USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= -0.0262 X(o=0.38,f=0.41) USER MOD Set 1.2: A 26 TYR OH : rot 8:sc= 0.262 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.144 K(o=0.38,f=-1.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.21 F(o=-7.8!,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.39 USER MOD Single : A 25 CYS SG : rot 37:sc= 0.0054 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= -3.02! (180deg=-3.06!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.018) USER MOD Single : A 57 SER OG : rot -53:sc= 1.16 USER MOD Single : A 59 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.840 3.482 11.485 1.00 0.00 N ATOM 2 CA ASP A 11 5.830 4.817 10.824 1.00 0.00 C ATOM 3 C ASP A 11 5.013 4.741 9.532 1.00 0.00 C ATOM 4 O ASP A 11 4.311 5.665 9.172 1.00 0.00 O ATOM 5 CB ASP A 11 7.265 5.235 10.497 1.00 0.00 C ATOM 6 CG ASP A 11 7.249 6.584 9.777 1.00 0.00 C ATOM 7 OD1 ASP A 11 6.796 7.547 10.373 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.691 6.632 8.640 1.00 0.00 O ATOM 0 HA ASP A 11 5.382 5.551 11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.853 5.306 11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.741 4.481 9.870 1.00 0.00 H new ATOM 13 N LEU A 12 5.101 3.643 8.831 1.00 0.00 N ATOM 14 CA LEU A 12 4.337 3.493 7.563 1.00 0.00 C ATOM 15 C LEU A 12 2.907 3.034 7.892 1.00 0.00 C ATOM 16 O LEU A 12 2.691 2.347 8.872 1.00 0.00 O ATOM 17 CB LEU A 12 5.031 2.436 6.695 1.00 0.00 C ATOM 18 CG LEU A 12 6.541 2.694 6.668 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.219 1.631 5.801 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.820 4.083 6.082 1.00 0.00 C ATOM 0 H LEU A 12 5.674 2.839 9.086 1.00 0.00 H new ATOM 0 HA LEU A 12 4.299 4.442 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.830 1.440 7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.630 2.464 5.682 1.00 0.00 H new ATOM 0 HG LEU A 12 6.934 2.647 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.294 1.811 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.025 0.643 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.822 1.681 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.895 4.261 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.427 4.135 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.336 4.841 6.697 1.00 0.00 H new ATOM 32 N PRO A 13 1.931 3.396 7.088 1.00 0.00 N ATOM 33 CA PRO A 13 0.508 2.992 7.326 1.00 0.00 C ATOM 34 C PRO A 13 0.332 1.468 7.247 1.00 0.00 C ATOM 35 O PRO A 13 1.172 0.769 6.715 1.00 0.00 O ATOM 36 CB PRO A 13 -0.272 3.703 6.202 1.00 0.00 C ATOM 37 CG PRO A 13 0.743 3.985 5.142 1.00 0.00 C ATOM 38 CD PRO A 13 2.060 4.224 5.875 1.00 0.00 C ATOM 0 HA PRO A 13 0.159 3.269 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.076 3.073 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.732 4.623 6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.828 3.147 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.460 4.857 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.916 3.922 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.198 5.277 6.120 1.00 0.00 H new ATOM 46 N PRO A 14 -0.749 0.958 7.778 1.00 0.00 N ATOM 47 CA PRO A 14 -1.036 -0.509 7.773 1.00 0.00 C ATOM 48 C PRO A 14 -1.247 -1.055 6.355 1.00 0.00 C ATOM 49 O PRO A 14 -1.364 -0.311 5.402 1.00 0.00 O ATOM 50 CB PRO A 14 -2.318 -0.636 8.613 1.00 0.00 C ATOM 51 CG PRO A 14 -2.963 0.707 8.528 1.00 0.00 C ATOM 52 CD PRO A 14 -1.822 1.719 8.437 1.00 0.00 C ATOM 0 HA PRO A 14 -0.204 -1.089 8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.972 -1.415 8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.090 -0.901 9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.613 0.773 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.584 0.897 9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.108 2.597 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.518 2.073 9.422 1.00 0.00 H new ATOM 60 N ASN A 15 -1.297 -2.352 6.216 1.00 0.00 N ATOM 61 CA ASN A 15 -1.505 -2.962 4.872 1.00 0.00 C ATOM 62 C ASN A 15 -0.435 -2.464 3.898 1.00 0.00 C ATOM 63 O ASN A 15 -0.500 -2.723 2.712 1.00 0.00 O ATOM 64 CB ASN A 15 -2.891 -2.588 4.350 1.00 0.00 C ATOM 65 CG ASN A 15 -3.940 -2.943 5.405 1.00 0.00 C ATOM 66 OD1 ASN A 15 -4.257 -4.100 5.597 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.489 -1.989 6.103 1.00 0.00 N ATOM 0 H ASN A 15 -1.202 -3.020 6.981 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.429 -4.046 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.932 -1.523 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.098 -3.119 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.187 -2.213 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.221 -1.019 5.940 1.00 0.00 H new ATOM 74 N LEU A 16 0.559 -1.763 4.390 1.00 0.00 N ATOM 75 CA LEU A 16 1.655 -1.258 3.499 1.00 0.00 C ATOM 76 C LEU A 16 2.998 -1.648 4.104 1.00 0.00 C ATOM 77 O LEU A 16 3.199 -1.563 5.299 1.00 0.00 O ATOM 78 CB LEU A 16 1.576 0.269 3.360 1.00 0.00 C ATOM 79 CG LEU A 16 2.707 0.778 2.416 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.168 1.858 1.470 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.863 1.369 3.239 1.00 0.00 C ATOM 0 H LEU A 16 0.660 -1.517 5.375 1.00 0.00 H new ATOM 0 HA LEU A 16 1.546 -1.700 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.603 0.556 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.671 0.737 4.340 1.00 0.00 H new ATOM 0 HG LEU A 16 3.068 -0.069 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.970 2.203 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.362 1.443 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.789 2.697 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.646 1.720 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.495 2.204 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.269 0.602 3.899 1.00 0.00 H new ATOM 93 N TYR A 17 3.914 -2.094 3.282 1.00 