662 1.365 8.900 1.00 0.00 C ATOM 162 OH TYR A 10 -16.655 0.697 9.588 1.00 0.00 O ATOM 0 H TYR A 10 -9.825 2.890 6.220 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.404 1.614 5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.788 3.838 7.430 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.974 4.340 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.025 2.723 5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -12.525 2.531 9.323 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.792 1.545 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -14.297 1.348 10.533 1.00 0.00 H new ATOM 0 HH TYR A 10 -16.345 0.496 10.496 1.00 0.00 H new ATOM 172 N ASN A 11 -11.290 2.499 3.319 1.00 0.00 N ATOM 173 CA ASN A 11 -11.204 2.939 1.867 1.00 0.00 C ATOM 174 C ASN A 11 -10.049 3.909 1.539 1.00 0.00 C ATOM 175 O ASN A 11 -10.013 4.667 0.581 1.00 0.00 O ATOM 176 CB ASN A 11 -12.625 3.530 1.517 1.00 0.00 C ATOM 177 CG ASN A 11 -12.785 3.765 0.047 1.00 0.00 C ATOM 178 OD1 ASN A 11 -12.485 4.814 -0.473 1.00 0.00 O ATOM 179 ND2 ASN A 11 -13.248 2.805 -0.692 1.00 0.00 N ATOM 0 H ASN A 11 -10.842 1.600 3.496 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.953 2.082 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.399 2.844 1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.770 4.468 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.354 2.941 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.506 1.914 -0.268 1.00 0.00 H new ATOM 186 N CYS A 12 -9.087 3.795 2.406 1.00 0.00 N ATOM 187 CA CYS A 12 -7.847 4.599 2.350 1.00 0.00 C ATOM 188 C CYS A 12 -6.697 3.597 2.351 1.00 0.00 C ATOM 189 O CYS A 12 -6.933 2.408 2.420 1.00 0.00 O ATOM 190 CB CYS A 12 -7.888 5.457 3.578 1.00 0.00 C ATOM 191 SG CYS A 12 -9.471 6.282 3.847 1.00 0.00 S ATOM 0 H CYS A 12 -9.117 3.142 3.189 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.733 5.239 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.659 4.840 4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.104 6.211 3.508 1.00 0.00 H new ATOM 196 N VAL A 13 -5.502 4.096 2.265 1.00 0.00 N ATOM 197 CA VAL A 13 -4.269 3.250 2.259 1.00 0.00 C ATOM 198 C VAL A 13 -3.320 3.671 3.420 1.00 0.00 C ATOM 199 O VAL A 13 -3.745 4.436 4.267 1.00 0.00 O ATOM 200 CB VAL A 13 -3.696 3.432 0.826 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.695 2.861 -0.155 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.583 4.892 0.452 1.00 0.00 C ATOM 0 H VAL A 13 -5.316 5.096 2.196 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.440 2.191 2.451 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.719 2.950 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.315 2.977 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.848 1.803 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.643 3.391 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.179 4.979 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.569 5.354 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.919 5.397 1.154 1.00 0.00 H new ATOM 212 N TYR A 14 -2.097 3.208 3.489 1.00 0.00 N ATOM 213 CA TYR A 14 -1.200 3.618 4.618 1.00 0.00 C ATOM 214 C TYR A 14 -0.370 4.800 4.167 1.00 0.00 C ATOM 215 O TYR A 14 -0.434 5.151 3.010 1.00 0.00 O ATOM 216 CB TYR A 14 -0.253 2.504 4.971 1.00 0.00 C ATOM 217 CG TYR A 14 -0.899 1.361 5.802 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.990 1.497 7.177 1.00 0.00 C ATOM 219 CD2 TYR A 14 -1.388 0.201 5.234 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.552 0.501 7.955 1.00 0.00 C ATOM 221 CE2 TYR A 14 -1.947 -0.791 6.016 1.00 0.00 C ATOM 222 CZ TYR A 14 -2.034 -0.651 7.379 1.00 0.00 C ATOM 223 OH TYR A 14 -2.597 -1.641 8.161 1.00 0.00 O ATOM 0 H TYR A 14 -1.680 2.566 2.815 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.815 3.865 5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.156 2.084 4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.585 2.918 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.617 2.394 7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.333 0.068 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.613 0.629 9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.321 -1.690 5.548 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.886 -2.384 7.591 1.00 0.00 H new ATOM 233 N GLU A 15 0.390 5.383 5.054 1.00 0.00 N ATOM 234 CA GLU A 15 1.202 6.541 4.619 1.00 0.00 C ATOM 235 C GLU A 15 2.667 6.275 4.896 1.00 0.00 C ATOM 236 O GLU A 15 3.025 5.772 5.945 1.00 0.00 O ATOM 237 CB GLU A 15 0.748 7.771 5.395 1.00 0.00 C ATOM 238 CG GLU A 15 -0.765 8.004 5.200 1.00 0.00 C ATOM 239 CD GLU A 15 -1.312 8.513 6.523 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.654 7.597 7.242 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.358 9.708 6.760 1.00 0.00 O ATOM 0 H GLU A 15 0.480 5.113 6.034 1.00 0.00 H new ATOM 0 HA GLU A 15 1.071 6.705 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.969 7.642 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.303 8.646 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.944 8.728 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.263 7.079 4.907 1.00 0.00 H new ATOM 248 N CYS A 16 3.455 6.627 3.922 1.00 0.00 N ATOM 249 CA CYS A 16 4.920 6.439 4.052 1.00 0.00 C ATOM 250 C CYS A 16 5.656 7.592 3.366 1.00 0.00 C ATOM 251 O CYS A 16 5.146 8.245 2.473 1.00 0.00 O ATOM 252 CB CYS A 16 5.253 5.085 3.431 1.00 0.00 C ATOM 253 SG CYS A 16 4.472 4.722 1.845 1.00 0.00 S ATOM 0 H