USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 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 32 THR OG1 : rot 127:sc= 1.26 USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -0.21 F(o=-6.5!,f=1) USER MOD Single : A 19 GLN :FLIP amide:sc= -3.05 F(o=-4.7!,f=-3.1) 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 71:sc= 0.115 USER MOD Single : A 42 ASN : amide:sc= -4.74! C(o=-4.7!,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.785 (180deg=-0.973) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.44! C(o=-5.4!,f=-6.4!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.63 F(o=-3.3!,f=-1.6) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 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 :FLIP amide:sc= -0.225 F(o=-2.9!,f=-0.23) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.560 2.552 -1.105 1.00 0.00 N ATOM 2 CA CYS A 18 16.428 1.757 -1.579 1.00 0.00 C ATOM 3 C CYS A 18 16.705 0.317 -1.233 1.00 0.00 C ATOM 4 O CYS A 18 17.799 -0.201 -1.502 1.00 0.00 O ATOM 5 CB CYS A 18 16.187 1.835 -3.103 1.00 0.00 C ATOM 6 SG CYS A 18 16.287 3.508 -3.828 1.00 0.00 S ATOM 0 HA CYS A 18 15.536 2.159 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 18 16.917 1.197 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.202 1.422 -3.319 1.00 0.00 H new ATOM 11 N GLN A 19 15.723 -0.319 -0.632 1.00 0.00 N ATOM 12 CA GLN A 19 15.823 -1.708 -0.266 1.00 0.00 C ATOM 13 C GLN A 19 14.578 -2.437 -0.759 1.00 0.00 C ATOM 14 O GLN A 19 13.473 -2.281 -0.228 1.00 0.00 O ATOM 15 CB GLN A 19 16.081 -1.835 1.255 1.00 0.00 C ATOM 16 CG GLN A 19 15.340 -0.830 2.149 1.00 0.00 C ATOM 17 CD GLN A 19 14.118 -1.412 2.821 1.00 0.00 C ATOM 18 OE1 GLN A 19 12.960 -1.206 2.217 1.00 0.00 O flip ATOM 19 NE2 GLN A 19 14.213 -2.028 3.882 1.00 0.00 N flip ATOM 0 H GLN A 19 14.834 0.116 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 19 16.676 -2.188 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.805 -2.842 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.151 -1.729 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.024 -0.461 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.041 0.028 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.128 -2.163 4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.377 -2.403 4.330 1.00 0.00 H new ATOM 28 N LEU A 20 14.803 -3.221 -1.811 1.00 0.00 N ATOM 29 CA LEU A 20 13.761 -3.988 -2.479 1.00 0.00 C ATOM 30 C LEU A 20 13.777 -5.467 -2.076 1.00 0.00 C ATOM 31 O LEU A 20 14.591 -6.270 -2.552 1.00 0.00 O ATOM 32 CB LEU A 20 13.900 -3.806 -4.020 1.00 0.00 C ATOM 33 CG LEU A 20 12.682 -4.154 -4.936 1.00 0.00 C ATOM 34 CD1 LEU A 20 12.668 -5.634 -5.298 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.341 -3.749 -4.315 1.00 0.00 C ATOM 0 H LEU A 20 15.727 -3.341 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 20 12.791 -3.606 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.165 -2.765 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.743 -4.413 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 20 12.809 -3.569 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.809 -5.845 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.585 -5.887 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.599 -6.230 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.531 -4.014 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.206 -4.271 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.331 -2.673 -4.141 1.00 0.00 H new ATOM 47 N PHE A 21 12.866 -5.776 -1.162 1.00 0.00 N ATOM 48 CA PHE A 21 12.633 -7.132 -0.663 1.00 0.00 C ATOM 49 C PHE A 21 11.134 -7.435 -0.817 1.00 0.00 C ATOM 50 O PHE A 21 10.299 -6.964 -0.033 1.00 0.00 O ATOM 51 CB PHE A 21 13.154 -7.315 0.794 1.00 0.00 C ATOM 52 CG PHE A 21 12.524 -6.432 1.859 1.00 0.00 C ATOM 53 CD1 PHE A 21 12.919 -5.110 2.015 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.544 -6.936 2.704 1.00 0.00 C ATOM 55 CE1 PHE A 21 12.349 -4.314 2.991 1.00 0.00 C ATOM 56 CE2 PHE A 21 10.972 -6.142 3.678 1.00 0.00 C ATOM 57 CZ PHE A 21 11.374 -4.829 3.821 1.00 0.00 C ATOM 0 H PHE A 21 12.254 -5.080 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 21 13.202 -7.855 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.003 -8.356 1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.229 -7.137 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.679 -4.699 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.225 -7.962 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.667 -3.288 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.211 -6.548 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.926 -4.206 4.581 1.00 0.00 H new ATOM 67 N CYS A 22 10.808 -8.183 -1.873 1.00 0.00 N ATOM 68 CA CYS A 22 9.416 -8.507 -2.205 1.00 0.00 C ATOM 69 C CYS A 22 8.955 -9.915 -1.756 1.00 0.00 C ATOM 70 O CYS A 22 9.266 -10.912 -2.425 1.00 0.00 O ATOM 71 CB CYS A 22 9.204 -8.347 -3.715 1.00 0.00 C ATOM 72 SG CYS A 22 9.573 -6.679 -4.341 1.00 0.00 S ATOM 0 H CYS A 22 11.493 -8.579 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 22 8.800 -7.805 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.833 -9.068 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.170 -8.593 -3.954 1.00 0.00 H new ATOM 77 N PRO A 23 8.229 -10.033 -0.588 1.00 0.00 N ATOM 78 CA PRO A 23 7.657 -11.316 -0.121 1.00 0.00 C ATOM 79 C PRO A 23 6.278 -11.573 -0.765 1.00 0.00 C ATOM 80 O PRO A 23 5.645 -10.627 -1.252 1.00 0.00 O ATOM 81 CB PRO A 23 7.506 -11.124 1.403 1.00 0.00 C ATOM 82 CG PRO A 23 7.995 -9.736 1.708 1.00 0.00 C ATOM 83 CD PRO A 23 7.968 -8.970 0.412 1.00 0.00 C ATOM 0 HA PRO A 23 8.283 -12.169 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.467 -11.245 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.087 -11.868 1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.359 -9.257 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.004 -9.763 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.007 -8.483 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.729 -8.190 0.385 1.00 0.00 H new ATOM 91 N MET A 24 5.810 -12.833 -0.764 1.00 0.00 N ATOM 92 CA MET A 24 4.504 -13.156 -1.362 1.00 0.00 C ATOM 93 C MET A 24 3.408 -13.255 -0.287 1.00 0.00 C ATOM 94 O MET A 24 3.168 -14.323 0.291 1.00 0.00 O ATOM 95 CB MET A 24 4.591 -14.457 -2.181 1.00 0.00 