0.00 N ATOM 94 CA TYR A 17 5.254 -2.519 3.788 1.00 0.00 C ATOM 95 C TYR A 17 6.357 -1.808 3.016 1.00 0.00 C ATOM 96 O TYR A 17 6.121 -0.858 2.294 1.00 0.00 O ATOM 97 CB TYR A 17 5.394 -4.024 3.580 1.00 0.00 C ATOM 98 CG TYR A 17 4.217 -4.711 4.214 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.025 -4.871 3.497 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.316 -5.173 5.525 1.00 0.00 C ATOM 101 CE1 TYR A 17 1.926 -5.501 4.095 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.221 -5.805 6.129 1.00 0.00 C ATOM 103 CZ TYR A 17 2.026 -5.968 5.414 1.00 0.00 C ATOM 104 OH TYR A 17 0.946 -6.588 6.012 1.00 0.00 O ATOM 0 H TYR A 17 3.789 -2.182 2.274 1.00 0.00 H new ATOM 0 HA TYR A 17 5.341 -2.266 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.438 -4.256 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.324 -4.382 4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.953 -4.508 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.236 -5.044 6.075 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.006 -5.627 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.297 -6.166 7.144 1.00 0.00 H new ATOM 0 HH TYR A 17 1.184 -6.851 6.925 1.00 0.00 H new ATOM 114 N ILE A 18 7.567 -2.279 3.163 1.00 0.00 N ATOM 115 CA ILE A 18 8.727 -1.658 2.444 1.00 0.00 C ATOM 116 C ILE A 18 9.578 -2.784 1.836 1.00 0.00 C ATOM 117 O ILE A 18 9.886 -3.763 2.485 1.00 0.00 O ATOM 118 CB ILE A 18 9.538 -0.789 3.457 1.00 0.00 C ATOM 119 CG1 ILE A 18 9.823 0.610 2.869 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.867 -1.455 3.864 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.763 0.516 1.661 1.00 0.00 C ATOM 0 H ILE A 18 7.807 -3.074 3.755 1.00 0.00 H new ATOM 0 HA ILE A 18 8.396 -1.006 1.635 1.00 0.00 H new ATOM 0 HB ILE A 18 8.922 -0.693 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.886 1.081 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.270 1.246 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.395 -0.813 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.663 -2.418 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.484 -1.606 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.948 1.515 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.707 0.067 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.303 -0.101 0.889 1.00 0.00 H new ATOM 133 N ARG A 19 9.950 -2.653 0.591 1.00 0.00 N ATOM 134 CA ARG A 19 10.772 -3.715 -0.062 1.00 0.00 C ATOM 135 C ARG A 19 12.255 -3.448 0.218 1.00 0.00 C ATOM 136 O ARG A 19 12.667 -2.320 0.401 1.00 0.00 O ATOM 137 CB ARG A 19 10.517 -3.688 -1.570 1.00 0.00 C ATOM 138 CG ARG A 19 11.249 -4.851 -2.236 1.00 0.00 C ATOM 139 CD ARG A 19 10.788 -4.983 -3.688 1.00 0.00 C ATOM 140 NE ARG A 19 11.230 -3.791 -4.465 1.00 0.00 N ATOM 141 CZ ARG A 19 11.255 -3.834 -5.770 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.893 -4.923 -6.393 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.641 -2.791 -6.451 1.00 0.00 N ATOM 0 H ARG A 19 9.721 -1.856 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 19 10.501 -4.693 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.448 -3.757 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.859 -2.742 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.326 -4.685 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.051 -5.776 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.200 -5.890 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.703 -5.074 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 19 11.513 -2.941 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.591 -5.739 -5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.912 -4.958 -7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.924 -1.940 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.660 -2.826 -7.470 1.00 0.00 H new ATOM 157 N ASN A 20 13.056 -4.478 0.269 1.00 0.00 N ATOM 158 CA ASN A 20 14.508 -4.283 0.555 1.00 0.00 C ATOM 159 C ASN A 20 15.134 -3.374 -0.507 1.00 0.00 C ATOM 160 O ASN A 20 16.254 -2.925 -0.369 1.00 0.00 O ATOM 161 CB ASN A 20 15.221 -5.641 0.561 1.00 0.00 C ATOM 162 CG ASN A 20 14.719 -6.500 -0.601 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.275 -5.922 -1.681 1.00 0.00 O flip ATOM 164 ND2 ASN A 20 14.732 -7.713 -0.525 1.00 0.00 N flip ATOM 0 H ASN A 20 12.769 -5.446 0.125 1.00 0.00 H new ATOM 0 HA ASN A 20 14.618 -3.814 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.298 -5.496 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.040 -6.152 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.079 -8.167 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.396 -8.277 -1.306 1.00 0.00 H new ATOM 171 N ASN A 21 14.421 -3.096 -1.566 1.00 0.00 N ATOM 172 CA ASN A 21 14.974 -2.216 -2.632 1.00 0.00 C ATOM 173 C ASN A 21 14.582 -0.766 -2.340 1.00 0.00 C ATOM 174 O ASN A 21 14.916 0.142 -3.077 1.00 0.00 O ATOM 175 CB ASN A 21 14.394 -2.645 -3.978 1.00 0.00 C ATOM 176 CG ASN A 21 14.920 -4.036 -4.333 1.00 0.00 C ATOM 177 OD1 ASN A 21 15.890 -4.496 -3.762 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.320 -4.733 -5.258 1.00 0.00 N ATOM 0 H ASN A 21 13.477 -3.442 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 21 16.061 -2.298 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.305 -2.656 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.672 -1.930 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.665 -5.662 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.506 -4.349 -5.738 1.00 0.00 H new ATOM 185 N GLY A 22 13.878 -0.542 -1.263 1.00 0.00 N ATOM 186 CA GLY A 22 13.463 0.848 -0.910 1.00 0.00 C ATOM 187 C GLY A 22 12.158 1.197 -1.628 1.00 0.00 C ATOM 188 O GLY A 22 11.670 2.305 -1.541 1.00 0.00 O ATOM 0 H GLY A 22 13.571 -1.263 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.330 0.935 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.244 1.554 -1.193 1.00 0.00 H new ATOM 192 N TYR A 23 11.583 0.257 -2.330 1.00 0.00 