CYS A 16 3.145 7.037 3.041 1.00 0.00 H new ATOM 0 HA CYS A 16 5.239 6.447 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.334 5.023 3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.971 4.305 4.138 1.00 0.00 H new ATOM 258 N PHE A 17 6.854 7.793 3.848 1.00 0.00 N ATOM 259 CA PHE A 17 7.763 8.870 3.327 1.00 0.00 C ATOM 260 C PHE A 17 9.132 8.313 2.967 1.00 0.00 C ATOM 261 O PHE A 17 10.012 9.035 2.541 1.00 0.00 O ATOM 262 CB PHE A 17 7.956 9.963 4.385 1.00 0.00 C ATOM 263 CG PHE A 17 6.722 10.868 4.513 1.00 0.00 C ATOM 264 CD1 PHE A 17 6.521 11.914 3.629 1.00 0.00 C ATOM 265 CD2 PHE A 17 5.796 10.652 5.513 1.00 0.00 C ATOM 266 CE1 PHE A 17 5.409 12.727 3.748 1.00 0.00 C ATOM 267 CE2 PHE A 17 4.689 11.462 5.630 1.00 0.00 C ATOM 268 CZ PHE A 17 4.494 12.501 4.749 1.00 0.00 C ATOM 0 H PHE A 17 7.257 7.240 4.605 1.00 0.00 H new ATOM 0 HA PHE A 17 7.293 9.283 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.167 9.500 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.824 10.569 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.237 12.096 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.941 9.840 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.259 13.541 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.971 11.281 6.416 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.626 13.136 4.843 1.00 0.00 H new ATOM 278 N ARG A 18 9.276 7.032 3.162 1.00 0.00 N ATOM 279 CA ARG A 18 10.554 6.323 2.862 1.00 0.00 C ATOM 280 C ARG A 18 10.131 5.048 2.147 1.00 0.00 C ATOM 281 O ARG A 18 8.958 4.742 2.076 1.00 0.00 O ATOM 282 CB ARG A 18 11.334 5.947 4.176 1.00 0.00 C ATOM 283 CG ARG A 18 11.661 7.171 5.095 1.00 0.00 C ATOM 284 CD ARG A 18 12.441 8.265 4.295 1.00 0.00 C ATOM 285 NE ARG A 18 13.382 9.068 5.165 1.00 0.00 N ATOM 286 CZ ARG A 18 13.034 9.662 6.275 1.00 0.00 C ATOM 287 NH1 ARG A 18 11.791 10.018 6.411 1.00 0.00 N ATOM 288 NH2 ARG A 18 13.946 9.874 7.186 1.00 0.00 N ATOM 0 H ARG A 18 8.539 6.429 3.528 1.00 0.00 H new ATOM 0 HA ARG A 18 11.221 6.951 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.744 5.227 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.266 5.451 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.737 7.592 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.255 6.844 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.009 7.788 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.728 8.939 3.820 1.00 0.00 H new ATOM 0 HE ARG A 18 14.353 9.151 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.122 9.831 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.485 10.484 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.908 9.577 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.696 10.336 8.060 1.00 0.00 H new ATOM 302 N ASP A 19 11.117 4.352 1.673 1.00 0.00 N ATOM 303 CA ASP A 19 10.852 3.087 0.949 1.00 0.00 C ATOM 304 C ASP A 19 10.972 1.968 1.966 1.00 0.00 C ATOM 305 O ASP A 19 10.127 1.108 2.091 1.00 0.00 O ATOM 306 CB ASP A 19 11.885 3.010 -0.170 1.00 0.00 C ATOM 307 CG ASP A 19 11.311 2.187 -1.323 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.191 2.512 -1.675 1.00 0.00 O ATOM 309 OD2 ASP A 19 12.006 1.304 -1.790 1.00 0.00 O ATOM 0 H ASP A 19 12.101 4.606 1.756 1.00 0.00 H new ATOM 0 HA ASP A 19 9.862 3.017 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.142 4.012 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.804 2.553 0.197 1.00 0.00 H new ATOM 314 N SER A 20 12.059 2.026 2.685 1.00 0.00 N ATOM 315 CA SER A 20 12.373 1.027 3.752 1.00 0.00 C ATOM 316 C SER A 20 11.120 0.607 4.520 1.00 0.00 C ATOM 317 O SER A 20 10.734 -0.543 4.567 1.00 0.00 O ATOM 318 CB SER A 20 13.414 1.668 4.717 1.00 0.00 C ATOM 319 OG SER A 20 12.875 2.965 5.021 1.00 0.00 O ATOM 0 H SER A 20 12.769 2.750 2.574 1.00 0.00 H new ATOM 0 HA SER A 20 12.778 0.125 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.540 1.069 5.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.395 1.746 4.247 1.00 0.00 H new ATOM 0 HG SER A 20 13.480 3.435 5.632 1.00 0.00 H new ATOM 325 N TYR A 21 10.550 1.618 5.105 1.00 0.00 N ATOM 326 CA TYR A 21 9.313 1.475 5.918 1.00 0.00 C ATOM 327 C TYR A 21 8.393 0.474 5.251 1.00 0.00 C ATOM 328 O TYR A 21 7.863 -0.414 5.883 1.00 0.00 O ATOM 329 CB TYR A 21 8.630 2.833 6.011 1.00 0.00 C ATOM 330 CG TYR A 21 8.077 3.012 7.420 1.00 0.00 C ATOM 331 CD1 TYR A 21 8.934 3.348 8.441 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.739 2.835 7.681 1.00 0.00 C ATOM 333 CE1 TYR A 21 8.460 3.506 9.716 1.00 0.00 C ATOM 334 CE2 TYR A 21 6.260 2.994 8.956 1.00 0.00 C ATOM 335 CZ TYR A 21 7.118 3.330 9.980 1.00 0.00 C ATOM 336 OH TYR A 21 6.635 3.495 11.257 1.00 0.00 O ATOM 0 H TYR A 21 10.904 2.573 5.051 1.00 0.00 H new ATOM 0 HA TYR A 21 9.556 1.121 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.339 3.628 5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.825 2.901 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.985 3.488 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.064 2.570 6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.137 3.769 10.515 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.208 2.856 9.158 1.00 0.00 H new ATOM 0 HH TYR A 21 5.668 3.334 11.264 1.00 0.00 H new ATOM 346 N CYS A 22 8.261 0.667 3.965 1.00 0.00 N ATOM 347 CA CYS A 22 7.380 -0.244 3.198 1.00 0.00 C ATOM 348 C CYS A 22 8.048 -1.584 3.162 1.00 0.00 C ATOM 349 O CYS A 22 7.421 -2.560 3.507 1.00 0.00 O ATOM 350 CB CYS A 22 7.172 0.180 