USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 56 ASN : amide:sc= 0.0281 X(o=0.028,f=0.037) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot 107:sc= 0.959 USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.553 F(o=-3.9!,f=0.41) USER MOD Single : A 19 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 59:sc= 0.0176 USER MOD Single : A 42 ASN : amide:sc= -6.01! C(o=-6!,f=-8.6!) USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= -1.37 (180deg=-2.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.213 USER MOD Single : A 50 ASN : amide:sc= -5.09! C(o=-5.1!,f=-5.4!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.56 F(o=-3!,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.012 X(o=0.012,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.546 1.742 -1.603 1.00 0.00 N ATOM 2 CA CYS A 18 16.532 0.901 -2.238 1.00 0.00 C ATOM 3 C CYS A 18 16.982 -0.533 -2.145 1.00 0.00 C ATOM 4 O CYS A 18 18.128 -0.867 -2.478 1.00 0.00 O ATOM 5 CB CYS A 18 16.293 1.218 -3.731 1.00 0.00 C ATOM 6 SG CYS A 18 16.287 2.993 -4.161 1.00 0.00 S ATOM 0 HA CYS A 18 15.597 1.093 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.065 0.721 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.338 0.786 -4.029 1.00 0.00 H new ATOM 11 N GLN A 19 16.078 -1.366 -1.676 1.00 0.00 N ATOM 12 CA GLN A 19 16.323 -2.780 -1.548 1.00 0.00 C ATOM 13 C GLN A 19 15.133 -3.536 -2.133 1.00 0.00 C ATOM 14 O GLN A 19 14.049 -3.587 -1.547 1.00 0.00 O ATOM 15 CB GLN A 19 16.635 -3.124 -0.070 1.00 0.00 C ATOM 16 CG GLN A 19 15.819 -2.351 0.980 1.00 0.00 C ATOM 17 CD GLN A 19 14.720 -3.174 1.615 1.00 0.00 C ATOM 18 OE1 GLN A 19 14.950 -3.884 2.595 1.00 0.00 O ATOM 19 NE2 GLN A 19 13.515 -3.071 1.075 1.00 0.00 N ATOM 0 H GLN A 19 15.148 -1.076 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 19 17.202 -3.090 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.467 -4.191 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.694 -2.940 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.491 -1.993 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.379 -1.471 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.370 -2.471 0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.732 -3.592 1.471 1.00 0.00 H new ATOM 28 N LEU A 20 15.376 -4.111 -3.312 1.00 0.00 N ATOM 29 CA LEU A 20 14.369 -4.851 -4.070 1.00 0.00 C ATOM 30 C LEU A 20 14.300 -6.335 -3.685 1.00 0.00 C ATOM 31 O LEU A 20 15.113 -7.168 -4.112 1.00 0.00 O ATOM 32 CB LEU A 20 14.634 -4.671 -5.596 1.00 0.00 C ATOM 33 CG LEU A 20 13.459 -4.907 -6.600 1.00 0.00 C ATOM 34 CD1 LEU A 20 13.275 -6.389 -6.913 1.00 0.00 C ATOM 35 CD2 LEU A 20 12.139 -4.305 -6.112 1.00 0.00 C ATOM 0 H LEU A 20 16.286 -4.075 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 20 13.392 -4.437 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.000 -3.656 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.444 -5.346 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 20 13.740 -4.389 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.449 -6.513 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.189 -6.784 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.054 -6.931 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.357 -4.498 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.862 -4.758 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.256 -3.229 -5.981 1.00 0.00 H new ATOM 47 N PHE A 21 13.313 -6.612 -2.838 1.00 0.00 N ATOM 48 CA PHE A 21 12.972 -7.962 -2.375 1.00 0.00 C ATOM 49 C PHE A 21 11.439 -8.034 -2.214 1.00 0.00 C ATOM 50 O PHE A 21 10.867 -7.445 -1.287 1.00 0.00 O ATOM 51 CB PHE A 21 13.764 -8.361 -1.084 1.00 0.00 C ATOM 52 CG PHE A 21 13.225 -7.860 0.241 1.00 0.00 C ATOM 53 CD1 PHE A 21 13.527 -6.588 0.703 1.00 0.00 C ATOM 54 CD2 PHE A 21 12.416 -8.675 1.021 1.00 0.00 C ATOM 55 CE1 PHE A 21 13.033 -6.142 1.915 1.00 0.00 C ATOM 56 CE2 PHE A 21 11.920 -8.233 2.231 1.00 0.00 C ATOM 57 CZ PHE A 21 12.229 -6.965 2.679 1.00 0.00 C ATOM 0 H PHE A 21 12.711 -5.890 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 21 13.279 -8.705 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.812 -9.449 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.787 -8.001 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.154 -5.939 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.171 -9.669 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.276 -5.149 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.291 -8.879 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.843 -6.617 3.626 1.00 0.00 H new ATOM 67 N CYS A 22 10.781 -8.709 -3.161 1.00 0.00 N ATOM 68 CA CYS A 22 9.319 -8.814 -3.161 1.00 0.00 C ATOM 69 C CYS A 22 8.792 -10.224 -2.817 1.00 0.00 C ATOM 70 O CYS A 22 8.898 -11.143 -3.642 1.00 0.00 O ATOM 71 CB CYS A 22 8.763 -8.359 -4.519 1.00 0.00 C ATOM 72 SG CYS A 22 8.244 -6.608 -4.590 1.00 0.00 S ATOM 0 H CYS A 22 11.237 -9.190 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 22 8.965 -8.158 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.523 -8.529 -5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.909 -8.987 -4.774 1.00 0.00 H new ATOM 77 N PRO A 23 8.235 -10.433 -1.571 1.00 0.00 N ATOM 78 CA PRO A 23 7.631 -11.724 -1.169 1.00 0.00 C ATOM 79 C PRO A 23 6.175 -11.845 -1.665 1.00 0.00 C ATOM 80 O PRO A 23 5.562 -10.830 -2.023 1.00 0.00 O ATOM 81 CB PRO A 23 7.666 -11.689 0.375 1.00 0.00 C ATOM 82 CG PRO A 23 8.296 -10.381 0.762 1.00 0.00 C ATOM 83 CD PRO A 23 8.207 -9.475 -0.437 1.00 0.00 C ATOM 0 HA PRO A 23 8.166 -12.574 -1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.660 -11.771 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.241 -12.527 0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.779 -9.942 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.335 -10.527 1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.292 -8.882 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.041 -8.774 -0.478 1.00 0.00 H new ATOM 91 N MET A 24 5.624 -13.073 -1.684 1.00 0.00 N ATOM 92 CA MET A 24 4.241 -13.282 -2.145 1.00 0.00 C ATOM 93 C MET A 24 3.258 -13.334 -0.964 1.00 0.00 C ATOM 94 O MET A 24 3.016 -14.395 -0.368 1.00 0.00 O ATOM 95 CB MET A 24 4.145 -14.561 -2.997 1.00 0.00 C ATOM 96 CG MET A 24 4.655 -14.395 -4.424 1.00 0.00 C ATOM 97 SD