C ATOM 96 CG MET A 24 5.258 -14.295 -3.545 1.00 0.00 C ATOM 97 SD MET A 24 7.019 -13.922 -3.423 1.00 0.00 S ATOM 98 CE MET A 24 7.466 -13.832 -5.156 1.00 0.00 C ATOM 0 H MET A 24 6.305 -13.630 -0.364 1.00 0.00 H new ATOM 0 HA MET A 24 4.232 -12.344 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.143 -15.199 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.585 -14.850 -2.326 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.124 -15.211 -4.121 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.760 -13.497 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.529 -13.607 -5.246 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.255 -14.787 -5.636 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.887 -13.046 -5.641 1.00 0.00 H new ATOM 108 N ILE A 25 2.756 -12.104 -0.033 1.00 0.00 N ATOM 109 CA ILE A 25 1.660 -11.967 0.953 1.00 0.00 C ATOM 110 C ILE A 25 0.730 -10.843 0.460 1.00 0.00 C ATOM 111 O ILE A 25 1.179 -9.952 -0.268 1.00 0.00 O ATOM 112 CB ILE A 25 2.193 -11.618 2.415 1.00 0.00 C ATOM 113 CG1 ILE A 25 3.195 -12.684 2.973 1.00 0.00 C ATOM 114 CG2 ILE A 25 1.051 -11.386 3.427 1.00 0.00 C ATOM 115 CD1 ILE A 25 2.622 -14.072 3.286 1.00 0.00 C ATOM 0 H ILE A 25 2.976 -11.231 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 25 1.136 -12.920 1.030 1.00 0.00 H new ATOM 0 HB ILE A 25 2.736 -10.681 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.001 -12.804 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.641 -12.287 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.473 -11.152 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.431 -10.555 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.442 -12.287 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.416 -14.716 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.838 -13.981 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.204 -14.506 2.378 1.00 0.00 H new ATOM 127 N TYR A 26 -0.561 -10.900 0.817 1.00 0.00 N ATOM 128 CA TYR A 26 -1.490 -9.838 0.435 1.00 0.00 C ATOM 129 C TYR A 26 -1.960 -9.102 1.686 1.00 0.00 C ATOM 130 O TYR A 26 -2.865 -9.535 2.411 1.00 0.00 O ATOM 131 CB TYR A 26 -2.653 -10.407 -0.385 1.00 0.00 C ATOM 132 CG TYR A 26 -3.544 -9.372 -1.061 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.262 -8.913 -2.343 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.668 -8.865 -0.417 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.071 -7.979 -2.962 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.482 -7.930 -1.030 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.179 -7.491 -2.301 1.00 0.00 C ATOM 138 OH TYR A 26 -5.988 -6.562 -2.914 1.00 0.00 O ATOM 0 H TYR A 26 -0.976 -11.657 1.360 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.984 -9.116 -0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.246 -11.067 -1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.271 -11.021 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.396 -9.293 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.909 -9.207 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.837 -7.633 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.350 -7.546 -0.516 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.725 -6.323 -2.314 1.00 0.00 H new ATOM 148 N ALA A 27 -1.278 -7.987 1.912 1.00 0.00 N ATOM 149 CA ALA A 27 -1.529 -7.095 3.052 1.00 0.00 C ATOM 150 C ALA A 27 -1.579 -5.621 2.610 1.00 0.00 C ATOM 151 O ALA A 27 -0.704 -5.199 1.847 1.00 0.00 O ATOM 152 CB ALA A 27 -0.456 -7.283 4.124 1.00 0.00 C ATOM 0 H ALA A 27 -0.524 -7.667 1.305 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.501 -7.358 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.657 -6.615 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.467 -8.316 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.523 -7.053 3.703 1.00 0.00 H new ATOM 158 N PRO A 28 -2.587 -4.792 3.062 1.00 0.00 N ATOM 159 CA PRO A 28 -2.650 -3.354 2.699 1.00 0.00 C ATOM 160 C PRO A 28 -1.602 -2.521 3.459 1.00 0.00 C ATOM 161 O PRO A 28 -1.427 -2.701 4.671 1.00 0.00 O ATOM 162 CB PRO A 28 -4.072 -2.923 3.111 1.00 0.00 C ATOM 163 CG PRO A 28 -4.800 -4.186 3.447 1.00 0.00 C ATOM 164 CD PRO A 28 -3.754 -5.163 3.901 1.00 0.00 C ATOM 0 HA PRO A 28 -2.441 -3.198 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.044 -2.249 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.569 -2.389 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.538 -4.014 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.339 -4.567 2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.538 -5.062 4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.062 -6.195 3.735 1.00 0.00 H new ATOM 172 N ILE A 29 -0.911 -1.624 2.739 1.00 0.00 N ATOM 173 CA ILE A 29 0.126 -0.770 3.349 1.00 0.00 C ATOM 174 C ILE A 29 -0.201 0.722 3.143 1.00 0.00 C ATOM 175 O ILE A 29 -0.422 1.161 2.009 1.00 0.00 O ATOM 176 CB ILE A 29 1.554 -1.068 2.746 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.731 -2.556 2.289 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.681 -0.659 3.718 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.613 -3.633 3.374 1.00 0.00 C ATOM 0 H ILE A 29 -1.048 -1.470 1.740 1.00 0.00 H new ATOM 0 HA ILE A 29 0.138 -1.000 4.414 1.00 0.00 H new ATOM 0 HB ILE A 29 1.630 -0.451 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.987 -2.766 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.710 -2.653 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.648 -0.880 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.613 0.409 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.579 -1.217 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.755 -4.617 2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.375 -3.467 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.625 -3.582 3.832 1.00 0.00 H new ATOM 191 N CYS A 30 -0.234 1.486 4.261 1.00 0.00 N ATOM 192 CA CYS A 30 -0.520 2.933 4.221 1.00 0.00 C ATOM 193 C CYS A 30 0.761 3.749 4.433 1.00 0.00 C ATOM 194 O CYS A 30 1.574 3.421 5.305 1.00 0.00 O ATOM 195 CB CYS A 30 -1.559 3.295 5.284 1.00 0.00 C ATOM 196 SG CYS A 30 -2.885 4.386 4.682 1.00 0.00 S ATOM 0 H CYS A 30 -0.066 1.121 5.199 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.921 3.176 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.004 2.378 5.669 