1.760 1.00 0.00 C ATOM 351 SG CYS A 22 5.487 -0.267 1.306 1.00 0.00 S ATOM 0 H CYS A 22 8.718 1.403 3.426 1.00 0.00 H new ATOM 0 HA CYS A 22 6.407 -0.244 3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.327 1.253 1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.890 -0.315 1.106 1.00 0.00 H new ATOM 356 N ASN A 23 9.284 -1.578 2.735 1.00 0.00 N ATOM 357 CA ASN A 23 10.076 -2.849 2.659 1.00 0.00 C ATOM 358 C ASN A 23 9.814 -3.675 3.943 1.00 0.00 C ATOM 359 O ASN A 23 9.918 -4.884 3.909 1.00 0.00 O ATOM 360 CB ASN A 23 11.601 -2.565 2.544 1.00 0.00 C ATOM 361 CG ASN A 23 12.318 -3.905 2.489 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.792 -4.429 3.470 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.409 -4.499 1.344 1.00 0.00 N ATOM 0 H ASN A 23 9.785 -0.743 2.433 1.00 0.00 H new ATOM 0 HA ASN A 23 9.764 -3.397 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.815 -1.980 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.947 -1.981 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.878 -5.402 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.012 -4.064 0.511 1.00 0.00 H new ATOM 370 N ASP A 24 9.502 -3.008 5.030 1.00 0.00 N ATOM 371 CA ASP A 24 9.212 -3.693 6.320 1.00 0.00 C ATOM 372 C ASP A 24 7.683 -3.979 6.369 1.00 0.00 C ATOM 373 O ASP A 24 7.212 -5.087 6.534 1.00 0.00 O ATOM 374 CB ASP A 24 9.658 -2.747 7.454 1.00 0.00 C ATOM 375 CG ASP A 24 10.806 -3.401 8.222 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.502 -4.389 8.871 1.00 0.00 O ATOM 377 OD2 ASP A 24 11.907 -2.887 8.113 1.00 0.00 O ATOM 0 H ASP A 24 9.436 -1.991 5.072 1.00 0.00 H new ATOM 0 HA ASP A 24 9.742 -4.639 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.977 -1.790 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.823 -2.543 8.125 1.00 0.00 H new ATOM 382 N LEU A 25 6.910 -2.943 6.233 1.00 0.00 N ATOM 383 CA LEU A 25 5.398 -2.988 6.240 1.00 0.00 C ATOM 384 C LEU A 25 4.714 -4.012 5.330 1.00 0.00 C ATOM 385 O LEU A 25 3.838 -4.758 5.729 1.00 0.00 O ATOM 386 CB LEU A 25 4.887 -1.590 5.844 1.00 0.00 C ATOM 387 CG LEU A 25 3.330 -1.502 5.665 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.725 -1.424 7.040 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.895 -0.340 4.802 1.00 0.00 C ATOM 0 H LEU A 25 7.279 -2.000 6.108 1.00 0.00 H new ATOM 0 HA LEU A 25 5.137 -3.305 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.195 -0.873 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.366 -1.291 4.912 1.00 0.00 H new ATOM 0 HG LEU A 25 2.980 -2.388 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.640 -1.361 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.995 -2.315 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.101 -0.539 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.808 -0.336 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.227 0.594 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.335 -0.439 3.810 1.00 0.00 H new ATOM 401 N CYS A 26 5.134 -3.998 4.105 1.00 0.00 N ATOM 402 CA CYS A 26 4.541 -4.933 3.094 1.00 0.00 C ATOM 403 C CYS A 26 4.864 -6.391 3.341 1.00 0.00 C ATOM 404 O CYS A 26 4.030 -7.285 3.350 1.00 0.00 O ATOM 405 CB CYS A 26 5.046 -4.474 1.730 1.00 0.00 C ATOM 406 SG CYS A 26 4.361 -2.916 1.133 1.00 0.00 S ATOM 0 H CYS A 26 5.864 -3.381 3.748 1.00 0.00 H new ATOM 0 HA CYS A 26 3.454 -4.888 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.131 -4.380 1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.825 -5.252 0.999 1.00 0.00 H new ATOM 411 N THR A 27 6.124 -6.588 3.551 1.00 0.00 N ATOM 412 CA THR A 27 6.670 -7.934 3.807 1.00 0.00 C ATOM 413 C THR A 27 5.920 -8.403 5.046 1.00 0.00 C ATOM 414 O THR A 27 5.415 -9.505 5.029 1.00 0.00 O ATOM 415 CB THR A 27 8.163 -7.707 3.953 1.00 0.00 C ATOM 416 OG1 THR A 27 8.182 -6.696 4.945 1.00 0.00 O ATOM 417 CG2 THR A 27 8.691 -7.040 2.703 1.00 0.00 C ATOM 0 H THR A 27 6.822 -5.844 3.556 1.00 0.00 H new ATOM 0 HA THR A 27 6.545 -8.709 3.050 1.00 0.00 H new ATOM 0 HB THR A 27 8.726 -8.618 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.700 -5.930 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.764 -6.875 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.502 -7.680 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.189 -6.083 2.561 1.00 0.00 H new ATOM 425 N LYS A 28 5.861 -7.585 6.071 1.00 0.00 N ATOM 426 CA LYS A 28 5.127 -7.961 7.314 1.00 0.00 C ATOM 427 C LYS A 28 3.755 -8.600 6.982 1.00 0.00 C ATOM 428 O LYS A 28 3.266 -9.424 7.731 1.00 0.00 O ATOM 429 CB LYS A 28 4.982 -6.678 8.176 1.00 0.00 C ATOM 430 CG LYS A 28 4.225 -6.938 9.530 1.00 0.00 C ATOM 431 CD LYS A 28 2.675 -6.875 9.320 1.00 0.00 C ATOM 432 CE LYS A 28 2.010 -8.181 9.857 1.00 0.00 C ATOM 433 NZ LYS A 28 0.726 -8.440 9.124 1.00 0.00 N ATOM 0 H LYS A 28 6.297 -6.663 6.096 1.00 0.00 H new ATOM 0 HA LYS A 28 5.679 -8.717 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.972 -6.275 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.446 -5.920 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.504 -7.914 9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.527 -6.196 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.264 -6.008 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.448 -6.750 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.689 -9.024 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.816 -8.088 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.051 -8.536 