MET A 24 4.543 -15.914 -5.395 1.00 0.00 S ATOM 98 CE MET A 24 6.087 -16.721 -4.970 1.00 0.00 C ATOM 0 H MET A 24 6.107 -13.922 -1.390 1.00 0.00 H new ATOM 0 HA MET A 24 3.962 -12.431 -2.767 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.712 -15.354 -2.509 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.105 -14.887 -3.029 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.083 -13.611 -4.919 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.693 -14.064 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.157 -17.673 -5.496 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.922 -16.084 -5.260 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.121 -16.897 -3.895 1.00 0.00 H new ATOM 108 N ILE A 25 2.725 -12.147 -0.619 1.00 0.00 N ATOM 109 CA ILE A 25 1.750 -11.969 0.465 1.00 0.00 C ATOM 110 C ILE A 25 0.847 -10.777 0.148 1.00 0.00 C ATOM 111 O ILE A 25 1.252 -9.878 -0.599 1.00 0.00 O ATOM 112 CB ILE A 25 2.385 -11.714 1.871 1.00 0.00 C ATOM 113 CG1 ILE A 25 3.925 -11.677 1.855 1.00 0.00 C ATOM 114 CG2 ILE A 25 1.896 -12.763 2.861 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.510 -10.410 2.447 1.00 0.00 C ATOM 0 H ILE A 25 2.964 -11.276 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 25 1.202 -12.909 0.518 1.00 0.00 H new ATOM 0 HB ILE A 25 2.058 -10.722 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.306 -12.536 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.272 -11.781 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.343 -12.578 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.810 -12.708 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.184 -13.755 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.598 -10.456 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.159 -9.548 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.194 -10.314 3.486 1.00 0.00 H new ATOM 127 N TYR A 26 -0.387 -10.785 0.673 1.00 0.00 N ATOM 128 CA TYR A 26 -1.304 -9.665 0.465 1.00 0.00 C ATOM 129 C TYR A 26 -1.529 -8.935 1.786 1.00 0.00 C ATOM 130 O TYR A 26 -2.317 -9.351 2.646 1.00 0.00 O ATOM 131 CB TYR A 26 -2.611 -10.145 -0.172 1.00 0.00 C ATOM 132 CG TYR A 26 -3.543 -9.044 -0.663 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.436 -8.535 -1.953 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.529 -8.519 0.166 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.282 -7.540 -2.401 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.380 -7.523 -0.276 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.251 -7.036 -1.559 1.00 0.00 C ATOM 138 OH TYR A 26 -6.095 -6.045 -2.003 1.00 0.00 O ATOM 0 H TYR A 26 -0.766 -11.546 1.237 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.862 -8.955 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.368 -10.794 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.148 -10.754 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.678 -8.925 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.632 -8.896 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.185 -7.158 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.142 -7.129 0.380 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.720 -5.803 -1.288 1.00 0.00 H new ATOM 148 N ALA A 27 -0.775 -7.849 1.913 1.00 0.00 N ATOM 149 CA ALA A 27 -0.799 -6.980 3.098 1.00 0.00 C ATOM 150 C ALA A 27 -0.893 -5.487 2.705 1.00 0.00 C ATOM 151 O ALA A 27 0.099 -4.928 2.214 1.00 0.00 O ATOM 152 CB ALA A 27 0.433 -7.232 3.970 1.00 0.00 C ATOM 0 H ALA A 27 -0.122 -7.539 1.193 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.691 -7.226 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.400 -6.581 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.443 -8.273 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.335 -7.022 3.395 1.00 0.00 H new ATOM 158 N PRO A 28 -2.076 -4.803 2.885 1.00 0.00 N ATOM 159 CA PRO A 28 -2.217 -3.361 2.556 1.00 0.00 C ATOM 160 C PRO A 28 -1.479 -2.452 3.555 1.00 0.00 C ATOM 161 O PRO A 28 -1.641 -2.601 4.772 1.00 0.00 O ATOM 162 CB PRO A 28 -3.737 -3.107 2.626 1.00 0.00 C ATOM 163 CG PRO A 28 -4.371 -4.458 2.695 1.00 0.00 C ATOM 164 CD PRO A 28 -3.367 -5.355 3.361 1.00 0.00 C ATOM 0 HA PRO A 28 -1.781 -3.132 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.994 -2.509 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.083 -2.557 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.301 -4.424 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.620 -4.823 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.448 -5.318 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.496 -6.397 3.067 1.00 0.00 H new ATOM 172 N ILE A 29 -0.669 -1.522 3.028 1.00 0.00 N ATOM 173 CA ILE A 29 0.101 -0.589 3.875 1.00 0.00 C ATOM 174 C ILE A 29 -0.222 0.870 3.522 1.00 0.00 C ATOM 175 O ILE A 29 -0.324 1.226 2.344 1.00 0.00 O ATOM 176 CB ILE A 29 1.655 -0.819 3.750 1.00 0.00 C ATOM 177 CG1 ILE A 29 2.039 -2.331 3.629 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.419 -0.153 4.912 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.698 -3.225 4.825 1.00 0.00 C ATOM 0 H ILE A 29 -0.528 -1.393 2.026 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.196 -0.790 4.904 1.00 0.00 H new ATOM 0 HB ILE A 29 1.957 -0.340 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.544 -2.738 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.112 -2.396 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.488 -0.331 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.227 0.920 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.083 -0.576 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.014 -4.247 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.215 -2.859 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.622 -3.206 4.998 1.00 0.00 H new ATOM 191 N CYS A 30 -0.375 1.703 4.573 1.00 0.00 N ATOM 192 CA CYS A 30 -0.671 3.134 4.418 1.00 0.00 C ATOM 193 C CYS A 30 0.593 3.968 4.615 1.00 0.00 C ATOM 194 O CYS A 30 1.389 3.695 5.522 1.00 0.00 O ATOM 195 CB CYS A 30 -1.741 3.562 5.421 1.00 0.00 C ATOM 196 SG CYS A 30 -3.051 4.596 4.692 1.00 0.00 S ATOM 0 H CYS A 30 -0.297 1.401 5.544 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.044 3.301 3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.193 2.672 5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.266 