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.055 3.780 6.120 1.00 0.00 H new ATOM 201 N ALA A 31 0.925 4.812 3.619 1.00 0.00 N ATOM 202 CA ALA A 31 2.097 5.695 3.667 1.00 0.00 C ATOM 203 C ALA A 31 1.718 7.109 3.235 1.00 0.00 C ATOM 204 O ALA A 31 1.002 7.282 2.240 1.00 0.00 O ATOM 205 CB ALA A 31 3.208 5.159 2.769 1.00 0.00 C ATOM 0 H ALA A 31 0.243 5.079 2.909 1.00 0.00 H new ATOM 0 HA ALA A 31 2.459 5.725 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.069 5.826 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.501 4.165 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.850 5.103 1.741 1.00 0.00 H new ATOM 211 N THR A 32 2.224 8.113 3.964 1.00 0.00 N ATOM 212 CA THR A 32 1.920 9.520 3.666 1.00 0.00 C ATOM 213 C THR A 32 3.189 10.341 3.429 1.00 0.00 C ATOM 214 O THR A 32 4.193 10.174 4.132 1.00 0.00 O ATOM 215 CB THR A 32 1.059 10.211 4.780 1.00 0.00 C ATOM 216 OG1 THR A 32 0.679 11.526 4.352 1.00 0.00 O ATOM 217 CG2 THR A 32 1.783 10.333 6.129 1.00 0.00 C ATOM 0 H THR A 32 2.844 7.978 4.762 1.00 0.00 H new ATOM 0 HA THR A 32 1.331 9.496 2.749 1.00 0.00 H new ATOM 0 HB THR A 32 0.189 9.571 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.292 11.628 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.128 10.820 6.851 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.047 9.339 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.689 10.926 6.003 1.00 0.00 H new ATOM 225 N ASP A 33 3.118 11.214 2.428 1.00 0.00 N ATOM 226 CA ASP A 33 4.226 12.128 2.108 1.00 0.00 C ATOM 227 C ASP A 33 3.812 13.593 2.407 1.00 0.00 C ATOM 228 O ASP A 33 4.254 14.532 1.728 1.00 0.00 O ATOM 229 CB ASP A 33 4.639 11.950 0.636 1.00 0.00 C ATOM 230 CG ASP A 33 6.069 12.400 0.367 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.988 11.563 0.496 1.00 0.00 O ATOM 232 OD2 ASP A 33 6.266 13.586 0.028 1.00 0.00 O ATOM 0 H ASP A 33 2.305 11.313 1.819 1.00 0.00 H new ATOM 0 HA ASP A 33 5.087 11.890 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.534 10.901 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.959 12.517 0.001 1.00 0.00 H new ATOM 237 N GLY A 34 2.978 13.770 3.454 1.00 0.00 N ATOM 238 CA GLY A 34 2.466 15.102 3.828 1.00 0.00 C ATOM 239 C GLY A 34 1.106 15.348 3.187 1.00 0.00 C ATOM 240 O GLY A 34 0.169 15.840 3.823 1.00 0.00 O ATOM 0 H GLY A 34 2.648 13.011 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.382 15.175 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.169 15.871 3.510 1.00 0.00 H new ATOM 244 N VAL A 35 1.050 14.985 1.901 1.00 0.00 N ATOM 245 CA VAL A 35 -0.143 15.039 1.043 1.00 0.00 C ATOM 246 C VAL A 35 -1.012 13.804 1.351 1.00 0.00 C ATOM 247 O VAL A 35 -0.556 12.900 2.064 1.00 0.00 O ATOM 248 CB VAL A 35 0.240 15.144 -0.495 1.00 0.00 C ATOM 249 CG1 VAL A 35 1.655 14.645 -0.775 1.00 0.00 C ATOM 250 CG2 VAL A 35 -0.738 14.414 -1.418 1.00 0.00 C ATOM 0 H VAL A 35 1.869 14.630 1.407 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.714 15.942 1.259 1.00 0.00 H new ATOM 0 HB VAL A 35 0.183 16.210 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.869 14.737 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.370 15.241 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.738 13.600 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.415 14.527 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.761 13.355 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.735 14.838 -1.300 1.00 0.00 H new ATOM 260 N SER A 36 -2.262 13.777 0.837 1.00 0.00 N ATOM 261 CA SER A 36 -3.179 12.647 1.077 1.00 0.00 C ATOM 262 C SER A 36 -2.479 11.339 0.693 1.00 0.00 C ATOM 263 O SER A 36 -1.889 11.218 -0.387 1.00 0.00 O ATOM 264 CB SER A 36 -4.470 12.821 0.270 1.00 0.00 C ATOM 265 OG SER A 36 -5.151 14.005 0.645 1.00 0.00 O ATOM 0 H SER A 36 -2.654 14.520 0.258 1.00 0.00 H new ATOM 0 HA SER A 36 -3.444 12.618 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.236 12.854 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.119 11.959 0.427 1.00 0.00 H new ATOM 0 HG SER A 36 -5.970 14.093 0.114 1.00 0.00 H new ATOM 271 N GLN A 37 -2.563 10.378 1.614 1.00 0.00 N ATOM 272 CA GLN A 37 -1.860 9.092 1.529 1.00 0.00 C ATOM 273 C GLN A 37 -2.516 8.082 0.595 1.00 0.00 C ATOM 274 O GLN A 37 -3.687 8.210 0.223 1.00 0.00 O ATOM 275 CB GLN A 37 -1.690 8.479 2.936 1.00 0.00 C ATOM 276 CG GLN A 37 -2.801 8.796 3.933 1.00 0.00 C ATOM 277 CD GLN A 37 -2.557 10.060 4.760 1.00 0.00 C ATOM 278 OE1 GLN A 37 -1.964 11.082 4.144 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.914 10.117 5.935 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.131 10.471 2.456 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.886 9.316 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.616 7.396 2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.744 8.826 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.740 8.905 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.920 7.950 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.365 9.312 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.759 10.969 6.474 1.00 0.00 H new ATOM 288 N ARG A 38 -1.709 7.080 0.241 1.00 0.00 N ATOM 289 CA ARG A 38 -2.112 6.013 -0.664 1.00 0.00 C ATOM 290 C ARG A 38 -1.919 4.642 -0.008 1.00 0.00 C ATOM 291 O ARG A 38 -1.076 4.477 0.881 1.00 0.00 O ATOM 292 CB ARG A 38 -1.300 6.108 -1.964 1.00 0.00 C ATOM 293 CG ARG A 38 -2.020 5.549 -3.177 1.00 0.00 C ATOM 294 CD ARG A 38 -1.117 5.510 -4.399 1.00 0.00 C ATOM 295 NE ARG A 38 -1.813 4.990 -5.582 1.00 0.00 N ATOM 296 CZ ARG A 38 -1.303 4.960 -6.824 1.00 0.00 C ATOM 297 NH1 ARG A 38 -0.079 5.420 -7.085 1.00 0.00 N ATOM 298 NH2 ARG A 38 -2.030 4.463 -7.816 1.00 0.00 N ATOM 0 H ARG A 38 -0.751 6.990 0.579 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.171 6.127 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.051 7.153 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.359 5.574 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.377 4.543 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.897 6.159 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.747 6.514 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.248 4.888 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.756 4.624 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.492 5.806 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.286 