N ATOM 193 CA TYR A 23 10.304 0.538 -3.047 1.00 0.00 C ATOM 194 C TYR A 23 9.138 0.305 -2.082 1.00 0.00 C ATOM 195 O TYR A 23 9.125 -0.648 -1.329 1.00 0.00 O ATOM 196 CB TYR A 23 10.171 -0.416 -4.256 1.00 0.00 C ATOM 197 CG TYR A 23 10.723 0.236 -5.505 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.079 0.106 -5.824 1.00 0.00 C ATOM 199 CD2 TYR A 23 9.872 0.966 -6.342 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.584 0.707 -6.982 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.377 1.566 -7.499 1.00 0.00 C ATOM 202 CZ TYR A 23 11.733 1.437 -7.820 1.00 0.00 C ATOM 203 OH TYR A 23 12.230 2.029 -8.963 1.00 0.00 O ATOM 0 H TYR A 23 11.942 -0.691 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 23 10.294 1.569 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.706 -1.344 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.124 -0.678 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.735 -0.458 -5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.826 1.066 -6.094 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.631 0.608 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.720 2.129 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 23 11.506 2.496 -9.431 1.00 0.00 H new ATOM 213 N TYR A 24 8.152 1.161 -2.110 1.00 0.00 N ATOM 214 CA TYR A 24 6.986 0.977 -1.207 1.00 0.00 C ATOM 215 C TYR A 24 6.029 -0.009 -1.869 1.00 0.00 C ATOM 216 O TYR A 24 5.972 -0.109 -3.077 1.00 0.00 O ATOM 217 CB TYR A 24 6.295 2.324 -0.993 1.00 0.00 C ATOM 218 CG TYR A 24 7.181 3.194 -0.132 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.368 2.875 1.218 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.822 4.312 -0.683 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.195 3.673 2.017 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.650 5.108 0.115 1.00 0.00 C ATOM 223 CZ TYR A 24 8.836 4.788 1.467 1.00 0.00 C ATOM 224 OH TYR A 24 9.653 5.573 2.254 1.00 0.00 O ATOM 0 H TYR A 24 8.106 1.978 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 24 7.303 0.592 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.107 2.808 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.327 2.180 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.874 2.014 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.676 4.559 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.338 3.428 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.146 5.968 -0.310 1.00 0.00 H new ATOM 0 HH TYR A 24 10.020 6.305 1.716 1.00 0.00 H new ATOM 234 N CYS A 25 5.291 -0.763 -1.099 1.00 0.00 N ATOM 235 CA CYS A 25 4.365 -1.761 -1.719 1.00 0.00 C ATOM 236 C CYS A 25 3.128 -1.961 -0.843 1.00 0.00 C ATOM 237 O CYS A 25 3.214 -2.077 0.364 1.00 0.00 O ATOM 238 CB CYS A 25 5.103 -3.095 -1.863 1.00 0.00 C ATOM 239 SG CYS A 25 6.037 -3.430 -0.348 1.00 0.00 S ATOM 0 H CYS A 25 5.287 -0.734 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 25 4.046 -1.395 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.391 -3.899 -2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.777 -3.060 -2.719 1.00 0.00 H new ATOM 0 HG CYS A 25 5.355 -3.022 0.681 1.00 0.00 H new ATOM 245 N TYR A 26 1.972 -2.021 -1.457 1.00 0.00 N ATOM 246 CA TYR A 26 0.708 -2.237 -0.692 1.00 0.00 C ATOM 247 C TYR A 26 0.290 -3.698 -0.849 1.00 0.00 C ATOM 248 O TYR A 26 0.604 -4.332 -1.838 1.00 0.00 O ATOM 249 CB TYR A 26 -0.396 -1.335 -1.252 1.00 0.00 C ATOM 250 CG TYR A 26 -1.581 -1.357 -0.319 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.619 -0.494 0.782 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.643 -2.237 -0.557 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.719 -0.511 1.646 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.744 -2.255 0.308 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.781 -1.391 1.410 1.00 0.00 C ATOM 256 OH TYR A 26 -4.866 -1.407 2.263 1.00 0.00 O ATOM 0 H TYR A 26 1.851 -1.928 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 26 0.867 -1.998 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.026 -0.316 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.693 -1.677 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.799 0.185 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.613 -2.902 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.749 0.155 2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.564 -2.934 0.126 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.797 -0.661 2.894 1.00 0.00 H new ATOM 266 N ARG A 27 -0.416 -4.239 0.114 1.00 0.00 N ATOM 267 CA ARG A 27 -0.862 -5.670 0.027 1.00 0.00 C ATOM 268 C ARG A 27 -2.376 -5.732 0.253 1.00 0.00 C ATOM 269 O ARG A 27 -2.867 -5.395 1.312 1.00 0.00 O ATOM 270 CB ARG A 27 -0.135 -6.496 1.109 1.00 0.00 C ATOM 271 CG ARG A 27 -0.002 -7.987 0.675 1.00 0.00 C ATOM 272 CD ARG A 27 -0.279 -8.939 1.853 1.00 0.00 C ATOM 273 NE ARG A 27 -1.725 -9.297 1.840 1.00 0.00 N ATOM 274 CZ ARG A 27 -2.168 -10.264 2.598 1.00 0.00 C ATOM 275 NH1 ARG A 27 -1.351 -10.887 3.404 1.00 0.00 N ATOM 276 NH2 ARG A 27 -3.426 -10.606 2.551 1.00 0.00 N ATOM 0 H ARG A 27 -0.705 -3.751 0.962 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.624 -6.079 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.855 -6.076 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.683 -6.434 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.700 -8.196 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.001 -8.167 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.334 -9.836 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.015 -8.461 2.797 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.370 -8.786 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.368 -10.618 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.696 -11.642 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.064 -10.118 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.772 -11.361 3.143 1.00 0.00 H new ATOM 290 N ASP A 28 -3.123 -6.155 -0.731 1.00 0.00 N ATOM 291 CA ASP A 28 -4.602 -6.225 -0.556 1.00 0.00 C ATOM 292 C ASP A 28 -4.960 -7.433 0.336 1.00 0.00 C ATOM 293 O ASP A 28 -4.377 -8.488 0.193 1.00 0.00 O ATOM 294 CB ASP A 28 -5.267 -6.395 -1.921 1.00 0.00 C ATOM 295 CG ASP A 28 -5.050 -5.133 -2.758 1.00 0.00 C ATOM 296 OD1 ASP A 28 -4.023 -5.048 -3.410 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.914 -4.273 -2.729 1.00 0.00 O ATOM 0 H ASP A 28 -2.776 -6.453 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.954 -5.307 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.849 -7.261 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.334 -6.582 -1.796 1.00 0.00 H new ATOM 302 N PRO A 29 -5.910 -7.299 1.242 1.00 0.00 N ATOM 303 CA PRO A 29 -6.319 -8.424 2.137 1.00 0.00 C ATOM 304 C PRO A 29 -7.330 -9.371 1.472 1.00 0.00 C ATOM 305 O PRO A 29 -8.095 -10.037 2.141 1.00 0.00 O ATOM 306 CB PRO A 29 -6.968 -7.697 3.313 1.00 0.00 C ATOM 307 CG PRO A 29 -7.620 -6.509 2.687 1.00 0.00 C ATOM 308 CD PRO A 29 -6.696 -6.080 1.536 1.00 0.00 C ATOM 0 HA PRO A 29 -5.477 -9.061 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.695 -8.330 3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.228 -7.401 4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.615 -6.759 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.742 -5.703 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.266 -5.752 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.053 -5.250 1.827 1.00 0.00 H new ATOM 316 N ARG A 30 -7.342 -9.443 0.165 1.00 0.00 N ATOM 317 CA ARG A 30 -8.303 -10.351 -0.525 1.00 0.00 C ATOM 318 C ARG A 30 -7.658 -11.727 -0.671 1.00 0.00 C ATOM 319 O ARG A 30 -8.078 -12.689 -0.058 1.00 0.00 O ATOM 320 CB ARG A 30 -8.628 -9.783 -1.916 1.00 0.00 C ATOM 321 CG ARG A 30 -9.769 -10.586 -2.571 1.00 0.00 C ATOM 322 CD ARG A 30 -11.130 -10.032 -2.131 1.00 0.00 C ATOM 323 NE ARG A 30 -11.226 -8.590 -2.491 1.00 0.00 N ATOM 324 CZ ARG A 30 -12.390 -8.001 -2.518 1.00 0.00 C ATOM 325 NH1 ARG A 30 -13.470 -8.684 -2.251 1.00 0.00 N ATOM 326 NH2 ARG A 30 -12.473 -6.735 -2.818 1.00 0.00 N ATOM 0 H ARG A 30 -6.728 -8.912 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.223 -10.434 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.915 -8.735 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.740 -9.819 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.682 -10.536 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.689 -11.637 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.933 -10.591 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.254 -10.157 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.382 -8.063 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.403 -9.676 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.381 -8.226 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.628 -6.205 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.383 -6.274 -2.839 1.00 0.00 H new ATOM 340 N THR A 31 -6.638 -11.823 -1.488 1.00 0.00 N ATOM 341 CA THR A 31 -5.939 -13.121 -1.706 1.00 0.00 C ATOM 342 C THR A 31 -4.499 -12.998 -1.210 1.00 0.00 C ATOM 343 O THR A 31 -3.874 -13.975 -0.844 1.00 0.00 O ATOM 344 CB THR A 31 -5.945 -13.439 -3.204 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.823 -12.831 -3.829 1.00 0.00 O ATOM 346 CG2 THR A 31 -7.235 -12.909 -3.838 1.00 0.00 C ATOM 0 H THR A 31 -6.256 -11.041 -2.021 1.00 0.00 H new ATOM 0 HA THR A 31 -6.443 -13.919 -1.161 1.00 0.00 H new ATOM 0 HB THR A 31 -5.892 -14.519 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.830 -13.038 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.237 -13.137 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.095 -13.383 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.293 -11.830 -3.697 1.00 0.00 H new ATOM 354 N GLY A 32 -3.973 -11.796 -1.187 1.00 0.00 N ATOM 355 CA GLY A 32 -2.572 -11.576 -0.703 1.00 0.00 C ATOM 356 C GLY A 32 -1.697 -11.054 -1.847 1.00 0.00 C ATOM 357 O GLY A 32 -0.491 -11.186 -1.820 1.00 0.00 O ATOM 0 H GLY A 32 -4.459 -10.950 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.571 -10.862 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.161 -12.509 -0.317 1.00 0.00 H new ATOM 361 N LYS A 33 -2.286 -10.456 -2.846 1.00 0.00 N ATOM 362 CA LYS A 33 -1.464 -9.925 -3.975 1.00 0.00 C ATOM 363 C LYS A 33 -0.768 -8.640 -3.526 1.00 0.00 C ATOM 364 O LYS A 33 -0.962 -8.176 -2.420 1.00 0.00 O ATOM 365 CB LYS A 33 -2.356 -9.627 -5.188 1.00 0.00 C ATOM 366 CG LYS A 33 -3.547 -8.728 -4.774 1.00 0.00 C ATOM 367 CD LYS A 33 -4.789 -9.588 -4.462 1.00 0.00 C ATOM 368 CE LYS A 33 -5.578 -9.872 -5.754 1.00 0.00 C ATOM 369 NZ LYS A 33 -4.640 -9.963 -6.913 1.00 0.00 N ATOM 0 H LYS A 33 -3.292 -10.312 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.722 -10.671 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.772 -9.133 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.727 -10.560 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.277 -8.137 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.776 -8.025 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.483 -10.527 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.426 -9.072 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.136 -10.803 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.307 -9.081 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.181 -10.138 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.114 -9.070 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.971 -10.744 -6.758 1.00 0.00 H new ATOM 383 N GLU A 34 0.033 -8.054 -4.381 1.00 0.00 N ATOM 384 CA GLU A 34 0.747 -6.789 -4.015 1.00 0.00 C ATOM 385 C GLU A 34 0.571 -5.758 -5.132 1.00 0.00 C ATOM 386 O GLU A 34 0.175 -6.079 -6.235 1.00 0.00 O ATOM 387 CB GLU A 34 2.238 -7.083 -3.826 1.00 0.00 C ATOM 388 CG GLU A 34 2.412 -8.229 -2.825 1.00 0.00 C ATOM 389 CD GLU A 34 3.873 -8.301 -2.368 1.00 0.00 C ATOM 390 OE1 GLU A 34 4.585 -7.331 -2.564 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.255 -9.327 -1.830 1.00 0.00 O ATOM 0 H GLU A 34 0.225 -8.398 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 34 0.331 -6.394 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.691 -7.349 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.752 -6.192 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.760 -8.076 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.118 -9.173 -3.284 1.00 0.00 H new ATOM 398 N PHE A 35 0.875 -4.519 -4.845 1.00 0.00 N ATOM 399 CA PHE A 35 0.748 -3.439 -5.872 1.00 0.00 C ATOM 400 C PHE A 35 1.996 -2.557 -5.805 1.00 0.00 C ATOM 401 O PHE A 35 2.251 -1.894 -4.818 1.00 0.00 O ATOM 402 CB PHE A 35 -0.507 -2.593 -5.575 1.00 0.00 C ATOM 403 CG PHE A 35 -1.708 -3.162 -6.306 1.00 0.00 C ATOM 404 CD1 PHE A 35 -2.298 -4.353 -5.868 1.00 0.00 C ATOM 405 CD2 PHE A 35 -2.227 -2.492 -7.422 1.00 0.00 C ATOM 406 CE1 PHE A 35 -3.408 -4.873 -6.546 1.00 0.00 C ATOM 407 CE2 PHE A 35 -3.335 -3.010 -8.098 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.926 -4.201 -7.661 1.00 0.00 C ATOM 0 H PHE A 35 1.209 -4.205 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 35 0.654 -3.874 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.699 -2.578 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.340 -1.561 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.898 -4.870 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.770 -1.574 -7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.865 -5.792 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.735 -2.492 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.782 -4.602 -8.184 1.00 0.00 H new ATOM 418 N GLY A 36 2.777 -2.550 -6.847 1.00 0.00 N ATOM 419 CA GLY A 36 4.011 -1.718 -6.849 1.00 0.00 C ATOM 420 C GLY A 36 3.634 -0.245 -7.011 1.00 0.00 C ATOM 421 O GLY A 36 3.040 0.148 -7.995 1.00 0.00 O ATOM 0 H GLY A 36 2.614 -3.086 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.561 -1.863 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.669 -2.027 -7.661 1.00 0.00 H new ATOM 425 N LEU A 37 3.976 0.576 -6.051 1.00 0.00 N ATOM 426 CA LEU A 37 3.644 2.030 -6.145 1.00 0.00 C ATOM 427 C LEU A 37 4.876 2.795 -6.623 1.00 0.00 C ATOM 428 O LEU A 37 4.916 3.310 -7.723 1.00 0.00 O ATOM 429 CB LEU A 37 3.241 2.555 -4.760 1.00 0.00 C ATOM 430 CG LEU A 37 2.308 1.558 -4.071 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.771 2.179 -2.782 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.135 1.213 -4.994 1.00 0.00 C ATOM 0 H LEU A 37 4.472 0.301 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 37 2.821 2.170 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.130 2.714 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.745 3.521 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 37 2.862 0.648 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.105 1.472 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.603 2.419 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.221 3.090 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.476 0.502 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.579 2.120 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.515 0.771 -5.915 1.00 0.00 H new ATOM 444 N GLY A 38 5.880 2.871 -5.800 1.00 0.00 N ATOM 445 CA GLY A 38 7.115 3.603 -6.191 1.00 0.00 C ATOM 446 C GLY A 38 7.985 3.822 -4.955 1.00 0.00 C ATOM 447 O GLY A 38 7.778 3.220 -3.920 1.00 0.00 O ATOM 0 H GLY A 38 5.900 2.456 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.666 3.036 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.856 4.561 -6.642 1.00 0.00 H new ATOM 451 N ARG A 39 8.961 4.684 -5.059 1.00 0.00 N ATOM 452 CA ARG A 39 9.865 4.962 -3.900 1.00 0.00 C ATOM 453 C ARG A 39 9.438 6.269 -3.227 1.00 0.00 C ATOM 454 O ARG A 39 10.100 6.770 -2.339 1.00 0.00 O ATOM 455 CB ARG A 39 11.311 5.091 -4.409 1.00 0.00 C ATOM 456 CG ARG A 39 11.576 4.070 -5.550 1.00 0.00 C ATOM 457 CD ARG A 39 11.511 4.757 -6.929 1.00 0.00 C ATOM 458 NE ARG A 39 10.537 5.888 -6.897 1.00 0.00 N ATOM 459 CZ ARG A 39 10.530 6.770 -7.859 1.00 0.00 C ATOM 460 NH1 ARG A 39 11.346 6.639 -8.868 1.00 0.00 N ATOM 461 NH2 ARG A 39 9.706 7.780 -7.813 1.00 0.00 N ATOM 0 H ARG A 39 9.174 5.213 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 39 9.804 4.147 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.487 6.104 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.009 4.919 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.556 3.612 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.840 3.268 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.498 5.126 -7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.215 4.034 -7.690 1.00 0.00 H new ATOM 0 HE ARG A 39 9.877 5.971 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.989 5.848 -8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.341 7.328 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.067 7.881 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.701 8.469 -8.565 1.00 0.00 H new ATOM 475 N ASP A 40 8.343 6.832 -3.657 1.00 0.00 N ATOM 476 CA ASP A 40 7.868 8.120 -3.065 1.00 0.00 C ATOM 477 C ASP A 40 6.846 7.850 -1.959 1.00 0.00 C ATOM 478 O ASP A 40 5.678 7.640 -2.213 1.00 0.00 O ATOM 479 CB ASP A 40 7.212 8.962 -4.160 1.00 0.00 C ATOM 480 CG ASP A 40 8.286 9.476 -5.120 1.00 0.00 C ATOM 481 OD1 ASP A 40 9.418 9.039 -4.998 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.958 10.296 -5.962 1.00 0.00 O ATOM 0 H ASP A 40 7.751 6.455 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 40 8.719 8.652 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.479 8.365 -4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.674 9.800 -3.716 1.00 0.00 H new ATOM 487 N ARG A 41 7.286 7.875 -0.731 1.00 0.00 N ATOM 488 CA ARG A 41 6.359 7.644 0.414 1.00 0.00 C ATOM 489 C ARG A 41 5.193 8.630 0.327 1.00 0.00 C ATOM 490 O ARG A 41 4.178 8.473 0.977 1.00 0.00 O ATOM 