4.111 6.234 1.00 0.00 H new ATOM 201 N ALA A 31 0.765 4.987 3.757 1.00 0.00 N ATOM 202 CA ALA A 31 1.928 5.870 3.792 1.00 0.00 C ATOM 203 C ALA A 31 1.527 7.290 3.412 1.00 0.00 C ATOM 204 O ALA A 31 0.798 7.488 2.434 1.00 0.00 O ATOM 205 CB ALA A 31 3.008 5.363 2.843 1.00 0.00 C ATOM 0 H ALA A 31 0.097 5.217 3.021 1.00 0.00 H new ATOM 0 HA ALA A 31 2.326 5.876 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.868 6.031 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.314 4.361 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.615 5.334 1.827 1.00 0.00 H new ATOM 211 N THR A 32 2.027 8.269 4.169 1.00 0.00 N ATOM 212 CA THR A 32 1.707 9.678 3.922 1.00 0.00 C ATOM 213 C THR A 32 2.969 10.529 3.798 1.00 0.00 C ATOM 214 O THR A 32 3.895 10.410 4.610 1.00 0.00 O ATOM 215 CB THR A 32 0.762 10.296 5.006 1.00 0.00 C ATOM 216 OG1 THR A 32 0.423 11.643 4.647 1.00 0.00 O ATOM 217 CG2 THR A 32 1.360 10.306 6.421 1.00 0.00 C ATOM 0 H THR A 32 2.655 8.113 4.958 1.00 0.00 H new ATOM 0 HA THR A 32 1.171 9.689 2.973 1.00 0.00 H new ATOM 0 HB THR A 32 -0.119 9.655 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.507 11.676 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.646 10.749 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.580 9.284 6.730 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.279 10.892 6.423 1.00 0.00 H new ATOM 225 N ASP A 33 2.985 11.366 2.771 1.00 0.00 N ATOM 226 CA ASP A 33 4.099 12.296 2.542 1.00 0.00 C ATOM 227 C ASP A 33 3.635 13.754 2.780 1.00 0.00 C ATOM 228 O ASP A 33 4.131 14.696 2.146 1.00 0.00 O ATOM 229 CB ASP A 33 4.652 12.104 1.119 1.00 0.00 C ATOM 230 CG ASP A 33 6.115 12.503 0.995 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.382 13.688 0.699 1.00 0.00 O ATOM 232 OD2 ASP A 33 6.987 11.633 1.193 1.00 0.00 O ATOM 0 H ASP A 33 2.240 11.426 2.077 1.00 0.00 H new ATOM 0 HA ASP A 33 4.901 12.085 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.539 11.059 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.059 12.695 0.421 1.00 0.00 H new ATOM 237 N GLY A 34 2.690 13.926 3.736 1.00 0.00 N ATOM 238 CA GLY A 34 2.119 15.253 4.045 1.00 0.00 C ATOM 239 C GLY A 34 0.864 15.521 3.216 1.00 0.00 C ATOM 240 O GLY A 34 -0.082 16.177 3.663 1.00 0.00 O ATOM 0 H GLY A 34 2.311 13.166 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.876 15.309 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.861 16.026 3.847 1.00 0.00 H new ATOM 244 N VAL A 35 0.910 14.979 1.997 1.00 0.00 N ATOM 245 CA VAL A 35 -0.139 15.019 0.982 1.00 0.00 C ATOM 246 C VAL A 35 -1.104 13.844 1.204 1.00 0.00 C ATOM 247 O VAL A 35 -0.806 12.972 2.033 1.00 0.00 O ATOM 248 CB VAL A 35 0.460 14.945 -0.452 1.00 0.00 C ATOM 249 CG1 VAL A 35 0.886 16.326 -0.933 1.00 0.00 C ATOM 250 CG2 VAL A 35 1.637 13.962 -0.536 1.00 0.00 C ATOM 0 H VAL A 35 1.733 14.469 1.675 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.674 15.964 1.074 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.326 14.571 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.302 16.249 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.021 16.989 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.641 16.730 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.023 13.943 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.426 14.280 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.298 12.964 -0.258 1.00 0.00 H new ATOM 260 N SER A 36 -2.260 13.822 0.501 1.00 0.00 N ATOM 261 CA SER A 36 -3.229 12.721 0.653 1.00 0.00 C ATOM 262 C SER A 36 -2.494 11.390 0.435 1.00 0.00 C ATOM 263 O SER A 36 -1.786 11.206 -0.564 1.00 0.00 O ATOM 264 CB SER A 36 -4.383 12.876 -0.348 1.00 0.00 C ATOM 265 OG SER A 36 -5.454 11.997 -0.043 1.00 0.00 O ATOM 0 H SER A 36 -2.538 14.543 -0.165 1.00 0.00 H new ATOM 0 HA SER A 36 -3.658 12.742 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.741 13.906 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.021 12.675 -1.356 1.00 0.00 H new ATOM 0 HG SER A 36 -6.174 12.120 -0.696 1.00 0.00 H new ATOM 271 N GLN A 37 -2.683 10.483 1.397 1.00 0.00 N ATOM 272 CA GLN A 37 -1.966 9.198 1.459 1.00 0.00 C ATOM 273 C GLN A 37 -2.510 8.137 0.516 1.00 0.00 C ATOM 274 O GLN A 37 -3.636 8.224 0.016 1.00 0.00 O ATOM 275 CB GLN A 37 -1.945 8.648 2.899 1.00 0.00 C ATOM 276 CG GLN A 37 -3.043 9.159 3.810 1.00 0.00 C ATOM 277 CD GLN A 37 -2.561 10.265 4.724 1.00 0.00 C ATOM 278 OE1 GLN A 37 -2.322 11.444 4.158 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.370 10.054 5.923 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.343 10.617 2.163 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.952 9.420 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.010 7.561 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.982 8.891 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.873 9.526 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.427 8.335 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.567 9.134 6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.015 10.800 6.522 1.00 0.00 H new ATOM 288 N ARG A 38 -1.656 7.133 0.301 1.00 0.00 N ATOM 289 CA ARG A 38 -1.942 6.011 -0.583 1.00 0.00 C ATOM 290 C ARG A 38 -1.712 4.678 0.131 1.00 0.00 C ATOM 291 O ARG A 38 -0.920 4.591 1.077 1.00 0.00 O ATOM 292 CB ARG A 38 -1.060 6.099 -1.837 1.00 0.00 C ATOM 293 CG ARG A 38 -1.759 5.631 -3.096 1.00 0.00 C ATOM 294 CD ARG A 38 -0.791 5.491 -4.260 1.00 0.00 C ATOM 295 NE ARG A 38 -1.472 5.079 -5.495 1.00 0.00 N ATOM 296 CZ ARG A 38 -0.998 5.275 -6.737 1.00 0.00 C ATOM 297 NH1 ARG A 38 0.169 5.881 -6.949 1.00 0.00 N ATOM 298 NH2 ARG A 38 -1.708 4.860 -7.778 1.00 0.00 N ATOM 0 H ARG A 38 -0.738 7.080 0.743 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.991 6.061 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.735 7.131 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.162 5.500 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.243 4.672 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.545 6.339 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.283 6.441 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.024 4.759 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.372 4.609 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.725 6.208 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.507 