USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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: B 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 52 GLN : amide:sc= 0 X(o=0,f=0.039) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.46 K(o=0.94,f=-0.0053) USER MOD Set 2.2: A 19 TYR OH : rot 169:sc= 0.482 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.221 (180deg=-0.426) USER MOD Single : A 5 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.24) USER MOD Single : A 8 THR OG1 : rot -101:sc= 0.0684 USER MOD Single : A 9 SER OG : rot 82:sc= 0.152 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 21 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.38) USER MOD Single : B 33 ASN : amide:sc= -0.0335 K(o=-0.034,f=-0.77) USER MOD Single : B 34 GLN : amide:sc=-0.00423 X(o=-0.0042,f=-0.15) USER MOD Single : B 35 HIS : no HE2:sc= 0.657 K(o=0.66,f=-2.9!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.768 2.003 -1.121 1.00 25.00 N ATOM 2 CA GLY A 1 3.263 1.180 -2.253 1.00 25.00 C ATOM 3 C GLY A 1 3.918 -0.184 -2.337 1.00 25.00 C ATOM 4 O GLY A 1 3.411 -1.168 -2.821 1.00 25.00 O ATOM 0 H1 GLY A 1 3.132 2.811 -0.969 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.803 1.423 -0.259 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.723 2.351 -1.343 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.185 1.053 -2.149 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.432 1.716 -3.187 1.00 25.00 H new ATOM 9 N ILE A 2 5.092 -0.228 -1.712 1.00 25.00 N ATOM 10 CA ILE A 2 5.927 -1.428 -1.632 1.00 25.00 C ATOM 11 C ILE A 2 5.128 -2.627 -1.096 1.00 25.00 C ATOM 12 O ILE A 2 5.210 -3.734 -1.628 1.00 25.00 O ATOM 13 CB ILE A 2 7.225 -1.166 -0.749 1.00 25.00 C ATOM 14 CG1 ILE A 2 7.970 -2.490 -0.481 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.861 -0.436 0.590 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.227 -2.370 0.399 1.00 25.00 C ATOM 0 H ILE A 2 5.498 0.580 -1.239 1.00 25.00 H new ATOM 0 HA ILE A 2 6.254 -1.671 -2.643 1.00 25.00 H new ATOM 0 HB ILE A 2 7.891 -0.508 -1.307 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.279 -3.187 -0.006 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.256 -2.927 -1.438 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.767 -0.270 1.172 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.393 0.523 0.366 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.169 -1.052 1.164 1.00 25.00 H new ATOM 0 HD11 ILE A 2 9.677 -3.355 0.527 1.00 25.00 H new ATOM 0 HD12 ILE A 2 9.944 -1.703 -0.080 1.00 25.00 H new ATOM 0 HD13 ILE A 2 8.952 -1.967 1.374 1.00 25.00 H new ATOM 28 N VAL A 3 4.339 -2.408 -0.055 1.00 25.00 N ATOM 29 CA VAL A 3 3.621 -3.491 0.596 1.00 25.00 C ATOM 30 C VAL A 3 2.611 -4.141 -0.359 1.00 25.00 C ATOM 31 O VAL A 3 2.653 -5.350 -0.586 1.00 25.00 O ATOM 32 CB VAL A 3 2.898 -2.985 1.889 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.164 -4.143 2.606 1.00 25.00 C ATOM 34 CG2 VAL A 3 3.908 -2.319 2.854 1.00 25.00 C ATOM 0 H VAL A 3 4.180 -1.488 0.357 1.00 25.00 H new ATOM 0 HA VAL A 3 4.354 -4.246 0.882 1.00 25.00 H new ATOM 0 HB VAL A 3 2.158 -2.244 1.587 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.671 -3.763 3.501 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.419 -4.572 1.936 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.884 -4.911 2.888 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.386 -1.974 3.746 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.672 -3.043 3.138 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.379 -1.470 2.359 1.00 25.00 H new ATOM 44 N GLU A 4 1.756 -3.339 -0.961 1.00 25.00 N ATOM 45 CA GLU A 4 0.740 -3.880 -1.857 1.00 25.00 C ATOM 46 C GLU A 4 1.347 -4.422 -3.159 1.00 25.00 C ATOM 47 O GLU A 4 0.796 -5.325 -3.778 1.00 25.00 O ATOM 48 CB GLU A 4 -0.342 -2.824 -2.140 1.00 25.00 C ATOM 49 CG GLU A 4 0.101 -1.637 -2.981 1.00 25.00 C ATOM 50 CD GLU A 4 -0.842 -0.481 -2.889 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.935 0.203 -1.910 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.558 -0.302 -3.959 1.00 25.00 O ATOM 0 H GLU A 4 1.739 -2.325 -0.852 