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.526 -7.646 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.812 -9.318 8.573 1.00 0.00 H new ATOM 447 N ASN A 29 3.143 -8.220 5.885 1.00 0.00 N ATOM 448 CA ASN A 29 1.806 -8.834 5.545 1.00 0.00 C ATOM 449 C ASN A 29 1.986 -10.144 4.761 1.00 0.00 C ATOM 450 O ASN A 29 1.142 -11.021 4.729 1.00 0.00 O ATOM 451 CB ASN A 29 0.972 -7.859 4.688 1.00 0.00 C ATOM 452 CG ASN A 29 -0.346 -7.647 5.420 1.00 0.00 C ATOM 453 OD1 ASN A 29 -0.947 -8.560 5.947 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.858 -6.461 5.500 1.00 0.00 N ATOM 0 H ASN A 29 3.495 -7.530 5.222 1.00 0.00 H new ATOM 0 HA ASN A 29 1.291 -9.042 6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.498 -6.913 4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.800 -8.269 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.739 -6.318 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.381 -5.669 5.069 1.00 0.00 H new ATOM 461 N GLY A 30 3.123 -10.191 4.145 1.00 0.00 N ATOM 462 CA GLY A 30 3.570 -11.342 3.314 1.00 0.00 C ATOM 463 C GLY A 30 3.941 -10.901 1.904 1.00 0.00 C ATOM 464 O GLY A 30 3.951 -11.712 0.997 1.00 0.00 O ATOM 0 H GLY A 30 3.804 -9.433 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.429 -11.820 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.776 -12.088 3.266 1.00 0.00 H new ATOM 468 N ALA A 31 4.230 -9.635 1.728 1.00 0.00 N ATOM 469 CA ALA A 31 4.609 -9.180 0.361 1.00 0.00 C ATOM 470 C ALA A 31 5.993 -9.764 0.086 1.00 0.00 C ATOM 471 O ALA A 31 6.706 -10.128 1.005 1.00 0.00 O ATOM 472 CB ALA A 31 4.717 -7.680 0.308 1.00 0.00 C ATOM 0 H ALA A 31 4.220 -8.916 2.452 1.00 0.00 H new ATOM 0 HA ALA A 31 3.861 -9.499 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.995 -7.371 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.757 -7.237 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.478 -7.345 1.013 1.00 0.00 H new ATOM 478 N SER A 32 6.328 -9.808 -1.170 1.00 0.00 N ATOM 479 CA SER A 32 7.657 -10.363 -1.540 1.00 0.00 C ATOM 480 C SER A 32 8.578 -9.136 -1.562 1.00 0.00 C ATOM 481 O SER A 32 9.697 -9.204 -1.090 1.00 0.00 O ATOM 482 CB SER A 32 7.579 -11.044 -2.915 1.00 0.00 C ATOM 483 OG SER A 32 8.844 -11.675 -3.091 1.00 0.00 O ATOM 0 H SER A 32 5.749 -9.489 -1.947 1.00 0.00 H new ATOM 0 HA SER A 32 8.017 -11.126 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.768 -11.771 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.388 -10.317 -3.704 1.00 0.00 H new ATOM 0 HG SER A 32 8.863 -12.134 -3.956 1.00 0.00 H new ATOM 489 N SER A 33 8.098 -8.044 -2.108 1.00 0.00 N ATOM 490 CA SER A 33 8.964 -6.819 -2.144 1.00 0.00 C ATOM 491 C SER A 33 8.061 -5.689 -1.605 1.00 0.00 C ATOM 492 O SER A 33 6.848 -5.822 -1.649 1.00 0.00 O ATOM 493 CB SER A 33 9.432 -6.593 -3.621 1.00 0.00 C ATOM 494 OG SER A 33 10.667 -5.883 -3.491 1.00 0.00 O ATOM 0 H SER A 33 7.170 -7.946 -2.520 1.00 0.00 H new ATOM 0 HA SER A 33 9.872 -6.882 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.569 -7.539 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.700 -6.018 -4.188 1.00 0.00 H new ATOM 0 HG SER A 33 11.034 -5.700 -4.381 1.00 0.00 H new ATOM 500 N GLY A 34 8.654 -4.623 -1.120 1.00 0.00 N ATOM 501 CA GLY A 34 7.871 -3.463 -0.563 1.00 0.00 C ATOM 502 C GLY A 34 8.544 -2.147 -0.955 1.00 0.00 C ATOM 503 O GLY A 34 9.754 -2.090 -0.873 1.00 0.00 O ATOM 0 H GLY A 34 9.666 -4.502 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.849 -3.487 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.810 -3.541 0.522 1.00 0.00 H new ATOM 507 N TYR A 35 7.780 -1.167 -1.371 1.00 0.00 N ATOM 508 CA TYR A 35 8.317 0.182 -1.783 1.00 0.00 C ATOM 509 C TYR A 35 7.210 1.176 -1.398 1.00 0.00 C ATOM 510 O TYR A 35 6.125 0.738 -1.091 1.00 0.00 O ATOM 511 CB TYR A 35 8.553 0.086 -3.308 1.00 0.00 C ATOM 512 CG TYR A 35 8.930 1.365 -4.066 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.951 2.267 -4.402 1.00 0.00 C ATOM 514 CD2 TYR A 35 10.233 1.626 -4.427 1.00 0.00 C ATOM 515 CE1 TYR A 35 8.258 3.411 -5.092 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.542 2.773 -5.116 1.00 0.00 C ATOM 517 CZ TYR A 35 9.557 3.669 -5.450 1.00 0.00 C ATOM 518 OH TYR A 35 9.880 4.820 -6.138 1.00 0.00 O ATOM 0 H TYR A 35 6.766 -1.244 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 35 9.251 0.494 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.343 -0.646 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.646 -0.314 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.927 2.073 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 35 11.014 0.927 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.477 4.109 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.566 2.971 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 35 10.845 4.840 -6.308 1.00 0.00 H new ATOM 528 N CYS A 36 7.409 2.460 -1.412 1.00 0.00 N ATOM 529 CA CYS A 36 6.282 3.378 -1.030 1.00 0.00 C ATOM 530 C CYS A 36 5.930 4.116 -2.317 1.00 0.00 C ATOM 531 O CYS A 36 6.834 4.501 -3.026 1.00 0.00 O ATOM 532 CB CYS A 36 6.780 4.337 0.029 1.00 0.00 C ATOM 533 SG CYS A 36 5.654 5.663 0.512 1.00 0.00 S ATOM 0 H CYS A 36 8.285 2.918 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 36 5.414 2.859 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.030 3.761 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.705 4.789 -0.328 1.00 0.00 H new ATOM 538 N GLN A 37 4.683 4.327 -2.629 1.00 0.00 N ATOM 539 CA GLN A 37 4.348 5.037 -3.891 1.00 0.00 C ATOM 540 