6.018 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.605 4.397 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.357 5.004 -8.725 1.00 0.00 H new ATOM 312 N THR A 39 -2.416 3.646 -0.345 1.00 0.00 N ATOM 313 CA THR A 39 -2.321 2.300 0.217 1.00 0.00 C ATOM 314 C THR A 39 -1.726 1.332 -0.810 1.00 0.00 C ATOM 315 O THR A 39 -2.245 1.202 -1.926 1.00 0.00 O ATOM 316 CB THR A 39 -3.700 1.766 0.695 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.616 2.850 0.914 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.565 0.963 1.986 1.00 0.00 C ATOM 0 H THR A 39 -3.065 3.722 -1.128 1.00 0.00 H new ATOM 0 HA THR A 39 -1.666 2.364 1.086 1.00 0.00 H new ATOM 0 HB THR A 39 -4.084 1.115 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.479 2.494 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.546 0.603 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.903 0.113 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.149 1.598 2.768 1.00 0.00 H new ATOM 326 N PHE A 40 -0.628 0.669 -0.418 1.00 0.00 N ATOM 327 CA PHE A 40 0.063 -0.304 -1.276 1.00 0.00 C ATOM 328 C PHE A 40 -0.415 -1.727 -0.966 1.00 0.00 C ATOM 329 O PHE A 40 -0.967 -1.982 0.110 1.00 0.00 O ATOM 330 CB PHE A 40 1.591 -0.212 -1.079 1.00 0.00 C ATOM 331 CG PHE A 40 2.203 1.118 -1.460 1.00 0.00 C ATOM 332 CD1 PHE A 40 2.202 2.183 -0.569 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.785 1.297 -2.706 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.768 3.396 -0.914 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.353 2.509 -3.055 1.00 0.00 C ATOM 336 CZ PHE A 40 3.344 3.558 -2.158 1.00 0.00 C ATOM 0 H PHE A 40 -0.196 0.791 0.498 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.173 -0.069 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.821 -0.415 -0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.067 -0.996 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.753 2.062 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.795 0.480 -3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.760 4.216 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.803 2.634 -4.029 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.787 4.505 -2.429 1.00 0.00 H new ATOM 346 N SER A 41 -0.192 -2.651 -1.916 1.00 0.00 N ATOM 347 CA SER A 41 -0.593 -4.060 -1.765 1.00 0.00 C ATOM 348 C SER A 41 0.355 -4.838 -0.834 1.00 0.00 C ATOM 349 O SER A 41 -0.015 -5.900 -0.322 1.00 0.00 O ATOM 350 CB SER A 41 -0.647 -4.732 -3.144 1.00 0.00 C ATOM 351 OG SER A 41 -1.349 -5.966 -3.092 1.00 0.00 O ATOM 0 H SER A 41 0.267 -2.445 -2.803 1.00 0.00 H new ATOM 0 HA SER A 41 -1.581 -4.076 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.132 -4.065 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.366 -4.903 -3.507 1.00 0.00 H new ATOM 0 HG SER A 41 -2.262 -5.810 -2.773 1.00 0.00 H new ATOM 357 N ASN A 42 1.575 -4.296 -0.617 1.00 0.00 N ATOM 358 CA ASN A 42 2.595 -4.929 0.247 1.00 0.00 C ATOM 359 C ASN A 42 3.771 -3.957 0.499 1.00 0.00 C ATOM 360 O ASN A 42 3.996 -3.065 -0.327 1.00 0.00 O ATOM 361 CB ASN A 42 3.128 -6.230 -0.408 1.00 0.00 C ATOM 362 CG ASN A 42 3.371 -7.356 0.580 1.00 0.00 C ATOM 363 OD1 ASN A 42 4.504 -7.613 0.981 1.00 0.00 O ATOM 364 ND2 ASN A 42 2.303 -8.033 0.980 1.00 0.00 N ATOM 0 H ASN A 42 1.878 -3.415 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 42 2.127 -5.175 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.414 -6.566 -1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.059 -6.009 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.405 -8.800 1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.380 -7.787 0.622 1.00 0.00 H new ATOM 371 N PRO A 43 4.552 -4.094 1.645 1.00 0.00 N ATOM 372 CA PRO A 43 5.721 -3.212 1.945 1.00 0.00 C ATOM 373 C PRO A 43 6.765 -3.112 0.815 1.00 0.00 C ATOM 374 O PRO A 43 7.491 -2.116 0.740 1.00 0.00 O ATOM 375 CB PRO A 43 6.358 -3.869 3.174 1.00 0.00 C ATOM 376 CG PRO A 43 5.230 -4.551 3.858 1.00 0.00 C ATOM 377 CD PRO A 43 4.343 -5.066 2.756 1.00 0.00 C ATOM 0 HA PRO A 43 5.386 -2.184 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.135 -4.578 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.826 -3.128 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.588 -5.366 4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.690 -3.861 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.620 -6.078 2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.299 -5.100 3.066 1.00 0.00 H new ATOM 385 N CYS A 44 6.834 -4.145 -0.058 1.00 0.00 N ATOM 386 CA CYS A 44 7.779 -4.155 -1.190 1.00 0.00 C ATOM 387 C CYS A 44 7.329 -3.205 -2.316 1.00 0.00 C ATOM 388 O CYS A 44 8.160 -2.625 -3.019 1.00 0.00 O ATOM 389 CB CYS A 44 7.956 -5.571 -1.746 1.00 0.00 C ATOM 390 SG CYS A 44 9.221 -5.699 -3.057 1.00 0.00 S ATOM 0 H CYS A 44 6.247 -4.977 0.003 1.00 0.00 H new ATOM 0 HA CYS A 44 8.737 -3.802 -0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.225 -6.241 -0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.001 -5.918 -2.141 1.00 0.00 H new ATOM 395 N ASP A 45 6.006 -3.074 -2.483 1.00 0.00 N ATOM 396 CA ASP A 45 5.409 -2.186 -3.493 1.00 0.00 C ATOM 397 C ASP A 45 5.586 -0.700 -3.128 1.00 0.00 C ATOM 398 O ASP A 45 5.555 0.167 -4.007 1.00 0.00 O ATOM 399 CB ASP A 45 3.919 -2.502 -3.667 1.00 0.00 C ATOM 400 CG ASP A 45 3.675 -3.778 -4.454 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.570 -3.697 -5.696 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.592 -4.855 -3.828 1.00 0.00 O ATOM 0 H ASP A 45 5.319 -3.579 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 45 5.932 -2.366 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.454 -2.592 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.433 -1.669 -4.175 1.00 0.00 H new ATOM 407 N LEU A 46 5.772 -0.430 -1.818 1.00 0.00 N ATOM 408 CA LEU A 46 5.911 0.919 -1.286 1.00 0.00 C ATOM 409 C LEU A 46 7.295 1.557 -1.508 1.00 0.00 C ATOM 410 O LEU A 46 7.379 2.640 -2.088 1.00 0.00 O ATOM 411 CB LEU A 46 5.633 0.831 0.228 1.00 0.00 C ATOM 412 CG LEU A 46 5.753 2.143 0.996 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.637 2.291 2.008 1.00 0.00 C ATOM 414 CD2 LEU A 46 7.106 2.266 1.689 1.00 0.00 C ATOM 0 H LEU A 46 5.829 -1.156 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 46 5.209 1.560 