491 CB ARG A 41 7.134 7.878 1.715 1.00 0.00 C ATOM 492 CG ARG A 41 6.242 7.563 2.913 1.00 0.00 C ATOM 493 CD ARG A 41 7.070 7.633 4.199 1.00 0.00 C ATOM 494 NE ARG A 41 8.229 6.703 4.099 1.00 0.00 N ATOM 495 CZ ARG A 41 9.228 6.818 4.931 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.211 7.752 5.845 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.243 6.002 4.851 1.00 0.00 N ATOM 0 H ARG A 41 8.257 8.047 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 41 5.969 6.627 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.024 7.249 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.474 8.912 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.416 8.272 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.805 6.571 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.422 8.652 4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.451 7.368 5.057 1.00 0.00 H new ATOM 0 HE ARG A 41 8.242 5.978 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.418 8.390 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.991 7.843 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.256 5.273 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.023 6.093 5.502 1.00 0.00 H new ATOM 511 N ARG A 42 5.333 9.646 -0.477 1.00 0.00 N ATOM 512 CA ARG A 42 4.249 10.648 -0.622 1.00 0.00 C ATOM 513 C ARG A 42 3.147 10.081 -1.510 1.00 0.00 C ATOM 514 O ARG A 42 1.991 10.040 -1.138 1.00 0.00 O ATOM 515 CB ARG A 42 4.803 11.937 -1.242 1.00 0.00 C ATOM 516 CG ARG A 42 5.839 12.584 -0.287 1.00 0.00 C ATOM 517 CD ARG A 42 7.257 12.027 -0.547 1.00 0.00 C ATOM 518 NE ARG A 42 7.935 11.723 0.756 1.00 0.00 N ATOM 519 CZ ARG A 42 7.938 12.587 1.739 1.00 0.00 C ATOM 520 NH1 ARG A 42 7.453 13.784 1.569 1.00 0.00 N ATOM 521 NH2 ARG A 42 8.464 12.258 2.889 1.00 0.00 N ATOM 0 H ARG A 42 6.162 9.824 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 42 3.840 10.877 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.270 11.717 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.989 12.636 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.839 13.665 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.554 12.393 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.196 11.124 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.844 12.752 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 42 8.403 10.825 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.067 14.054 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.459 14.451 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.870 11.331 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.469 12.928 3.658 1.00 0.00 H new ATOM 535 N ILE A 43 3.496 9.648 -2.691 1.00 0.00 N ATOM 536 CA ILE A 43 2.469 9.094 -3.611 1.00 0.00 C ATOM 537 C ILE A 43 2.098 7.676 -3.174 1.00 0.00 C ATOM 538 O ILE A 43 0.977 7.243 -3.331 1.00 0.00 O ATOM 539 CB ILE A 43 3.017 9.063 -5.040 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.233 10.502 -5.537 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.018 8.351 -5.957 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.169 10.499 -6.749 1.00 0.00 C ATOM 0 H ILE A 43 4.448 9.655 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 43 1.582 9.726 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 43 3.966 8.527 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.277 10.951 -5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.658 11.112 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.409 8.330 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.865 7.331 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.068 8.885 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.318 11.521 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.129 10.068 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.727 9.905 -7.549 1.00 0.00 H new ATOM 554 N ALA A 44 3.030 6.947 -2.632 1.00 0.00 N ATOM 555 CA ALA A 44 2.717 5.558 -2.194 1.00 0.00 C ATOM 556 C ALA A 44 1.655 5.600 -1.091 1.00 0.00 C ATOM 557 O ALA A 44 0.612 4.986 -1.202 1.00 0.00 O ATOM 558 CB ALA A 44 4.003 4.893 -1.677 1.00 0.00 C ATOM 0 H ALA A 44 3.991 7.249 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 44 2.329 4.979 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.782 3.876 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.745 4.868 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.395 5.464 -0.835 1.00 0.00 H new ATOM 564 N ILE A 45 1.903 6.317 -0.033 1.00 0.00 N ATOM 565 CA ILE A 45 0.896 6.388 1.062 1.00 0.00 C ATOM 566 C ILE A 45 -0.444 6.867 0.487 1.00 0.00 C ATOM 567 O ILE A 45 -1.495 6.391 0.866 1.00 0.00 O ATOM 568 CB ILE A 45 1.379 7.357 2.152 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.558 6.713 2.901 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.226 7.640 3.128 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.060 7.649 4.004 1.00 0.00 C ATOM 0 H ILE A 45 2.755 6.855 0.122 1.00 0.00 H new ATOM 0 HA ILE A 45 0.766 5.400 1.504 1.00 0.00 H new ATOM 0 HB ILE A 45 1.703 8.297 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.247 5.763 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.366 6.496 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.566 8.327 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.608 8.087 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.099 6.707 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.894 7.181 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.390 8.589 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.253 7.844 4.711 1.00 0.00 H new ATOM 583 N THR A 46 -0.417 7.805 -0.421 1.00 0.00 N ATOM 584 CA THR A 46 -1.693 8.310 -1.009 1.00 0.00 C ATOM 585 C THR A 46 -2.531 7.119 -1.493 1.00 0.00 C ATOM 586 O THR A 46 -3.679 6.962 -1.126 1.00 0.00 O ATOM 587 CB THR A 46 -1.360 9.265 -2.178 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.230 10.585 -1.673 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.460 