5.386 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.968 4.108 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.651 4.436 -8.762 1.00 0.00 H new ATOM 312 N THR A 39 -2.712 3.672 -0.472 1.00 0.00 N ATOM 313 CA THR A 39 -2.657 2.303 0.036 1.00 0.00 C ATOM 314 C THR A 39 -2.146 1.359 -1.056 1.00 0.00 C ATOM 315 O THR A 39 -2.744 1.259 -2.134 1.00 0.00 O ATOM 316 CB THR A 39 -4.041 1.811 0.548 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.886 2.926 0.872 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.891 0.928 1.785 1.00 0.00 C ATOM 0 H THR A 39 -3.406 3.815 -1.206 1.00 0.00 H new ATOM 0 HA THR A 39 -1.970 2.298 0.882 1.00 0.00 H new ATOM 0 HB THR A 39 -4.494 1.227 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.753 2.598 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.875 0.600 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.282 0.058 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.408 1.495 2.581 1.00 0.00 H new ATOM 326 N PHE A 40 -1.028 0.683 -0.761 1.00 0.00 N ATOM 327 CA PHE A 40 -0.401 -0.266 -1.690 1.00 0.00 C ATOM 328 C PHE A 40 -0.828 -1.704 -1.358 1.00 0.00 C ATOM 329 O PHE A 40 -1.373 -1.961 -0.276 1.00 0.00 O ATOM 330 CB PHE A 40 1.139 -0.145 -1.628 1.00 0.00 C ATOM 331 CG PHE A 40 1.718 1.199 -2.051 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.566 2.333 -1.256 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.440 1.318 -3.234 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.116 3.544 -1.631 1.00 0.00 C ATOM 335 CE2 PHE A 40 2.993 2.533 -3.610 1.00 0.00 C ATOM 336 CZ PHE A 40 2.829 3.644 -2.807 1.00 0.00 C ATOM 0 H PHE A 40 -0.534 0.778 0.126 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.732 -0.026 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.460 -0.352 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.571 -0.920 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.010 2.265 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.572 0.453 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.987 4.413 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.552 2.610 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.259 4.591 -3.100 1.00 0.00 H new ATOM 346 N SER A 41 -0.570 -2.637 -2.292 1.00 0.00 N ATOM 347 CA SER A 41 -0.920 -4.055 -2.115 1.00 0.00 C ATOM 348 C SER A 41 0.104 -4.802 -1.240 1.00 0.00 C ATOM 349 O SER A 41 -0.216 -5.856 -0.681 1.00 0.00 O ATOM 350 CB SER A 41 -1.033 -4.737 -3.486 1.00 0.00 C ATOM 351 OG SER A 41 -1.685 -5.993 -3.387 1.00 0.00 O ATOM 0 H SER A 41 -0.117 -2.431 -3.182 1.00 0.00 H new ATOM 0 HA SER A 41 -1.880 -4.095 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.584 -4.092 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.038 -4.874 -3.909 1.00 0.00 H new ATOM 0 HG SER A 41 -2.636 -5.854 -3.194 1.00 0.00 H new ATOM 357 N ASN A 42 1.331 -4.240 -1.130 1.00 0.00 N ATOM 358 CA ASN A 42 2.432 -4.833 -0.330 1.00 0.00 C ATOM 359 C ASN A 42 3.662 -3.888 -0.337 1.00 0.00 C ATOM 360 O ASN A 42 3.772 -3.062 -1.251 1.00 0.00 O ATOM 361 CB ASN A 42 2.839 -6.226 -0.900 1.00 0.00 C ATOM 362 CG ASN A 42 3.200 -7.245 0.168 1.00 0.00 C ATOM 363 OD1 ASN A 42 4.374 -7.536 0.393 1.00 0.00 O ATOM 364 ND2 ASN A 42 2.190 -7.794 0.830 1.00 0.00 N ATOM 0 H ASN A 42 1.586 -3.366 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 42 2.080 -4.963 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.017 -6.617 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.689 -6.099 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.373 -8.486 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.231 -7.524 0.612 1.00 0.00 H new ATOM 371 N PRO A 43 4.619 -3.971 0.676 1.00 0.00 N ATOM 372 CA PRO A 43 5.842 -3.110 0.726 1.00 0.00 C ATOM 373 C PRO A 43 6.691 -3.112 -0.564 1.00 0.00 C ATOM 374 O PRO A 43 7.478 -2.188 -0.786 1.00 0.00 O ATOM 375 CB PRO A 43 6.664 -3.702 1.889 1.00 0.00 C ATOM 376 CG PRO A 43 6.032 -5.018 2.198 1.00 0.00 C ATOM 377 CD PRO A 43 4.582 -4.847 1.871 1.00 0.00 C ATOM 0 HA PRO A 43 5.553 -2.066 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.710 -3.826 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.644 -3.044 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.477 -5.817 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.170 -5.284 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.099 -5.801 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.033 -4.388 2.693 1.00 0.00 H new ATOM 385 N CYS A 44 6.515 -4.151 -1.408 1.00 0.00 N ATOM 386 CA CYS A 44 7.242 -4.287 -2.685 1.00 0.00 C ATOM 387 C CYS A 44 6.900 -3.134 -3.647 1.00 0.00 C ATOM 388 O CYS A 44 7.800 -2.482 -4.188 1.00 0.00 O ATOM 389 CB CYS A 44 6.906 -5.642 -3.332 1.00 0.00 C ATOM 390 SG CYS A 44 7.763 -5.969 -4.911 1.00 0.00 S ATOM 0 H CYS A 44 5.867 -4.916 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 44 8.311 -4.241 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.155 -6.436 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.830 -5.691 -3.501 1.00 0.00 H new ATOM 395 N ASP A 45 5.587 -2.902 -3.844 1.00 0.00 N ATOM 396 CA ASP A 45 5.076 -1.833 -4.717 1.00 0.00 C ATOM 397 C ASP A 45 5.290 -0.430 -4.120 1.00 0.00 C ATOM 398 O ASP A 45 5.357 0.553 -4.866 1.00 0.00 O ATOM 399 CB ASP A 45 3.585 -2.048 -5.009 1.00 0.00 C ATOM 400 CG ASP A 45 3.329 -3.221 -5.939 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.159 -4.351 -5.438 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.297 -3.006 -7.170 1.00 0.00 O ATOM 0 H ASP A 45 4.852 -3.453 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 45 5.646 -1.886 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.056 -2.213 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.172 -1.142 -5.453 1.00 0.00 H new ATOM 407 N LEU A 46 5.398 -0.348 -2.773 1.00 0.00 N ATOM 408 CA LEU A 46 5.576 0.918 -2.073 1.00 0.00 C ATOM 409 C LEU A 46 7.035 1.386 -2.052 1.00 0.00 C ATOM 410 O LEU A 46 7.339 2.472 -2.540 1.00 0.00 O ATOM 411 CB LEU A 46 5.081 0.721 -0.626 1.00 0.00 C ATOM 412 CG LEU A 46 5.175 1.954 0.274 1.00 0.00 C ATOM 413 CD1 LEU A 46 3.980 2.064 1.201 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.463 1.956 1.094 1.00 0.00 C ATOM 0 H LEU A 46 5.363 -1.160 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 46 5.010 1.687 