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.627 0.437 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.324 0.110 0.665 1.00 0.00 H new ATOM 0 HG LEU A 46 5.669 2.947 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.750 3.236 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.676 2.277 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.680 1.467 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.155 3.213 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.230 1.443 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.901 2.230 0.944 1.00 0.00 H new ATOM 426 N LYS A 47 8.367 0.871 -1.064 1.00 0.00 N ATOM 427 CA LYS A 47 9.734 1.391 -1.154 1.00 0.00 C ATOM 428 C LYS A 47 10.194 1.639 -2.598 1.00 0.00 C ATOM 429 O LYS A 47 10.920 2.598 -2.877 1.00 0.00 O ATOM 430 CB LYS A 47 10.682 0.453 -0.377 1.00 0.00 C ATOM 431 CG LYS A 47 11.348 -0.684 -1.159 1.00 0.00 C ATOM 432 CD LYS A 47 10.499 -1.941 -1.182 1.00 0.00 C ATOM 433 CE LYS A 47 11.097 -3.005 -2.095 1.00 0.00 C ATOM 434 NZ LYS A 47 10.943 -2.668 -3.541 1.00 0.00 N ATOM 0 H LYS A 47 8.304 -0.053 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 47 9.758 2.378 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.469 1.062 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.119 0.011 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.537 -0.357 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.316 -0.910 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.408 -2.338 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.492 -1.695 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.155 -3.125 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.617 -3.963 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.818 -2.910 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.150 -3.208 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.754 -1.650 -3.642 1.00 0.00 H new ATOM 448 N VAL A 48 9.757 0.744 -3.484 1.00 0.00 N ATOM 449 CA VAL A 48 10.043 0.803 -4.927 1.00 0.00 C ATOM 450 C VAL A 48 9.556 2.130 -5.543 1.00 0.00 C ATOM 451 O VAL A 48 10.241 2.725 -6.373 1.00 0.00 O ATOM 452 CB VAL A 48 9.406 -0.438 -5.639 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.935 -0.256 -6.027 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.240 -0.876 -6.841 1.00 0.00 C ATOM 0 H VAL A 48 9.184 -0.058 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 48 11.122 0.770 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 48 9.415 -1.233 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.573 -1.161 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.344 -0.064 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.841 0.587 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.772 -1.739 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.301 -0.058 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.243 -1.144 -6.510 1.00 0.00 H new ATOM 464 N TYR A 49 8.390 2.589 -5.067 1.00 0.00 N ATOM 465 CA TYR A 49 7.765 3.833 -5.539 1.00 0.00 C ATOM 466 C TYR A 49 8.590 5.059 -5.135 1.00 0.00 C ATOM 467 O TYR A 49 8.634 6.048 -5.852 1.00 0.00 O ATOM 468 CB TYR A 49 6.345 3.952 -4.972 1.00 0.00 C ATOM 469 CG TYR A 49 5.314 4.449 -5.970 1.00 0.00 C ATOM 470 CD1 TYR A 49 4.615 3.561 -6.782 1.00 0.00 C ATOM 471 CD2 TYR A 49 5.038 5.806 -6.096 1.00 0.00 C ATOM 472 CE1 TYR A 49 3.676 4.011 -7.689 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.099 6.263 -7.001 1.00 0.00 C ATOM 474 CZ TYR A 49 3.422 5.362 -7.795 1.00 0.00 C ATOM 475 OH TYR A 49 2.486 5.813 -8.698 1.00 0.00 O ATOM 0 H TYR A 49 7.854 2.109 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 49 7.722 3.797 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.032 2.977 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.363 4.629 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.810 2.502 -6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.567 6.515 -5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.143 3.308 -8.312 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.897 7.320 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 49 2.426 6.790 -8.647 1.00 0.00 H new ATOM 485 N ASN A 50 9.245 4.955 -3.975 1.00 0.00 N ATOM 486 CA ASN A 50 10.091 6.017 -3.411 1.00 0.00 C ATOM 487 C ASN A 50 11.433 6.139 -4.151 1.00 0.00 C ATOM 488 O ASN A 50 11.999 7.230 -4.258 1.00 0.00 O ATOM 489 CB ASN A 50 10.359 5.746 -1.913 1.00 0.00 C ATOM 490 CG ASN A 50 9.240 5.011 -1.167 1.00 0.00 C ATOM 491 OD1 ASN A 50 9.503 4.290 -0.207 1.00 0.00 O ATOM 492 ND2 ASN A 50 7.993 5.194 -1.590 1.00 0.00 N ATOM 0 H ASN A 50 9.203 4.120 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 50 9.551 6.956 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.275 5.162 -1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.539 6.699 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.220 4.729 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.810 5.799 -2.390 1.00 0.00 H new ATOM 499 N CYS A 51 11.916 4.991 -4.655 1.00 0.00 N ATOM 500 CA CYS A 51 13.201 4.877 -5.362 1.00 0.00 C ATOM 501 C CYS A 51 13.209 5.534 -6.757 1.00 0.00 C ATOM 502 O CYS A 51 14.086 6.358 -7.037 1.00 0.00 O ATOM 503 CB CYS A 51 13.569 3.394 -5.481 1.00 0.00 C ATOM 504 SG CYS A 51 15.306 3.072 -5.940 1.00 0.00 S ATOM 0 H CYS A 51 11.417 4.104 -4.581 1.00 0.00 H new ATOM 0 HA CYS A 51 13.939 5.422 -4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.363 2.905 -4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.920 2.931 -6.224 1.00 0.00 H new ATOM 509 N TRP A 52 12.242 5.167 -7.621 1.00 0.00 N ATOM 510 CA TRP A 52 12.189 5.712 -8.992 1.00 0.00 C ATOM 511 C TRP A 52 11.305 6.965 -9.160 1.00 0.00 C ATOM 512 O TRP A 52 11.361 7.627 -10.203 1.00 0.00 O ATOM 513 CB TRP A 52 11.868 4.605 -10.006 1.00 0.00 C ATOM 514 CG TRP A 52 10.570 3.860 -9.875 1.00 0.00 C ATOM 515 CD1 TRP A 52 10.352 2.690 -9.213 1.00 0.00 C ATOM 516 CD2 TRP A 52 9.337 4.207 -10.496 1.00 0.00 C ATOM 517 NE1 TRP A 52 9.043 2.297 -9.364 1.00 0.00 N ATOM 518 CE2 TRP A 52 8.398 3.217 -10.155 1.00 0.00 C ATOM 519 CE3 TRP A 52 8.941 5.273 -11.297 1.00 0.00 C ATOM 520 CZ2 TRP A 52 7.079 3.264 -10.599 1.00 0.00 C ATOM 521 CZ3 TRP A 52 7.633 5.324 -11.736 1.00 0.00 C ATOM 522 CH2 TRP A 52 6.715 4.324 -11.390 1.00 0.00 C ATOM 0 H TRP A 52 11.498 4.506 -7.399 1.00 0.00 H new ATOM 0 HA TRP A 52 13.191 6.085 -9.206 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.894 5.050 -11.001 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.675 3.873 -9.963 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.099 2.149 -8.651 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.621 1.462 -8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.644 6.046 -11.