C GLN A 37 3.160 5.984 -3.693 1.00 0.00 C ATOM 541 O GLN A 37 2.431 5.882 -2.729 1.00 0.00 O ATOM 542 CB GLN A 37 4.106 3.895 -4.882 1.00 0.00 C ATOM 543 CG GLN A 37 3.907 4.299 -6.369 1.00 0.00 C ATOM 544 CD GLN A 37 5.127 5.061 -6.857 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.417 6.148 -6.404 1.00 0.00 O ATOM 546 NE2 GLN A 37 5.889 4.557 -7.772 1.00 0.00 N ATOM 0 H GLN A 37 3.883 4.039 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 37 5.129 5.704 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.951 3.209 -4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.224 3.343 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.752 3.410 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.015 4.916 -6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.671 3.644 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.709 5.072 -8.094 1.00 0.00 H new ATOM 555 N TRP A 38 2.920 6.909 -4.570 1.00 0.00 N ATOM 556 CA TRP A 38 1.738 7.802 -4.334 1.00 0.00 C ATOM 557 C TRP A 38 1.061 8.183 -5.630 1.00 0.00 C ATOM 558 O TRP A 38 1.654 8.075 -6.683 1.00 0.00 O ATOM 559 CB TRP A 38 2.227 9.045 -3.528 1.00 0.00 C ATOM 560 CG TRP A 38 3.646 9.428 -3.901 1.00 0.00 C ATOM 561 CD1 TRP A 38 4.103 9.611 -5.164 1.00 0.00 C ATOM 562 CD2 TRP A 38 4.651 9.636 -3.016 1.00 0.00 C ATOM 563 NE1 TRP A 38 5.371 9.923 -4.972 1.00 0.00 N ATOM 564 CE2 TRP A 38 5.796 9.965 -3.721 1.00 0.00 C ATOM 565 CE3 TRP A 38 4.675 9.568 -1.628 1.00 0.00 C ATOM 566 CZ2 TRP A 38 6.984 10.231 -3.029 1.00 0.00 C ATOM 567 CZ3 TRP A 38 5.849 9.830 -0.931 1.00 0.00 C ATOM 568 CH2 TRP A 38 7.008 10.164 -1.625 1.00 0.00 C ATOM 0 H TRP A 38 3.463 7.091 -5.414 1.00 0.00 H new ATOM 0 HA TRP A 38 0.979 7.275 -3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.561 9.887 -3.716 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.176 8.831 -2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.564 9.523 -6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.995 10.123 -5.754 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.776 9.310 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.881 10.487 -3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.862 9.774 0.147 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.922 10.371 -1.088 1.00 0.00 H new ATOM 579 N ALA A 39 -0.171 8.608 -5.540 1.00 0.00 N ATOM 580 CA ALA A 39 -0.916 8.995 -6.765 1.00 0.00 C ATOM 581 C ALA A 39 -1.519 10.390 -6.681 1.00 0.00 C ATOM 582 O ALA A 39 -1.406 11.220 -7.560 1.00 0.00 O ATOM 583 CB ALA A 39 -1.986 7.955 -6.976 1.00 0.00 C ATOM 0 H ALA A 39 -0.691 8.703 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.227 9.034 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.561 8.200 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.523 6.976 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.650 7.935 -6.112 1.00 0.00 H new ATOM 646 N ASN A 44 -1.300 9.007 -0.884 1.00 0.00 N ATOM 647 CA ASN A 44 0.021 8.357 -0.955 1.00 0.00 C ATOM 648 C ASN A 44 -0.151 7.015 -0.275 1.00 0.00 C ATOM 649 O ASN A 44 -1.070 6.868 0.505 1.00 0.00 O ATOM 650 CB ASN A 44 1.035 9.151 -0.144 1.00 0.00 C ATOM 651 CG ASN A 44 0.444 9.259 1.284 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.735 8.355 2.180 1.00 0.00 O flip ATOM 653 ND2 ASN A 44 -0.311 10.165 1.567 1.00 0.00 N flip ATOM 0 HA ASN A 44 0.365 8.280 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.003 8.649 -0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.194 10.139 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.541 10.874 0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.716 10.218 2.502 1.00 0.00 H new ATOM 660 N ALA A 45 0.713 6.093 -0.583 1.00 0.00 N ATOM 661 CA ALA A 45 0.612 4.774 0.060 1.00 0.00 C ATOM 662 C ALA A 45 1.864 3.988 -0.118 1.00 0.00 C ATOM 663 O ALA A 45 2.854 4.423 -0.660 1.00 0.00 O ATOM 664 CB ALA A 45 -0.544 4.007 -0.535 1.00 0.00 C ATOM 0 H ALA A 45 1.478 6.202 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 45 0.451 4.930 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.617 3.030 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.469 4.560 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.382 3.876 -1.605 1.00 0.00 H new ATOM 670 N CYS A 46 1.744 2.796 0.367 1.00 0.00 N ATOM 671 CA CYS A 46 2.877 1.881 0.270 1.00 0.00 C ATOM 672 C CYS A 46 2.475 1.050 -0.936 1.00 0.00 C ATOM 673 O CYS A 46 1.310 0.740 -1.130 1.00 0.00 O ATOM 674 CB CYS A 46 2.928 1.125 1.564 1.00 0.00 C ATOM 675 SG CYS A 46 4.509 1.088 2.426 1.00 0.00 S ATOM 0 H CYS A 46 0.911 2.424 0.823 1.00 0.00 H new ATOM 0 HA CYS A 46 3.874 2.301 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.185 1.554 2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.625 0.097 1.368 1.00 0.00 H new ATOM 680 N TRP A 47 3.481 0.714 -1.680 1.00 0.00 N ATOM 681 CA TRP A 47 3.350 -0.087 -2.924 1.00 0.00 C ATOM 682 C TRP A 47 3.928 -1.407 -2.495 1.00 0.00 C ATOM 683 O TRP A 47 5.122 -1.558 -2.311 1.00 0.00 O ATOM 684 CB TRP A 47 4.200 0.550 -4.050 1.00 0.00 C ATOM 685 CG TRP A 47 3.891 -0.023 -5.443 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.790 -0.647 -6.268 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.684 0.004 -6.052 1.00 0.00 C ATOM 688 NE1 TRP A 47 4.072 -0.974 -7.331 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.800 -0.620 -7.287 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.465 0.532 -5.640 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.679 -0.718 -8.120 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.352 0.434 -6.467 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.456 -0.187 -7.704 1.00 0.00 C ATOM 0 H TRP A 47 4.443 0.977 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 47 2.336 -0.159 -3.317 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.028 1.626 -4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.256 0.398 -3.828 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.840 -0.829 -6.092 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.473 -1.466 -8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.383 1.018 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.760 -1.203 -9.