9.243 -3.251 1.00 0.00 C ATOM 0 H THR A 46 0.431 8.243 -0.781 1.00 0.00 H new ATOM 0 HA THR A 46 -2.270 8.857 -0.263 1.00 0.00 H new ATOM 0 HB THR A 46 -0.428 8.934 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.017 11.197 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.194 9.925 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.561 8.233 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.406 9.555 -2.809 1.00 0.00 H new ATOM 597 N GLU A 47 -1.965 6.288 -2.318 1.00 0.00 N ATOM 598 CA GLU A 47 -2.721 5.112 -2.836 1.00 0.00 C ATOM 599 C GLU A 47 -3.069 4.178 -1.681 1.00 0.00 C ATOM 600 O GLU A 47 -4.155 3.640 -1.600 1.00 0.00 O ATOM 601 CB GLU A 47 -1.846 4.361 -3.835 1.00 0.00 C ATOM 602 CG GLU A 47 -1.340 5.328 -4.898 1.00 0.00 C ATOM 603 CD GLU A 47 -0.786 4.539 -6.086 1.00 0.00 C ATOM 604 OE1 GLU A 47 -1.579 4.097 -6.900 1.00 0.00 O ATOM 605 OE2 GLU A 47 0.422 4.387 -6.159 1.00 0.00 O ATOM 0 H GLU A 47 -1.007 6.371 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.637 5.451 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.004 3.897 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.416 3.558 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.150 5.979 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.564 5.970 -4.481 1.00 0.00 H new ATOM 612 N ALA A 48 -2.142 3.979 -0.792 1.00 0.00 N ATOM 613 CA ALA A 48 -2.390 3.070 0.367 1.00 0.00 C ATOM 614 C ALA A 48 -3.635 3.525 1.140 1.00 0.00 C ATOM 615 O ALA A 48 -4.447 2.724 1.555 1.00 0.00 O ATOM 616 CB ALA A 48 -1.177 3.107 1.298 1.00 0.00 C ATOM 0 H ALA A 48 -1.216 4.407 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.551 2.056 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.350 2.446 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.291 2.777 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.024 4.125 1.656 1.00 0.00 H new ATOM 622 N ILE A 49 -3.781 4.804 1.353 1.00 0.00 N ATOM 623 CA ILE A 49 -4.961 5.311 2.116 1.00 0.00 C ATOM 624 C ILE A 49 -6.266 4.931 1.418 1.00 0.00 C ATOM 625 O ILE A 49 -7.115 4.276 1.991 1.00 0.00 O ATOM 626 CB ILE A 49 -4.865 6.832 2.243 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.680 7.167 3.141 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.150 7.390 2.868 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.399 8.669 3.083 1.00 0.00 C ATOM 0 H ILE A 49 -3.133 5.523 1.031 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.959 4.856 3.106 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.732 7.276 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.892 6.866 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.800 6.610 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.072 8.474 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.002 7.137 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.291 6.957 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.551 8.906 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.168 8.957 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.277 9.217 3.424 1.00 0.00 H new ATOM 641 N GLN A 50 -6.449 5.344 0.200 1.00 0.00 N ATOM 642 CA GLN A 50 -7.718 5.007 -0.502 1.00 0.00 C ATOM 643 C GLN A 50 -7.868 3.491 -0.561 1.00 0.00 C ATOM 644 O GLN A 50 -8.962 2.971 -0.655 1.00 0.00 O ATOM 645 CB GLN A 50 -7.695 5.580 -1.920 1.00 0.00 C ATOM 646 CG GLN A 50 -6.389 5.193 -2.611 1.00 0.00 C ATOM 647 CD GLN A 50 -6.357 5.800 -4.014 1.00 0.00 C ATOM 648 OE1 GLN A 50 -5.988 5.143 -4.966 1.00 0.00 O ATOM 649 NE2 GLN A 50 -6.735 7.039 -4.182 1.00 0.00 N ATOM 0 H GLN A 50 -5.782 5.896 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.560 5.438 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.544 5.202 -2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.792 6.665 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.538 5.548 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.304 4.108 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.045 7.591 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.720 7.455 -5.113 1.00 0.00 H new ATOM 658 N ALA A 51 -6.782 2.771 -0.488 1.00 0.00 N ATOM 659 CA ALA A 51 -6.877 1.288 -0.517 1.00 0.00 C ATOM 660 C ALA A 51 -7.594 0.825 0.749 1.00 0.00 C ATOM 661 O ALA A 51 -8.346 -0.129 0.737 1.00 0.00 O ATOM 662 CB ALA A 51 -5.476 0.673 -0.571 1.00 0.00 C ATOM 0 H ALA A 51 -5.837 3.146 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.430 0.970 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.556 -0.414 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.962 1.016 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.911 0.978 0.309 1.00 0.00 H new ATOM 668 N ASN A 52 -7.369 1.501 1.845 1.00 0.00 N ATOM 669 CA ASN A 52 -8.043 1.102 3.108 1.00 0.00 C ATOM 670 C ASN A 52 -9.546 1.353 2.982 1.00 0.00 C ATOM 671 O ASN A 52 -10.356 0.577 3.449 1.00 0.00 O ATOM 672 CB ASN A 52 -7.476 1.926 4.264 1.00 0.00 C ATOM 673 CG ASN A 52 -6.116 1.361 4.678 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.861 0.183 4.518 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.227 2.157 5.204 1.00 0.00 N ATOM 0 H ASN A 52 -6.750 2.308 1.917 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.870 0.043 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.372 2.969 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.163 1.905 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.316 1.792 5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.443 3.145 5.338 1.00 0.00 H new ATOM 682 N ILE A 53 -9.928 2.429 2.352 1.00 0.00 N ATOM 683 CA ILE A 53 -11.379 2.719 2.200 1.00 0.00 C ATOM 684 C ILE A 53 -11.985 1.717 1.216 1.00 0.00 C ATOM 685 O ILE A 53 -13.131 1.329 1.336 1.00 0.00 O ATOM 686 CB ILE A 53 -11.565 4.148 1.687 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.893 5.120 2.662 1.00 0.00 C ATOM 688 CG2 ILE A 53 -13.060 4.471 1.596 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.950 6.543 2.102 1.00 0.00 C ATOM 0 H ILE A 53 -9.300 3.117 1.937 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.882 2.627 3.163 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.115 4.244 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.392 5.081 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.856 4.826 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.191 5.490 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.542 3.775 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.513 4.379 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.470 7.228 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.430 6.578 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.990 6.837 1.961 1.00 0.00 H new ATOM 701 N GLU A 54 -11.217 1.271 0.258 1.00 0.00 N ATOM 702 CA GLU A 54 -11.744 0.270 -0.711 1.00 0.00 C ATOM 703 C GLU A 54 -11.933 -1.053 0.024 1.00 0.00 C ATOM 704 O GLU A 54 -12.689 -1.909 -0.392 1.00 0.00 O ATOM 705 CB GLU A 54 -10.744 0.068 -1.851 1.00 0.00 C ATOM 706 CG GLU A 54 -10.716 1.307 -2.746 1.00 0.00 C ATOM 707 CD GLU A 54 -9.533 1.206 -3.711 1.00 0.00 C ATOM 708 OE1 GLU A 54 -9.233 0.101 -4.135 1.00 0.00 O ATOM 709 OE2 GLU A 54 -8.946 2.232 -4.010 1.00 0.00 O ATOM 0 H GLU A 54 -10.250 1.557 0.106 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.689 0.620 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.750 -0.120 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.020 -0.808 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.649 1.388 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.628 2.207 -2.138 1.00 0.00 H new ATOM 716 N LEU A 55 -11.247 -1.222 1.120 1.00 0.00 N ATOM 717 CA LEU A 55 -11.378 -2.485 1.895 1.00 0.00 C ATOM 718 C LEU A 55 -12.851 -2.670 2.269 1.00 0.00 C ATOM 719 O LEU A 55 -13.354 -3.774 2.345 1.00 0.00 O ATOM 720 CB LEU A 55 -10.511 -2.381 3.167 1.00 0.00 C ATOM 721 CG LEU A 55 -9.940 -3.752 3.549 1.00 0.00 C ATOM 722 CD1 LEU A 55 -9.164 -3.624 4.862 1.00 0.00 C ATOM 723 CD2 LEU A 55 -11.082 -4.759 3.728 1.00 0.00 C ATOM 0 H LEU A 55 -10.600 -0.538 1.512 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.043 -3.339 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.696 -1.676 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.109 -1.989 3.990 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.275 -4.101 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.755 -4.596 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.350 -2.911 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.834 -3.274 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.671 -5.731 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.750 -4.415 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.638 -4.848 2.795 1.00 0.00 H new ATOM 735 N PHE A 56 -13.542 -1.587 2.491 1.00 0.00 N ATOM 736 CA PHE A 56 -14.981 -1.680 2.846 1.00 0.00 C ATOM 737 C PHE A 56 -15.780 -2.003 1.583 1.00 0.00 C ATOM 738 O PHE A 56 -16.994 -2.029 1.591 1.00 0.00 O ATOM 739 CB PHE A 56 -15.443 -0.343 3.433 1.00 0.00 C ATOM 740 CG PHE A 56 -14.889 -0.193 4.830 1.00 0.00 C ATOM 741 CD1 PHE A 56 -13.623 0.373 5.027 1.00 0.00 C ATOM 742 CD2 PHE A 56 -15.640 -0.626 5.929 1.00 0.00 C ATOM 743 CE1 PHE A 56 -13.109 0.504 6.322 1.00 0.00 C ATOM 744 CE2 PHE A 56 -15.126 -0.494 7.225 1.00 0.00 C ATOM 745 CZ PHE A 56 -13.860 0.070 7.422 1.00 0.00 C ATOM 0 H PHE A 56 -13.169 -0.639 2.441 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.138 -2.465 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -15.103 0.480 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.532 -0.299 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.044 0.708 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.616 -1.062 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.133 0.940 6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -15.706 -0.827 8.073 1.00 0.00 H new ATOM 0 HZ PHE A 56 -13.463 0.170 8.421 1.00 0.00 H new ATOM 755 N SER A 57 -15.100 -2.252 0.494 1.00 0.00 N ATOM 756 CA SER A 57 -15.810 -2.581 -0.775 1.00 0.00 C ATOM 757 C SER A 57 -16.860 -1.510 -1.070 1.00 0.00 C ATOM 758 O SER A 57 -17.759 -1.711 -1.862 1.00 0.00 O ATOM 759 CB SER A 57 -16.494 -3.941 -0.637 1.00 0.00 C ATOM 760 OG SER A 57 -17.189 -4.240 -1.839 1.00 0.00 O ATOM 0 H SER A 57 -14.082 -2.241 0.430 1.00 0.00 H new ATOM 0 HA SER A 57 -15.091 -2.616 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.754 -4.714 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.187 -3.929 0.204 1.00 0.00 H new ATOM 0 HG SER A 57 -17.785 -3.496 -2.066 1.00 0.00 H new ATOM 766 N GLY A 58 -16.755 -0.370 -0.442 1.00 0.00 N ATOM 767 CA GLY A 58 -17.746 0.720 -0.687 1.00 0.00 C ATOM 768 C GLY A 58 -18.897 0.604 0.313 1.00 0.00 C ATOM 769 O GLY A 58 -18.761 0.012 1.365 1.00 0.00 O ATOM 0 H GLY A 58 -16.024 -0.145 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.263 1.692 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.128 0.655 -1.706 1.00 0.00 H new ATOM 773 N HIS A 59 -20.032 1.168 -0.007 1.00 0.00 N ATOM 774 CA HIS A 59 -21.193 1.095 0.926 1.00 0.00 C ATOM 775 C HIS A 59 -22.492 1.243 0.130 1.00 0.00 C ATOM 776 O HIS A 59 -23.571 1.302 0.688 1.00 0.00 O ATOM 777 CB HIS A 59 -21.089 2.226 1.952 1.00 0.00 C ATOM 778 CG HIS A 59 -20.725 3.507 1.250 1.00 0.00 C ATOM 779 ND1 HIS A 59 -21.642 4.220 0.495 1.00 0.00 N ATOM 780 CD2 HIS A 59 -19.550 4.217 1.181 1.00 0.00 C ATOM 781 CE1 HIS A 59 -21.012 5.304 0.009 1.00 0.00 C ATOM 782 NE2 HIS A 59 -19.735 5.351 0.396 1.00 0.00 N ATOM 0 H HIS A 59 -20.204 1.676 -0.875 1.00 0.00 H new ATOM 0 HA HIS A 59 -21.191 0.135 1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -22.037 2.343 2.478 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.336 1.983 2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -18.625 3.937 1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.482 6.047 -0.618 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -19.044 6.065 0.166 1.00 0.00 H new TER 790 HIS A 59