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.370 2.495 -10.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.312 6.148 -12.356 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.700 4.389 -11.753 1.00 0.00 H new ATOM 533 N ASN A 53 10.501 7.264 -8.142 1.00 0.00 N ATOM 534 CA ASN A 53 9.650 8.464 -8.113 1.00 0.00 C ATOM 535 C ASN A 53 10.264 9.517 -7.152 1.00 0.00 C ATOM 536 O ASN A 53 9.941 9.526 -5.954 1.00 0.00 O ATOM 537 CB ASN A 53 8.216 8.129 -7.663 1.00 0.00 C ATOM 538 CG ASN A 53 7.498 7.139 -8.558 1.00 0.00 C ATOM 539 OD1 ASN A 53 8.019 5.923 -8.628 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 6.491 7.466 -9.185 1.00 0.00 N flip ATOM 0 H ASN A 53 10.417 6.682 -7.308 1.00 0.00 H new ATOM 0 HA ASN A 53 9.602 8.867 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.250 7.728 -6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.636 9.051 -7.621 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.124 8.414 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.024 6.789 -9.788 1.00 0.00 H new ATOM 547 N PRO A 54 11.187 10.410 -7.642 1.00 0.00 N ATOM 548 CA PRO A 54 11.828 11.456 -6.796 1.00 0.00 C ATOM 549 C PRO A 54 10.871 12.589 -6.363 1.00 0.00 C ATOM 550 O PRO A 54 10.958 13.089 -5.237 1.00 0.00 O ATOM 551 CB PRO A 54 12.932 12.012 -7.716 1.00 0.00 C ATOM 552 CG PRO A 54 12.403 11.789 -9.093 1.00 0.00 C ATOM 553 CD PRO A 54 11.711 10.460 -9.034 1.00 0.00 C ATOM 0 HA PRO A 54 12.183 11.038 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.115 13.070 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.878 11.492 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.712 12.581 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.208 11.782 -9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.909 10.391 -9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.399 9.639 -9.235 1.00 0.00 H new ATOM 561 N ASP A 55 9.969 12.973 -7.285 1.00 0.00 N ATOM 562 CA ASP A 55 8.989 14.054 -7.057 1.00 0.00 C ATOM 563 C ASP A 55 7.796 13.644 -6.172 1.00 0.00 C ATOM 564 O ASP A 55 7.251 14.494 -5.460 1.00 0.00 O ATOM 565 CB ASP A 55 8.464 14.578 -8.397 1.00 0.00 C ATOM 566 CG ASP A 55 9.470 15.457 -9.118 1.00 0.00 C ATOM 567 OD1 ASP A 55 9.464 16.684 -8.882 1.00 0.00 O ATOM 568 OD2 ASP A 55 10.263 14.918 -9.918 1.00 0.00 O ATOM 0 H ASP A 55 9.898 12.544 -8.208 1.00 0.00 H new ATOM 0 HA ASP A 55 9.527 14.833 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.202 13.734 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.549 15.145 -8.227 1.00 0.00 H new ATOM 573 N ASN A 56 7.392 12.358 -6.216 1.00 0.00 N ATOM 574 CA ASN A 56 6.247 11.884 -5.419 1.00 0.00 C ATOM 575 C ASN A 56 6.604 10.654 -4.532 1.00 0.00 C ATOM 576 O ASN A 56 6.139 9.536 -4.802 1.00 0.00 O ATOM 577 CB ASN A 56 5.057 11.571 -6.349 1.00 0.00 C ATOM 578 CG ASN A 56 3.714 11.903 -5.721 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.207 13.016 -5.866 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.133 10.937 -5.020 1.00 0.00 N ATOM 0 H ASN A 56 7.836 11.639 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 56 5.967 12.684 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.168 12.134 -7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.077 10.514 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.230 11.102 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.590 10.030 -4.926 1.00 0.00 H new ATOM 587 N PRO A 57 7.454 10.829 -3.461 1.00 0.00 N ATOM 588 CA PRO A 57 7.829 9.734 -2.531 1.00 0.00 C ATOM 589 C PRO A 57 6.773 9.496 -1.431 1.00 0.00 C ATOM 590 O PRO A 57 5.939 10.371 -1.175 1.00 0.00 O ATOM 591 CB PRO A 57 9.150 10.231 -1.902 1.00 0.00 C ATOM 592 CG PRO A 57 9.465 11.541 -2.567 1.00 0.00 C ATOM 593 CD PRO A 57 8.158 12.073 -3.081 1.00 0.00 C ATOM 0 HA PRO A 57 7.915 8.780 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.045 10.357 -0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.952 9.511 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.918 12.237 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.177 11.403 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.616 12.633 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.294 12.742 -3.931 1.00 0.00 H new ATOM 601 N TYR A 58 6.810 8.308 -0.797 1.00 0.00 N ATOM 602 CA TYR A 58 5.877 7.967 0.284 1.00 0.00 C ATOM 603 C TYR A 58 6.632 7.438 1.502 1.00 0.00 C ATOM 604 O TYR A 58 7.659 6.765 1.358 1.00 0.00 O ATOM 605 CB TYR A 58 4.842 6.929 -0.180 1.00 0.00 C ATOM 606 CG TYR A 58 3.798 7.468 -1.144 1.00 0.00 C ATOM 607 CD1 TYR A 58 2.606 8.012 -0.675 1.00 0.00 C ATOM 608 CD2 TYR A 58 4.004 7.429 -2.520 1.00 0.00 C ATOM 609 CE1 TYR A 58 1.652 8.500 -1.547 1.00 0.00 C ATOM 610 CE2 TYR A 58 3.053 7.917 -3.397 1.00 0.00 C ATOM 611 CZ TYR A 58 1.879 8.450 -2.906 1.00 0.00 C ATOM 612 OH TYR A 58 0.931 8.935 -3.778 1.00 0.00 O ATOM 0 H TYR A 58 7.479 7.570 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 58 5.349 8.879 0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.366 6.101 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.335 6.524 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.424 8.053 0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.921 7.011 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.732 8.919 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.228 7.881 -4.462 1.00 0.00 H new ATOM 0 HH TYR A 58 1.247 8.826 -4.699 1.00 0.00 H new ATOM 622 N LYS A 59 6.111 7.745 2.701 1.00 0.00 N ATOM 623 CA LYS A 59 6.731 7.315 3.953 1.00 0.00 C ATOM 624 C LYS A 59 5.800 6.373 4.722 1.00 0.00 C ATOM 625 O LYS A 59 4.652 6.724 5.015 1.00 0.00 O ATOM 626 CB LYS A 59 7.103 8.534 4.808 1.00 0.00 C ATOM 627 CG LYS A 59 8.331 9.290 4.313 1.00 0.00 C ATOM 628 CD LYS A 59 8.632 10.497 5.191 1.00 0.00 C ATOM 629 CE LYS A 59 9.857 11.265 4.701 1.00 0.00 C ATOM 630 NZ LYS A 59 9.557 12.105 3.503 1.00 0.00 N ATOM 0 H LYS A 59 5.259 