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.595 0.842 -6.146 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.410 -0.260 -8.346 1.00 0.00 H new ATOM 704 N CYS A 48 3.051 -2.351 -2.348 1.00 0.00 N ATOM 705 CA CYS A 48 3.539 -3.683 -1.916 1.00 0.00 C ATOM 706 C CYS A 48 3.545 -4.530 -3.155 1.00 0.00 C ATOM 707 O CYS A 48 2.693 -4.329 -4.003 1.00 0.00 O ATOM 708 CB CYS A 48 2.595 -4.244 -0.877 1.00 0.00 C ATOM 709 SG CYS A 48 2.440 -3.330 0.675 1.00 0.00 S ATOM 0 H CYS A 48 2.046 -2.266 -2.502 1.00 0.00 H new ATOM 0 HA CYS A 48 4.531 -3.644 -1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.604 -4.319 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.916 -5.259 -0.641 1.00 0.00 H new ATOM 714 N TYR A 49 4.492 -5.433 -3.182 1.00 0.00 N ATOM 715 CA TYR A 49 4.640 -6.346 -4.340 1.00 0.00 C ATOM 716 C TYR A 49 4.343 -7.754 -3.884 1.00 0.00 C ATOM 717 O TYR A 49 4.877 -8.209 -2.890 1.00 0.00 O ATOM 718 CB TYR A 49 6.060 -6.347 -4.857 1.00 0.00 C ATOM 719 CG TYR A 49 6.679 -4.962 -5.128 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.937 -4.072 -4.105 1.00 0.00 C ATOM 721 CD2 TYR A 49 7.025 -4.596 -6.407 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.528 -2.869 -4.338 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.619 -3.381 -6.645 1.00 0.00 C ATOM 724 CZ TYR A 49 7.873 -2.514 -5.610 1.00 0.00 C ATOM 725 OH TYR A 49 8.486 -1.308 -5.883 1.00 0.00 O ATOM 0 H TYR A 49 5.175 -5.573 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 49 3.960 -6.011 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.688 -6.869 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.089 -6.924 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.663 -4.337 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.829 -5.268 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.724 -2.195 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.889 -3.105 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 49 8.654 -1.237 -6.846 1.00 0.00 H new ATOM 735 N ALA A 50 3.511 -8.413 -4.634 1.00 0.00 N ATOM 736 CA ALA A 50 3.100 -9.812 -4.340 1.00 0.00 C ATOM 737 C ALA A 50 2.597 -9.853 -2.907 1.00 0.00 C ATOM 738 O ALA A 50 2.951 -10.684 -2.090 1.00 0.00 O ATOM 739 CB ALA A 50 4.285 -10.737 -4.507 1.00 0.00 C ATOM 0 H ALA A 50 3.081 -8.023 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 50 2.316 -10.137 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.981 -11.761 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.652 -10.676 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.077 -10.441 -3.819 1.00 0.00 H new ATOM 745 N LEU A 51 1.746 -8.906 -2.657 1.00 0.00 N ATOM 746 CA LEU A 51 1.116 -8.748 -1.352 1.00 0.00 C ATOM 747 C LEU A 51 0.109 -9.920 -1.445 1.00 0.00 C ATOM 748 O LEU A 51 -0.522 -10.049 -2.480 1.00 0.00 O ATOM 749 CB LEU A 51 0.463 -7.367 -1.365 1.00 0.00 C ATOM 750 CG LEU A 51 -0.134 -7.019 -0.022 1.00 0.00 C ATOM 751 CD1 LEU A 51 -1.158 -7.982 0.526 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.939 -6.731 1.003 1.00 0.00 C ATOM 0 H LEU A 51 1.458 -8.210 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 51 1.722 -8.784 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.204 -6.616 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.315 -7.340 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.704 -6.112 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.512 -7.625 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.998 -8.052 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.704 -8.966 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.474 -6.484 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.572 -7.610 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.546 -5.890 0.667 1.00 0.00 H new ATOM 764 N PRO A 52 -0.013 -10.750 -0.434 1.00 0.00 N ATOM 765 CA PRO A 52 -1.073 -11.775 -0.304 1.00 0.00 C ATOM 766 C PRO A 52 -2.430 -11.468 -0.900 1.00 0.00 C ATOM 767 O PRO A 52 -2.764 -10.385 -1.332 1.00 0.00 O ATOM 768 CB PRO A 52 -1.196 -12.063 1.186 1.00 0.00 C ATOM 769 CG PRO A 52 0.110 -11.572 1.811 1.00 0.00 C ATOM 770 CD PRO A 52 0.898 -10.773 0.727 1.00 0.00 C ATOM 0 HA PRO A 52 -0.757 -12.628 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.054 -11.546 1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.341 -13.128 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.096 -10.940 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.702 -12.415 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.135 -9.765 1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.843 -11.258 0.483 1.00 0.00 H new ATOM 778 N ASP A 53 -3.198 -12.502 -0.859 1.00 0.00 N ATOM 779 CA ASP A 53 -4.558 -12.397 -1.409 1.00 0.00 C ATOM 780 C ASP A 53 -5.625 -11.903 -0.450 1.00 0.00 C ATOM 781 O ASP A 53 -6.613 -11.345 -0.899 1.00 0.00 O ATOM 782 CB ASP A 53 -4.883 -13.775 -1.993 1.00 0.00 C ATOM 783 CG ASP A 53 -4.100 -13.847 -3.317 1.00 0.00 C ATOM 784 OD1 ASP A 53 -4.269 -12.972 -4.165 1.00 0.00 O ATOM 785 OD2 ASP A 53 -3.325 -14.773 -3.449 1.00 0.00 O ATOM 0 H ASP A 53 -2.946 -13.411 -0.471 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.569 -11.614 -2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.581 -14.572 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.954 -13.889 -2.162 1.00 0.00 H new ATOM 790 N ASN A 54 -5.361 -12.109 0.812 1.00 0.00 N ATOM 791 CA ASN A 54 -6.300 -11.700 1.907 1.00 0.00 C ATOM 792 C ASN A 54 -6.250 -10.218 2.328 1.00 0.00 C ATOM 793 O ASN A 54 -6.993 -9.836 3.210 1.00 0.00 O ATOM 794 CB ASN A 54 -6.000 -12.579 3.154 1.00 0.00 C ATOM 795 CG ASN A 54 -4.552 -12.364 3.641 1.00 0.00 C ATOM 796 OD1 ASN A 54 -4.157 -11.285 4.026 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.707 -13.352 3.648 1.00 0.00 N ATOM 0 H ASN A 54 -4.507 -12.558 1.143 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.301 -11.845 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.698 -12.333 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.154 -13.630 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.751 -13.203 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.000 -14.276 3.332 1.00 0.00 H new ATOM 804 N VAL A 55 -5.418 -9.418 1.709 1.00 0.00 N ATOM 805 CA VAL A 55 -5.351 -7.977 2.110 1.00 0.00 C ATOM 806 C VAL A 55 -6.034 -7.089 1.065 1.00 0.00 C ATOM 807 O VAL A 55 -5.436 -6.794 0.047 1.00 0.00 O ATOM 808 CB VAL A 55 -3.867 -7.547 2.258 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.804 -6.211 2.962 1.00 0.00 C ATOM 810 CG2 VAL A 55 -3.141 -8.567 3.106 1.00 0.00 C ATOM 0 H VAL A 55 -4.790 -9.694 0.954 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.869 -7.859 3.062 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.407 -7.475 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.763 -5.905 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.344 -5.466 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.259 -6.298 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.097 -8.273 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.608 -8.621 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.194 -9.544 2.625 1.00 0.00 H new ATOM 820 N PRO A 56 -7.259 -6.673 1.294 1.00 0.00 N ATOM 821 CA PRO A 56 -7.938 -5.757 0.340 1.00 0.00 C ATOM 822 C PRO A 56 -7.185 -4.408 0.315 1.00 0.00 C ATOM 823 O PRO A 56 -7.351 -3.588 1.190 1.00 0.00 O ATOM 824 CB PRO A 56 -9.402 -5.681 0.846 1.00 0.00 C ATOM 825 CG PRO A 56 -9.361 -6.132 2.332 1.00 0.00 C ATOM 826 CD PRO A 56 -8.102 -7.025 2.480 1.00 0.00 C ATOM 0 HA PRO A 56 -7.938 -6.091 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.795 -4.668 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.053 -6.329 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.308 -5.271 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.263 -6.684 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.578 -6.823 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.363 -8.083 2.483 1.00 0.00 H new ATOM 834 N ILE A 57 -6.391 -4.285 -0.718 1.00 0.00 N ATOM 835 CA ILE A 57 -5.519 -3.114 -1.053 1.00 0.00 C ATOM 836 C ILE A 57 -6.411 -1.967 -1.551 1.00 0.00 C ATOM 837 O ILE A 57 -7.585 -1.905 -1.246 1.00 0.00 O ATOM 838 CB ILE A 57 -4.467 -3.600 -2.163 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.127 -3.775 -3.545 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.687 -4.818 -1.730 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.229 -4.800 -3.577 1.00 0.00 C ATOM 0 H ILE A 57 -6.308 -5.029 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.966 -2.746 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.733 -2.801 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.530 -2.815 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.362 -4.058 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.991 -5.103 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.132 -4.590 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.375 -5.641 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.640 -4.861 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.830 -5.772 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.016 -4.510 -2.881 1.00 0.00 H new ATOM 853 N ARG A 58 -5.793 -1.079 -2.278 1.00 0.00 N ATOM 854 CA ARG A 58 -6.495 0.100 -2.866 1.00 0.00 C ATOM 855 C ARG A 58 -7.922 -0.264 -3.362 1.00 0.00 C ATOM 856 O ARG A 58 -8.178 -1.377 -3.787 1.00 0.00 O ATOM 857 CB ARG A 58 -5.609 0.623 -4.028 1.00 0.00 C ATOM 858 CG ARG A 58 -5.337 2.134 -3.875 1.00 0.00 C ATOM 859 CD ARG A 58 -6.640 2.947 -3.942 1.00 0.00 C ATOM 860 NE ARG A 58 -7.085 3.349 -2.556 1.00 0.00 N ATOM 861 CZ ARG A 58 -8.034 4.231 -2.407 1.00 0.00 C ATOM 862 NH1 ARG A 58 -8.755 4.578 -3.437 1.00 0.00 N ATOM 863 NH2 ARG A 58 -8.215 4.711 -1.217 1.00 0.00 N ATOM 0 H ARG A 58 -4.798 -1.122 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.633 0.872 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.665 0.079 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.102 0.433 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.838 2.321 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.659 2.465 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.490 3.836 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.419 2.357 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.644 