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.042 0.393 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.656 -0.085 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 46 5.182 2.820 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.084 2.952 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.067 2.140 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.929 1.179 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.494 2.847 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.494 1.067 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.322 1.955 0.423 1.00 0.00 H new ATOM 426 N LYS A 47 7.918 0.519 -1.539 1.00 0.00 N ATOM 427 CA LYS A 47 9.354 0.803 -1.405 1.00 0.00 C ATOM 428 C LYS A 47 10.010 1.130 -2.744 1.00 0.00 C ATOM 429 O LYS A 47 10.934 1.946 -2.821 1.00 0.00 O ATOM 430 CB LYS A 47 10.046 -0.388 -0.743 1.00 0.00 C ATOM 431 CG LYS A 47 10.212 -0.226 0.756 1.00 0.00 C ATOM 432 CD LYS A 47 9.235 -1.093 1.538 1.00 0.00 C ATOM 433 CE LYS A 47 9.315 -0.813 3.029 1.00 0.00 C ATOM 434 NZ LYS A 47 8.351 -1.641 3.804 1.00 0.00 N ATOM 0 H LYS A 47 7.654 -0.407 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 47 9.464 1.689 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.470 -1.291 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.027 -0.529 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.232 -0.486 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.064 0.820 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.220 -0.908 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.451 -2.145 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.327 -1.010 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.114 0.243 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.519 -1.508 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.380 -1.351 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.480 -2.644 3.560 1.00 0.00 H new ATOM 448 N VAL A 48 9.503 0.467 -3.778 1.00 0.00 N ATOM 449 CA VAL A 48 9.946 0.655 -5.162 1.00 0.00 C ATOM 450 C VAL A 48 9.515 2.040 -5.684 1.00 0.00 C ATOM 451 O VAL A 48 10.267 2.706 -6.393 1.00 0.00 O ATOM 452 CB VAL A 48 9.387 -0.507 -6.047 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.986 -0.250 -6.609 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.366 -0.874 -7.159 1.00 0.00 C ATOM 0 H VAL A 48 8.762 -0.227 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 48 11.035 0.624 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 48 9.280 -1.358 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.673 -1.103 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.284 -0.109 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.002 0.645 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.950 -1.685 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.537 -0.005 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.311 -1.195 -6.721 1.00 0.00 H new ATOM 464 N TYR A 49 8.315 2.464 -5.249 1.00 0.00 N ATOM 465 CA TYR A 49 7.717 3.751 -5.649 1.00 0.00 C ATOM 466 C TYR A 49 8.492 4.942 -5.077 1.00 0.00 C ATOM 467 O TYR A 49 8.529 6.008 -5.675 1.00 0.00 O ATOM 468 CB TYR A 49 6.257 3.810 -5.180 1.00 0.00 C ATOM 469 CG TYR A 49 5.288 4.338 -6.222 1.00 0.00 C ATOM 470 CD1 TYR A 49 4.679 3.482 -7.135 1.00 0.00 C ATOM 471 CD2 TYR A 49 4.978 5.692 -6.288 1.00 0.00 C ATOM 472 CE1 TYR A 49 3.792 3.960 -8.080 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.091 6.176 -7.231 1.00 0.00 C ATOM 474 CZ TYR A 49 3.501 5.308 -8.125 1.00 0.00 C ATOM 475 OH TYR A 49 2.618 5.787 -9.065 1.00 0.00 O ATOM 0 H TYR A 49 7.732 1.924 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 49 7.763 3.816 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.943 2.810 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.198 4.440 -4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.904 2.426 -7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.438 6.377 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.328 3.281 -8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.861 7.231 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 49 2.523 6.757 -8.960 1.00 0.00 H new ATOM 485 N ASN A 50 9.103 4.729 -3.911 1.00 0.00 N ATOM 486 CA ASN A 50 9.901 5.750 -3.209 1.00 0.00 C ATOM 487 C ASN A 50 11.259 5.987 -3.888 1.00 0.00 C ATOM 488 O ASN A 50 11.793 7.101 -3.857 1.00 0.00 O ATOM 489 CB ASN A 50 10.151 5.340 -1.738 1.00 0.00 C ATOM 490 CG ASN A 50 9.055 4.490 -1.092 1.00 0.00 C ATOM 491 OD1 ASN A 50 9.339 3.660 -0.230 1.00 0.00 O ATOM 492 ND2 ASN A 50 7.808 4.694 -1.491 1.00 0.00 N ATOM 0 H ASN A 50 9.061 3.837 -3.418 1.00 0.00 H new ATOM 0 HA ASN A 50 9.322 6.673 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.090 4.789 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.281 6.245 -1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.046 4.154 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.610 5.391 -2.209 1.00 0.00 H new ATOM 499 N CYS A 51 11.793 4.917 -4.493 1.00 0.00 N ATOM 500 CA CYS A 51 13.103 4.924 -5.156 1.00 0.00 C ATOM 501 C CYS A 51 13.100 5.597 -6.543 1.00 0.00 C ATOM 502 O CYS A 51 13.949 6.455 -6.803 1.00 0.00 O ATOM 503 CB CYS A 51 13.599 3.484 -5.274 1.00 0.00 C ATOM 504 SG CYS A 51 15.379 3.317 -5.639 1.00 0.00 S ATOM 0 H CYS A 51 11.322 4.013 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 51 13.772 5.524 -4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.383 2.962 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.033 2.982 -6.059 1.00 0.00 H new ATOM 509 N TRP A 52 12.154 5.210 -7.422 1.00 0.00 N ATOM 510 CA TRP A 52 12.099 5.775 -8.788 1.00 0.00 C ATOM 511 C TRP A 52 11.235 7.045 -8.938 1.00 0.00 C ATOM 512 O TRP A 52 11.259 7.692 -9.993 1.00 0.00 O ATOM 513 CB TRP A 52 11.750 4.688 -9.819 1.00 0.00 C ATOM 514 CG TRP A 52 10.395 4.034 -9.763 1.00 0.00 C ATOM 515 CD1 TRP A 52 10.084 2.834 -9.195 1.00 0.00 C ATOM 516 CD2 TRP A 52 9.198 4.510 -10.373 1.00 0.00 C ATOM 517 NE1 TRP A 52 8.755 2.547 -9.394 1.00 0.00 N ATOM 518 CE2 TRP A 52 8.188 3.566 -10.116 1.00 0.00 C ATOM 519 CE3 TRP A 52 8.881 5.660 -11.098 1.00 0.00 C ATOM 520 CZ2 TRP A 52 6.881 3.732 -10.568 1.00 0.00 C ATOM 521 CZ3 TRP A 52 7.585 5.828 -11.544 1.00 0.00 C ATOM 522 CH2 TRP A 52 6.599 4.867 -11.279 1.00 0.00 C ATOM 0 H TRP A 52 11.430 4.522 -7.218 1.00 0.00 H new ATOM 0 HA TRP A 52 13.107 6.132 -8.998 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.862 5.127 -10.810 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.499 3.901 -9.733 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.781 2.201 -8.666 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.270 1.714 -9.060 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.635 6.404 -11.