8.292 2.824 1.00 0.00 H new ATOM 0 HA LYS A 59 7.644 6.768 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.255 9.218 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.280 8.206 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.192 8.622 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.169 9.617 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.768 11.161 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.796 10.168 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.230 11.901 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.652 10.560 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.418 12.607 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.226 11.497 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.817 12.796 3.740 1.00 0.00 H new ATOM 644 N GLU A 60 6.325 5.179 5.061 1.00 0.00 N ATOM 645 CA GLU A 60 5.571 4.124 5.770 1.00 0.00 C ATOM 646 C GLU A 60 5.088 4.561 7.167 1.00 0.00 C ATOM 647 O GLU A 60 5.892 4.858 8.060 1.00 0.00 O ATOM 648 CB GLU A 60 6.430 2.853 5.873 1.00 0.00 C ATOM 649 CG GLU A 60 5.651 1.557 5.689 1.00 0.00 C ATOM 650 CD GLU A 60 6.532 0.328 5.784 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.707 -0.193 6.905 1.00 0.00 O ATOM 652 OE2 GLU A 60 7.048 -0.116 4.735 1.00 0.00 O ATOM 0 H GLU A 60 7.288 4.917 4.850 1.00 0.00 H new ATOM 0 HA GLU A 60 4.674 3.921 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.219 2.899 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.918 2.835 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.868 1.498 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.156 1.570 4.718 1.00 0.00 H new ATOM 659 N VAL A 61 3.756 4.608 7.312 1.00 0.00 N ATOM 660 CA VAL A 61 3.096 4.990 8.568 1.00 0.00 C ATOM 661 C VAL A 61 2.626 3.753 9.360 1.00 0.00 C ATOM 662 O VAL A 61 2.890 3.667 10.564 1.00 0.00 O ATOM 663 CB VAL A 61 1.870 5.931 8.285 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.335 6.584 9.558 1.00 0.00 C ATOM 665 CG2 VAL A 61 2.223 7.015 7.269 1.00 0.00 C ATOM 0 H VAL A 61 3.105 4.382 6.560 1.00 0.00 H new ATOM 0 HA VAL A 61 3.830 5.525 9.170 1.00 0.00 H new ATOM 0 HB VAL A 61 1.088 5.294 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.489 7.225 9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.013 5.811 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.121 7.183 10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.353 7.649 7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.043 7.622 7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.526 6.550 6.331 1.00 0.00 H new ATOM 675 N LYS A 62 1.945 2.799 8.679 1.00 0.00 N ATOM 676 CA LYS A 62 1.419 1.567 9.329 1.00 0.00 C ATOM 677 C LYS A 62 0.729 0.647 8.310 1.00 0.00 C ATOM 678 O LYS A 62 0.537 1.032 7.151 1.00 0.00 O ATOM 679 CB LYS A 62 0.375 1.936 10.409 1.00 0.00 C ATOM 680 CG LYS A 62 0.392 1.032 11.637 1.00 0.00 C ATOM 681 CD LYS A 62 -0.646 1.465 12.660 1.00 0.00 C ATOM 682 CE LYS A 62 -0.625 0.571 13.889 1.00 0.00 C ATOM 683 NZ LYS A 62 -1.633 0.993 14.900 1.00 0.00 N ATOM 0 H LYS A 62 1.746 2.856 7.680 1.00 0.00 H new ATOM 0 HA LYS A 62 2.270 1.051 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.548 2.964 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.619 1.903 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.200 0.002 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.383 1.052 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.458 2.497 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.637 1.439 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.819 -0.460 13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.369 0.592 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.587 0.358 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.434 1.968 15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.584 0.948 14.482 1.00 0.00 H new ATOM 697 N VAL A 63 0.357 -0.577 8.759 1.00 0.00 N ATOM 698 CA VAL A 63 -0.377 -1.514 7.913 1.00 0.00 C ATOM 699 C VAL A 63 -1.881 -1.394 8.260 1.00 0.00 C ATOM 700 O VAL A 63 -2.357 -1.945 9.262 1.00 0.00 O ATOM 701 CB VAL A 63 0.179 -2.988 8.073 1.00 0.00 C ATOM 702 CG1 VAL A 63 0.382 -3.394 9.539 1.00 0.00 C ATOM 703 CG2 VAL A 63 -0.708 -4.016 7.374 1.00 0.00 C ATOM 0 H VAL A 63 0.557 -0.924 9.697 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.240 -1.268 6.860 1.00 0.00 H new ATOM 0 HB VAL A 63 1.156 -2.980 7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.764 -4.414 9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.096 -2.717 10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.570 -3.340 10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.287 -5.012 7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.710 -3.983 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.761 -3.787 6.310 1.00 0.00 H new ATOM 713 N GLY A 64 -2.589 -0.646 7.411 1.00 0.00 N ATOM 714 CA GLY A 64 -4.014 -0.410 7.586 1.00 0.00 C ATOM 715 C GLY A 64 -4.544 0.577 6.565 1.00 0.00 C ATOM 716 O GLY A 64 -3.920 0.802 5.520 1.00 0.00 O ATOM 0 H GLY A 64 -2.189 -0.192 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.554 -1.353 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.200 -0.031 8.591 1.00 0.00 H new ATOM 720 N GLU A 65 -5.709 1.155 6.874 1.00 0.00 N ATOM 721 CA GLU A 65 -6.315 2.189 6.039 1.00 0.00 C ATOM 722 C GLU A 65 -6.322 3.498 6.830 1.00 0.00 C ATOM 723 O GLU A 65 -7.008 3.617 7.855 1.00 0.00 O ATOM 724 CB GLU A 65 -7.731 1.814 5.609 1.00 0.00 C ATOM 725 CG GLU A 65 -7.972 1.974 4.116 1.00 0.00 C ATOM 726 CD GLU A 65 -9.312 1.417 3.677 1.00 0.00 C ATOM 727 OE1 GLU A 65 -10.302 2.177 3.687 1.00 0.00 O ATOM 728 OE2 GLU A 65 -9.370 0.221 3.325 1.00 0.00 O ATOM 0 H GLU A 65 -6.253 0.919 7.704 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.730 2.299 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.927 0.780 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.444 2.434 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.919 3.031 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.176 1.470 3.568 1.00 0.00 H new ATOM 735 N CYS A 66 -5.535 4.459 6.353 1.00 0.00 N ATOM 736 CA CYS A 66 -5.390 5.752 7.018 1.00 0.00 C ATOM 737 C CYS A 66 -6.064 6.893 6.251 1.00 0.00 C ATOM 738 O CYS A 66 -6.181 6.853 5.021 1.00 0.00 O ATOM 739 CB CYS A 66 -3.899 6.051 