2.931 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.575 4.160 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.499 5.267 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.627 4.396 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.946 5.403 -1.052 1.00 0.00 H new ATOM 877 N VAL A 59 -8.769 0.735 -3.295 1.00 0.00 N ATOM 878 CA VAL A 59 -10.214 0.682 -3.686 1.00 0.00 C ATOM 879 C VAL A 59 -10.418 1.576 -4.936 1.00 0.00 C ATOM 880 O VAL A 59 -9.445 2.101 -5.447 1.00 0.00 O ATOM 881 CB VAL A 59 -10.973 1.186 -2.425 1.00 0.00 C ATOM 882 CG1 VAL A 59 -10.312 0.628 -1.185 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.901 2.694 -2.402 1.00 0.00 C ATOM 0 H VAL A 59 -8.490 1.656 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.578 -0.306 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.013 0.859 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.842 0.980 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.341 -0.461 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.275 0.962 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.428 3.070 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.858 3.008 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.365 3.094 -3.303 1.00 0.00 H new ATOM 893 N PRO A 60 -11.646 1.752 -5.380 1.00 0.00 N ATOM 894 CA PRO A 60 -11.940 2.617 -6.553 1.00 0.00 C ATOM 895 C PRO A 60 -11.483 4.039 -6.220 1.00 0.00 C ATOM 896 O PRO A 60 -10.537 4.556 -6.773 1.00 0.00 O ATOM 897 CB PRO A 60 -13.471 2.500 -6.767 1.00 0.00 C ATOM 898 CG PRO A 60 -13.871 1.197 -5.994 1.00 0.00 C ATOM 899 CD PRO A 60 -12.878 1.140 -4.816 1.00 0.00 C ATOM 0 HA PRO A 60 -11.422 2.330 -7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.995 3.372 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.720 2.427 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.902 1.242 -5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.787 0.315 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.245 1.696 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.704 0.116 -4.485 1.00 0.00 H new ATOM 907 N GLY A 61 -12.182 4.644 -5.298 1.00 0.00 N ATOM 908 CA GLY A 61 -11.855 6.030 -4.872 1.00 0.00 C ATOM 909 C GLY A 61 -12.742 6.446 -3.702 1.00 0.00 C ATOM 910 O GLY A 61 -13.553 5.673 -3.236 1.00 0.00 O ATOM 0 H GLY A 61 -12.978 4.227 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.806 6.091 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.995 6.717 -5.706 1.00 0.00 H new ATOM 914 N LYS A 62 -12.523 7.667 -3.289 1.00 0.00 N ATOM 915 CA LYS A 62 -13.266 8.318 -2.164 1.00 0.00 C ATOM 916 C LYS A 62 -12.957 7.746 -0.762 1.00 0.00 C ATOM 917 O LYS A 62 -13.824 7.215 -0.087 1.00 0.00 O ATOM 918 CB LYS A 62 -14.806 8.224 -2.475 1.00 0.00 C ATOM 919 CG LYS A 62 -15.542 9.470 -1.904 1.00 0.00 C ATOM 920 CD LYS A 62 -15.304 10.681 -2.858 1.00 0.00 C ATOM 921 CE LYS A 62 -15.842 11.970 -2.182 1.00 0.00 C ATOM 922 NZ LYS A 62 -15.902 13.108 -3.163 1.00 0.00 N ATOM 0 H LYS A 62 -11.819 8.273 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.928 9.353 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.965 8.160 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.219 7.315 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.609 9.268 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.173 9.700 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.241 10.786 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.809 10.516 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.836 11.784 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.200 12.241 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.265 13.958 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.949 13.298 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.534 12.855 -3.949 1.00 0.00 H new ATOM 936 N CYS A 63 -11.719 7.893 -0.367 1.00 0.00 N ATOM 937 CA CYS A 63 -11.293 7.385 0.978 1.00 0.00 C ATOM 938 C CYS A 63 -12.183 8.028 2.044 1.00 0.00 C ATOM 939 O CYS A 63 -12.737 9.087 1.802 1.00 0.00 O ATOM 940 CB CYS A 63 -9.807 7.764 1.221 1.00 0.00 C ATOM 941 SG CYS A 63 -9.233 8.049 2.912 1.00 0.00 S ATOM 0 H CYS A 63 -10.984 8.341 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 63 -11.392 6.301 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.193 6.971 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.601 8.668 0.648 1.00 0.00 H new ATOM 946 N HIS A 64 -12.321 7.399 3.188 1.00 0.00 N ATOM 947 CA HIS A 64 -13.183 7.986 4.263 1.00 0.00 C ATOM 948 C HIS A 64 -13.003 7.144 5.540 1.00 0.00 C ATOM 949 O HIS A 64 -13.970 6.694 6.128 1.00 0.00 O ATOM 950 CB HIS A 64 -14.652 7.984 3.765 1.00 0.00 C ATOM 951 CG HIS A 64 -15.003 6.569 3.309 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.971 5.503 4.055 1.00 0.00 N ATOM 953 CD2 HIS A 64 -15.399 6.132 2.066 1.00 0.00 C ATOM 954 CE1 HIS A 64 -15.309 4.448 3.399 1.00 0.00 C ATOM 955 NE2 HIS A 64 -15.568 4.838 2.186 1.00 0.00 N ATOM 956 OXT HIS A 64 -11.849 6.987 5.871 1.00 0.00 O ATOM 0 H HIS A 64 -11.877 6.511 3.422 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.904 9.014 4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -15.323 8.303 4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.775 8.689 2.943 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.710 5.503 5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.541 6.730 1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -15.366 3.439 3.781 1.00 0.00 H new