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.119 2.994 -10.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.327 6.714 -12.106 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.595 5.026 -11.644 1.00 0.00 H new ATOM 533 N ASN A 53 10.488 7.380 -7.889 1.00 0.00 N ATOM 534 CA ASN A 53 9.664 8.596 -7.852 1.00 0.00 C ATOM 535 C ASN A 53 10.325 9.659 -6.939 1.00 0.00 C ATOM 536 O ASN A 53 10.050 9.693 -5.728 1.00 0.00 O ATOM 537 CB ASN A 53 8.239 8.295 -7.355 1.00 0.00 C ATOM 538 CG ASN A 53 7.461 7.359 -8.261 1.00 0.00 C ATOM 539 OD1 ASN A 53 7.949 6.134 -8.393 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 6.438 7.735 -8.836 1.00 0.00 N flip ATOM 0 H ASN A 53 10.433 6.820 -7.038 1.00 0.00 H new ATOM 0 HA ASN A 53 9.594 8.982 -8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.296 7.857 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.691 9.233 -7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.100 8.688 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.929 7.093 -9.444 1.00 0.00 H new ATOM 547 N PRO A 54 11.238 10.529 -7.485 1.00 0.00 N ATOM 548 CA PRO A 54 11.918 11.591 -6.691 1.00 0.00 C ATOM 549 C PRO A 54 10.978 12.742 -6.270 1.00 0.00 C ATOM 550 O PRO A 54 11.099 13.280 -5.165 1.00 0.00 O ATOM 551 CB PRO A 54 12.997 12.105 -7.662 1.00 0.00 C ATOM 552 CG PRO A 54 12.422 11.854 -9.014 1.00 0.00 C ATOM 553 CD PRO A 54 11.713 10.537 -8.896 1.00 0.00 C ATOM 0 HA PRO A 54 12.304 11.203 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.201 13.164 -7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.940 11.576 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.734 12.648 -9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.202 11.815 -9.774 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.884 10.462 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.381 9.701 -9.100 1.00 0.00 H new ATOM 561 N ASP A 55 10.049 13.096 -7.177 1.00 0.00 N ATOM 562 CA ASP A 55 9.078 14.182 -6.955 1.00 0.00 C ATOM 563 C ASP A 55 7.846 13.746 -6.139 1.00 0.00 C ATOM 564 O ASP A 55 7.278 14.568 -5.412 1.00 0.00 O ATOM 565 CB ASP A 55 8.617 14.760 -8.298 1.00 0.00 C ATOM 566 CG ASP A 55 9.667 15.637 -8.954 1.00 0.00 C ATOM 567 OD1 ASP A 55 10.501 15.098 -9.714 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.658 16.862 -8.711 1.00 0.00 O ATOM 0 H ASP A 55 9.951 12.638 -8.083 1.00 0.00 H new ATOM 0 HA ASP A 55 9.598 14.940 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.362 13.942 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.708 15.342 -8.145 1.00 0.00 H new ATOM 573 N ASN A 56 7.436 12.464 -6.257 1.00 0.00 N ATOM 574 CA ASN A 56 6.257 11.962 -5.529 1.00 0.00 C ATOM 575 C ASN A 56 6.546 10.641 -4.754 1.00 0.00 C ATOM 576 O ASN A 56 5.982 9.589 -5.089 1.00 0.00 O ATOM 577 CB ASN A 56 5.076 11.784 -6.506 1.00 0.00 C ATOM 578 CG ASN A 56 3.736 12.105 -5.873 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.101 11.245 -5.265 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.300 13.346 -6.020 1.00 0.00 N ATOM 0 H ASN A 56 7.899 11.768 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 56 5.994 12.705 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.227 12.428 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.064 10.757 -6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.403 13.622 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.861 14.026 -6.533 1.00 0.00 H new ATOM 587 N PRO A 57 7.446 10.660 -3.706 1.00 0.00 N ATOM 588 CA PRO A 57 7.757 9.464 -2.881 1.00 0.00 C ATOM 589 C PRO A 57 6.715 9.229 -1.762 1.00 0.00 C ATOM 590 O PRO A 57 5.850 10.081 -1.541 1.00 0.00 O ATOM 591 CB PRO A 57 9.139 9.797 -2.270 1.00 0.00 C ATOM 592 CG PRO A 57 9.536 11.131 -2.832 1.00 0.00 C ATOM 593 CD PRO A 57 8.262 11.806 -3.252 1.00 0.00 C ATOM 0 HA PRO A 57 7.746 8.549 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.085 9.834 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.872 9.033 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.064 11.726 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.210 11.011 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.792 12.341 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.427 12.531 -4.049 1.00 0.00 H new ATOM 601 N TYR A 58 6.791 8.068 -1.083 1.00 0.00 N ATOM 602 CA TYR A 58 5.874 7.747 0.020 1.00 0.00 C ATOM 603 C TYR A 58 6.653 7.305 1.258 1.00 0.00 C ATOM 604 O TYR A 58 7.674 6.618 1.143 1.00 0.00 O ATOM 605 CB TYR A 58 4.870 6.657 -0.386 1.00 0.00 C ATOM 606 CG TYR A 58 3.785 7.136 -1.337 1.00 0.00 C ATOM 607 CD1 TYR A 58 2.596 7.671 -0.849 1.00 0.00 C ATOM 608 CD2 TYR A 58 3.947 7.051 -2.715 1.00 0.00 C ATOM 609 CE1 TYR A 58 1.605 8.107 -1.707 1.00 0.00 C ATOM 610 CE2 TYR A 58 2.960 7.487 -3.579 1.00 0.00 C ATOM 611 CZ TYR A 58 1.791 8.014 -3.070 1.00 0.00 C ATOM 612 OH TYR A 58 0.806 8.449 -3.926 1.00 0.00 O ATOM 0 H TYR A 58 7.478 7.340 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 58 5.316 8.653 0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.412 5.835 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.400 6.258 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.446 7.746 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.860 6.637 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.688 8.519 -1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.103 7.415 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 58 1.095 8.314 -4.853 1.00 0.00 H new ATOM 622 N LYS A 59 6.156 7.705 2.437 1.00 0.00 N ATOM 623 CA LYS A 59 6.798 7.376 3.709 1.00 0.00 C ATOM 624 C LYS A 59 5.901 6.446 4.538 1.00 0.00 C ATOM 625 O LYS A 59 4.750 6.785 4.839 1.00 0.00 O ATOM 626 CB LYS A 59 7.129 8.661 4.479 1.00 0.00 C ATOM 627 CG LYS A 59 8.246 9.492 3.855 1.00 0.00 C ATOM 628 CD LYS A 59 8.489 10.774 4.636 1.00 0.00 C ATOM 629 CE LYS A 59 9.583 11.615 3.996 1.00 0.00 C ATOM 630 NZ LYS A 59 9.818 12.882 4.744 1.00 0.00 N ATOM 0 H LYS A 59 5.306 8.260 