7.236 1.00 0.00 C ATOM 740 SG CYS A 66 -2.927 6.343 5.717 1.00 0.00 S ATOM 0 H CYS A 66 -4.983 4.365 5.500 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.899 5.687 7.980 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.812 6.928 7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.454 5.216 7.777 1.00 0.00 H new ATOM 745 N ASP A 67 -6.499 7.907 7.014 1.00 0.00 N ATOM 746 CA ASP A 67 -7.160 9.097 6.472 1.00 0.00 C ATOM 747 C ASP A 67 -6.261 10.337 6.644 1.00 0.00 C ATOM 748 O ASP A 67 -5.200 10.254 7.274 1.00 0.00 O ATOM 749 CB ASP A 67 -8.516 9.309 7.166 1.00 0.00 C ATOM 750 CG ASP A 67 -9.581 8.339 6.684 1.00 0.00 C ATOM 751 OD1 ASP A 67 -9.703 7.248 7.279 1.00 0.00 O ATOM 752 OD2 ASP A 67 -10.291 8.672 5.712 1.00 0.00 O ATOM 0 H ASP A 67 -6.400 7.922 8.029 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.335 8.948 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.389 9.197 8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.854 10.330 6.989 1.00 0.00 H new ATOM 757 N ASP A 68 -6.696 11.484 6.081 1.00 0.00 N ATOM 758 CA ASP A 68 -5.941 12.757 6.157 1.00 0.00 C ATOM 759 C ASP A 68 -5.981 13.404 7.567 1.00 0.00 C ATOM 760 O ASP A 68 -5.229 14.348 7.840 1.00 0.00 O ATOM 761 CB ASP A 68 -6.445 13.754 5.084 1.00 0.00 C ATOM 762 CG ASP A 68 -7.956 13.984 5.100 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.408 14.902 5.816 1.00 0.00 O ATOM 764 OD2 ASP A 68 -8.677 13.245 4.398 1.00 0.00 O ATOM 0 H ASP A 68 -7.573 11.556 5.565 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.898 12.513 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.942 14.710 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.155 13.387 4.099 1.00 0.00 H new ATOM 769 N ALA A 69 -6.854 12.879 8.444 1.00 0.00 N ATOM 770 CA ALA A 69 -7.006 13.382 9.817 1.00 0.00 C ATOM 771 C ALA A 69 -6.192 12.550 10.834 1.00 0.00 C ATOM 772 O ALA A 69 -6.378 12.681 12.053 1.00 0.00 O ATOM 773 CB ALA A 69 -8.487 13.403 10.188 1.00 0.00 C ATOM 0 H ALA A 69 -7.471 12.098 8.221 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.608 14.396 9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.602 13.776 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.025 14.055 9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.893 12.393 10.123 1.00 0.00 H new ATOM 779 N ASN A 70 -5.269 11.716 10.318 1.00 0.00 N ATOM 780 CA ASN A 70 -4.423 10.855 11.142 1.00 0.00 C ATOM 781 C ASN A 70 -3.062 11.515 11.423 1.00 0.00 C ATOM 782 O ASN A 70 -2.636 12.424 10.699 1.00 0.00 O ATOM 783 CB ASN A 70 -4.232 9.500 10.440 1.00 0.00 C ATOM 784 CG ASN A 70 -4.114 8.341 11.415 1.00 0.00 C ATOM 785 OD1 ASN A 70 -5.113 7.726 11.792 1.00 0.00 O ATOM 786 ND2 ASN A 70 -2.890 8.038 11.831 1.00 0.00 N ATOM 0 H ASN A 70 -5.095 11.626 9.317 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.916 10.698 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.074 9.321 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.336 9.540 9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.750 7.270 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.090 8.573 11.494 1.00 0.00 H new ATOM 793 N LYS A 71 -2.400 11.029 12.480 1.00 0.00 N ATOM 794 CA LYS A 71 -1.087 11.534 12.913 1.00 0.00 C ATOM 795 C LYS A 71 0.065 10.777 12.203 1.00 0.00 C ATOM 796 O LYS A 71 -0.035 9.556 12.036 1.00 0.00 O ATOM 797 CB LYS A 71 -0.959 11.381 14.436 1.00 0.00 C ATOM 798 CG LYS A 71 -0.187 12.504 15.118 1.00 0.00 C ATOM 799 CD LYS A 71 -0.193 12.341 16.633 1.00 0.00 C ATOM 800 CE LYS A 71 0.649 13.411 17.323 1.00 0.00 C ATOM 801 NZ LYS A 71 2.110 13.122 17.234 1.00 0.00 N ATOM 0 H LYS A 71 -2.759 10.272 13.062 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.013 12.587 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.958 11.328 14.869 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.466 10.433 14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.841 12.514 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.628 13.465 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.218 12.393 17.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.189 11.354 16.894 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.444 14.381 16.870 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.357 13.481 18.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.643 13.874 17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.312 12.209 17.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.396 13.081 16.235 1.00 0.00 H new ATOM 815 N PRO A 72 1.182 11.474 11.772 1.00 0.00 N ATOM 816 CA PRO A 72 2.325 10.812 11.089 1.00 0.00 C ATOM 817 C PRO A 72 3.147 9.903 12.017 1.00 0.00 C ATOM 818 O PRO A 72 3.500 10.295 13.136 1.00 0.00 O ATOM 819 CB PRO A 72 3.196 11.984 10.591 1.00 0.00 C ATOM 820 CG PRO A 72 2.338 13.197 10.715 1.00 0.00 C ATOM 821 CD PRO A 72 1.427 12.936 11.878 1.00 0.00 C ATOM 0 HA PRO A 72 1.971 10.154 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.102 12.081 11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.510 11.829 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.943 14.088 10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.768 13.367 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.893 13.202 12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.502 13.509 11.806 1.00 0.00 H new ATOM 829 N VAL A 73 3.425 8.687 11.531 1.00 0.00 N ATOM 830 CA VAL A 73 4.199 7.689 12.283 1.00 0.00 C ATOM 831 C VAL A 73 5.628 7.458 11.687 1.00 0.00 C ATOM 832 O VAL A 73 6.523 7.124 12.470 1.00 0.00 O ATOM 833 CB VAL A 73 3.423 6.327 12.415 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.175 5.307 13.275 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.031 6.544 13.006 1.00 0.00 C ATOM 0 H VAL A 73 3.122 8.367 10.611 1.00 0.00 H new ATOM 0 HA VAL A 73 4.331 8.103 13.283 1.00 0.00 H new ATOM 0 HB VAL A 73 3.337 5.927 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.597 4.385 13.334 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.146 5.098 12.826 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.318 5.711 14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.516 5.586 13.086 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.122 6.991 13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.460 7.209 12.358 1.00 0.00 H new TER 845 VAL A 73