2.532 1.00 0.00 H new ATOM 0 HA LYS A 59 7.731 6.848 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.230 9.273 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.412 8.398 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.164 8.905 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.988 9.736 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.566 11.352 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.768 10.530 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.508 11.039 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.308 11.846 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.570 13.427 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.943 13.443 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.105 12.661 5.719 1.00 0.00 H new ATOM 644 N GLU A 60 6.459 5.280 4.921 1.00 0.00 N ATOM 645 CA GLU A 60 5.756 4.234 5.672 1.00 0.00 C ATOM 646 C GLU A 60 5.282 4.690 7.073 1.00 0.00 C ATOM 647 O GLU A 60 6.088 5.036 7.943 1.00 0.00 O ATOM 648 CB GLU A 60 6.693 3.002 5.754 1.00 0.00 C ATOM 649 CG GLU A 60 6.119 1.792 6.481 1.00 0.00 C ATOM 650 CD GLU A 60 5.096 1.020 5.666 1.00 0.00 C ATOM 651 OE1 GLU A 60 5.502 0.119 4.902 1.00 0.00 O ATOM 652 OE2 GLU A 60 3.891 1.318 5.795 1.00 0.00 O ATOM 0 H GLU A 60 7.428 5.040 4.711 1.00 0.00 H new ATOM 0 HA GLU A 60 4.836 3.982 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.961 2.702 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.615 3.301 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.935 1.122 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.655 2.123 7.410 1.00 0.00 H new ATOM 659 N VAL A 61 3.951 4.679 7.245 1.00 0.00 N ATOM 660 CA VAL A 61 3.292 5.055 8.507 1.00 0.00 C ATOM 661 C VAL A 61 2.797 3.810 9.269 1.00 0.00 C ATOM 662 O VAL A 61 3.028 3.691 10.477 1.00 0.00 O ATOM 663 CB VAL A 61 2.079 6.017 8.243 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.531 6.628 9.534 1.00 0.00 C ATOM 665 CG2 VAL A 61 2.456 7.132 7.275 1.00 0.00 C ATOM 0 H VAL A 61 3.298 4.408 6.510 1.00 0.00 H new ATOM 0 HA VAL A 61 4.033 5.572 9.116 1.00 0.00 H new ATOM 0 HB VAL A 61 1.296 5.403 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.694 7.285 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.192 5.833 10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.316 7.202 10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.595 7.780 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.276 7.716 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.767 6.699 6.325 1.00 0.00 H new ATOM 675 N LYS A 62 2.122 2.890 8.548 1.00 0.00 N ATOM 676 CA LYS A 62 1.550 1.652 9.128 1.00 0.00 C ATOM 677 C LYS A 62 0.950 0.778 8.023 1.00 0.00 C ATOM 678 O LYS A 62 0.865 1.209 6.867 1.00 0.00 O ATOM 679 CB LYS A 62 0.422 1.995 10.121 1.00 0.00 C ATOM 680 CG LYS A 62 0.364 1.085 11.343 1.00 0.00 C ATOM 681 CD LYS A 62 -0.759 1.492 12.289 1.00 0.00 C ATOM 682 CE LYS A 62 -0.823 0.588 13.517 1.00 0.00 C ATOM 683 NZ LYS A 62 0.241 0.911 14.512 1.00 0.00 N ATOM 0 H LYS A 62 1.957 2.983 7.546 1.00 0.00 H new ATOM 0 HA LYS A 62 2.354 1.121 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.549 3.025 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.534 1.944 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.216 0.054 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.317 1.121 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.611 2.525 12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.711 1.454 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.801 0.687 13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.723 -0.452 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.158 0.272 15.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.176 0.791 14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.132 1.895 14.830 1.00 0.00 H new ATOM 697 N VAL A 63 0.534 -0.454 8.381 1.00 0.00 N ATOM 698 CA VAL A 63 -0.114 -1.335 7.408 1.00 0.00 C ATOM 699 C VAL A 63 -1.623 -1.405 7.707 1.00 0.00 C ATOM 700 O VAL A 63 -2.079 -2.103 8.623 1.00 0.00 O ATOM 701 CB VAL A 63 0.529 -2.767 7.363 1.00 0.00 C ATOM 702 CG1 VAL A 63 1.927 -2.712 6.763 1.00 0.00 C ATOM 703 CG2 VAL A 63 0.588 -3.422 8.744 1.00 0.00 C ATOM 0 H VAL A 63 0.635 -0.848 9.316 1.00 0.00 H new ATOM 0 HA VAL A 63 0.039 -0.910 6.416 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.115 -3.378 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.353 -3.715 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.872 -2.319 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.558 -2.062 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.041 -4.410 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.187 -2.805 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.421 -3.519 9.144 1.00 0.00 H new ATOM 713 N GLY A 64 -2.365 -0.631 6.925 1.00 0.00 N ATOM 714 CA GLY A 64 -3.814 -0.549 7.053 1.00 0.00 C ATOM 715 C GLY A 64 -4.391 0.507 6.132 1.00 0.00 C ATOM 716 O GLY A 64 -3.746 0.912 5.155 1.00 0.00 O ATOM 0 H GLY A 64 -1.980 -0.043 6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.257 -1.518 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.077 -0.317 8.085 1.00 0.00 H new ATOM 720 N GLU A 65 -5.619 0.940 6.443 1.00 0.00 N ATOM 721 CA GLU A 65 -6.274 2.018 5.707 1.00 0.00 C ATOM 722 C GLU A 65 -6.289 3.263 6.595 1.00 0.00 C ATOM 723 O GLU A 65 -7.051 3.346 7.570 1.00 0.00 O ATOM 724 CB GLU A 65 -7.695 1.627 5.273 1.00 0.00 C ATOM 725 CG GLU A 65 -7.759 0.923 3.922 1.00 0.00 C ATOM 726 CD GLU A 65 -7.503 -0.572 4.015 1.00 0.00 C ATOM 727 OE1 GLU A 65 -6.321 -0.967 4.101 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.484 -1.344 4.006 1.00 0.00 O ATOM 0 H GLU A 65 -6.178 0.555 7.204 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.719 2.222 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.129 0.976 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.312 2.525 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.740 1.090 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.025 1.370 3.251 1.00 0.00 H new ATOM 735 N CYS A 66 -5.417 4.213 6.255 1.00 0.00 N ATOM 736 CA CYS A 66 -5.259 5.444 7.023 1.00 0.00 C ATOM 737 C CYS A 66 -5.868 6.663 6.327 1.00 0.00 C ATOM 738 O CYS A 66 -5.914 6.733 5.095 1.00 0.00 O ATOM 739 CB CYS A 66 -3.769 5.673 7.315 1.00 0.00 C ATOM 740 SG CYS A 66 -2.731 6.036 5.854 1.00 0.00 S ATOM 0 H CYS A 66 -4.804 4.149 5.443 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.807 5.323 7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.677 6.500 8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.373 4.787 7.810 1.00 0.00 H new ATOM 745 N ASP A 67 -6.330 7.614 7.154 1.00 0.00 N ATOM 746 CA ASP A 67 -6.934 8.861 6.681 1.00 0.00 C ATOM 747 C ASP A 67 -5.985 10.047 6.948 1.00 0.00 C ATOM 748 O ASP A 67 -4.961 9.885 7.624 1.00 0.00 O ATOM 749 CB ASP A 67 -8.291 9.069 7.380 1.00 0.00 C ATOM 750 CG ASP A 67 -9.288 9.827 6.518 1.00 0.00 C ATOM 751 OD1 ASP A 67 -9.315 11.074 6.596 1.00 0.00 O ATOM 752 OD2 ASP A 67 -10.040 9.172 5.767 1.00 0.00 O ATOM 0 H ASP A 67 -6.293 7.536 8.170 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.100 8.802 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.711 8.098 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.135 9.614 8.311 1.00 0.00 H new ATOM 757 N ASP A 68 -6.344 11.240 6.428 1.00 0.00 N ATOM 758 CA ASP A 68 -5.528 12.468 6.587 1.00 0.00 C ATOM 759 C ASP A 68 -5.570 13.057 8.022 1.00 0.00 C ATOM 760 O ASP A 68 -4.823 13.994 8.333 1.00 0.00 O ATOM 761 CB ASP A 68 -5.948 13.535 5.544 1.00 0.00 C ATOM 762 CG ASP A 68 -7.444 13.847 5.530 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.183 13.176 4.780 1.00 0.00 O ATOM 764 OD2 ASP A 68 -7.866 14.760 6.271 1.00 0.00 O ATOM 0 H ASP A 68 -7.199 11.381 5.890 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.493 12.175 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.399 14.455 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.651 13.193 4.552 1.00 0.00 H new ATOM 769 N ALA A 69 -6.435 12.491 8.882 1.00 0.00 N ATOM 770 CA ALA A 69 -6.581 12.942 10.275 1.00 0.00 C ATOM 771 C ALA A 69 -5.713 12.115 11.250 1.00 0.00 C ATOM 772 O ALA A 69 -5.877 12.203 12.476 1.00 0.00 O ATOM 773 CB ALA A 69 -8.053 12.887 10.674 1.00 0.00 C ATOM 0 H ALA A 69 -7.047 11.714 8.633 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.225 13.970 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.163 13.221 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.632 13.537 10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.417 11.863 10.583 1.00 0.00 H new ATOM 779 N ASN A 70 -4.768 11.336 10.690 1.00 0.00 N ATOM 780 CA ASN A 70 -3.869 10.489 11.474 1.00 0.00 C ATOM 781 C ASN A 70 -2.493 11.145 11.643 1.00 0.00 C ATOM 782 O ASN A 70 -2.114 12.032 10.868 1.00 0.00 O ATOM 783 CB ASN A 70 -3.723 9.110 10.801 1.00 0.00 C ATOM 784 CG ASN A 70 -4.944 8.214 10.982 1.00 0.00 C ATOM 785 OD1 ASN A 70 -5.274 7.456 9.943 1.00 0.00 O flip ATOM 786 ND2 ASN A 70 -5.582 8.202 12.038 1.00 0.00 N flip ATOM 0 H ASN A 70 -4.612 11.281 9.684 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.303 10.360 12.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.540 9.252 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.848 8.605 11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.296 8.800 12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.395 7.594 12.136 1.00 0.00 H new ATOM 793 N LYS A 71 -1.760 10.687 12.668 1.00 0.00 N ATOM 794 CA LYS A 71 -0.419 11.198 12.990 1.00 0.00 C ATOM 795 C LYS A 71 0.675 10.414 12.220 1.00 0.00 C ATOM 796 O LYS A 71 0.578 9.187 12.127 1.00 0.00 O ATOM 797 CB LYS A 71 -0.177 11.089 14.504 1.00 0.00 C ATOM 798 CG LYS A 71 0.637 12.240 15.092 1.00 0.00 C ATOM 799 CD LYS A 71 0.877 12.055 16.589 1.00 0.00 C ATOM 800 CE LYS A 71 2.329 11.701 16.887 1.00 0.00 C ATOM 801 NZ LYS A 71 2.560 11.474 18.341 1.00 0.00 N ATOM 0 H LYS A 71 -2.080 9.951 13.298 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.364 12.243 12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.140 11.043 15.012 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.338 10.151 14.712 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.594 12.310 14.576 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.114 13.181 14.921 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.610 12.971 17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.225 11.268 16.968 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.605 10.805 16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.977 12.505 16.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.560 11.236 18.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.321 12.337 18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.961 10.690 18.670 1.00 0.00 H new ATOM 815 N PRO A 72 1.739 11.097 11.651 1.00 0.00 N ATOM 816 CA PRO A 72 2.823 10.409 10.903 1.00 0.00 C ATOM 817 C PRO A 72 3.750 9.578 11.802 1.00 0.00 C ATOM 818 O PRO A 72 4.167 10.034 12.875 1.00 0.00 O ATOM 819 CB PRO A 72 3.617 11.558 10.249 1.00 0.00 C ATOM 820 CG PRO A 72 2.761 12.770 10.393 1.00 0.00 C ATOM 821 CD PRO A 72 1.968 12.566 11.652 1.00 0.00 C ATOM 0 HA PRO A 72 2.407 9.695 10.192 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.580 11.698 10.740 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.822 11.345 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.369 13.672 10.456 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.103 12.888 9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.518 12.891 12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.031 13.123 11.637 1.00 0.00 H new ATOM 829 N VAL A 73 4.047 8.356 11.347 1.00 0.00 N ATOM 830 CA VAL A 73 4.922 7.426 12.076 1.00 0.00 C ATOM 831 C VAL A 73 6.298 7.209 11.358 1.00 0.00 C ATOM 832 O VAL A 73 7.240 6.800 12.046 1.00 0.00 O ATOM 833 CB VAL A 73 4.216 6.044 12.339 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.994 5.184 13.339 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.790 6.234 12.854 1.00 0.00 C ATOM 0 H VAL A 73 3.690 7.983 10.467 1.00 0.00 H new ATOM 0 HA VAL A 73 5.125 7.896 13.039 1.00 0.00 H new ATOM 0 HB VAL A 73 4.189 5.530 11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.471 4.240 13.491 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.993 4.987 12.950 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.073 5.712 14.289 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.332 5.260 13.025 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.812 6.794 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.207 6.784 12.116 1.00 0.00 H new TER 845 VAL A 73