1.00 25.00 H new ATOM 0 HA GLU A 4 0.273 -4.727 -1.355 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.177 -3.311 -2.643 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.718 -2.451 -1.187 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.092 -1.318 -2.659 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.189 -1.947 -4.022 1.00 25.00 H new ATOM 60 N GLN A 5 2.493 -3.886 -3.551 1.00 25.00 N ATOM 61 CA GLN A 5 3.148 -4.344 -4.772 1.00 25.00 C ATOM 62 C GLN A 5 3.785 -5.721 -4.575 1.00 25.00 C ATOM 63 O GLN A 5 3.729 -6.562 -5.464 1.00 25.00 O ATOM 64 CB GLN A 5 4.223 -3.339 -5.201 1.00 25.00 C ATOM 65 CG GLN A 5 4.698 -3.509 -6.635 1.00 25.00 C ATOM 66 CD GLN A 5 3.581 -3.263 -7.644 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.839 -2.301 -7.549 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.460 -4.142 -8.611 1.00 25.00 N ATOM 0 H GLN A 5 2.985 -3.145 -3.052 1.00 25.00 H new ATOM 0 HA GLN A 5 2.389 -4.423 -5.550 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.831 -2.330 -5.077 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.079 -3.432 -4.533 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.519 -2.818 -6.828 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.091 -4.517 -6.769 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.098 -4.936 -8.661 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.728 -4.031 -9.312 1.00 25.00 H new ATOM 77 N CYS A 6 4.386 -5.961 -3.419 1.00 25.00 N ATOM 78 CA CYS A 6 5.093 -7.222 -3.185 1.00 25.00 C ATOM 79 C CYS A 6 4.222 -8.318 -2.575 1.00 25.00 C ATOM 80 O CYS A 6 4.428 -9.497 -2.840 1.00 25.00 O ATOM 81 CB CYS A 6 6.299 -6.974 -2.276 1.00 25.00 C ATOM 82 SG CYS A 6 7.878 -7.418 -3.070 1.00 25.00 S ATOM 0 H CYS A 6 4.402 -5.311 -2.633 1.00 25.00 H new ATOM 0 HA CYS A 6 5.405 -7.581 -4.166 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.323 -5.923 -1.990 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.183 -7.551 -1.359 1.00 25.00 H new ATOM 87 N CYS A 7 3.249 -7.952 -1.750 1.00 25.00 N ATOM 88 CA CYS A 7 2.428 -8.945 -1.040 1.00 25.00 C ATOM 89 C CYS A 7 1.437 -9.694 -1.935 1.00 25.00 C ATOM 90 O CYS A 7 0.730 -10.572 -1.464 1.00 25.00 O ATOM 91 CB CYS A 7 1.663 -8.269 0.096 1.00 25.00 C ATOM 92 SG CYS A 7 2.705 -7.792 1.510 1.00 25.00 S ATOM 0 H CYS A 7 3.004 -6.982 -1.552 1.00 25.00 H new ATOM 0 HA CYS A 7 3.127 -9.689 -0.657 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.167 -7.380 -0.293 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.881 -8.943 0.445 1.00 25.00 H new ATOM 97 N THR A 8 1.387 -9.361 -3.214 1.00 25.00 N ATOM 98 CA THR A 8 0.478 -10.002 -4.150 1.00 25.00 C ATOM 99 C THR A 8 1.206 -10.932 -5.122 1.00 25.00 C ATOM 100 O THR A 8 0.553 -11.629 -5.909 1.00 25.00 O ATOM 101 CB THR A 8 -0.247 -8.928 -4.969 1.00 25.00 C ATOM 102 OG1 THR A 8 0.729 -8.049 -5.535 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.179 -8.102 -4.081 1.00 25.00 C ATOM 0 H THR A 8 1.974 -8.640 -3.632 1.00 25.00 H new ATOM 0 HA THR A 8 -0.222 -10.597 -3.564 1.00 25.00 H new ATOM 0 HB THR A 8 -0.836 -9.418 -5.745 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.773 -7.225 -5.006 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.682 -7.347 -4.685 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.922 -8.756 -3.626 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.598 -7.613 -3.299 1.00 25.00 H new ATOM 111 N SER A 9 2.531 -10.962 -5.097 1.00 25.00 N ATOM 112 CA SER A 9 3.278 -11.746 -6.078 1.00 25.00 C ATOM 113 C SER A 9 4.612 -12.253 -5.545 1.00 25.00 C ATOM 114 O SER A 9 4.907 -12.167 -4.350 1.00 25.00 O ATOM 115 CB SER A 9 3.546 -10.884 -7.324 1.00 25.00 C ATOM 116 OG SER A 9 4.456 -9.840 -7.029 1.00 25.00 O ATOM 0 H SER A 9 3.107 -10.461 -4.420 1.00 25.00 H new ATOM 0 HA SER A 9 2.665 -12.615 -6.318 1.00 25.00 H new ATOM 0 HB2 SER A 9 3.948 -11.507 -8.123 1.00 25.00 H new ATOM 0 HB3 SER A 9 2.609 -10.463 -7.689 1.00 25.00 H new ATOM 0 HG SER A 9 5.373 -10.184 -7.071 1.00 25.00 H new ATOM 122 N ILE A 10 5.423 -12.791 -6.445 1.00 25.00 N ATOM 123 CA ILE A 10 6.802 -13.168 -6.135 1.00 25.00 C ATOM 124 C ILE A 10 7.598 -11.861 -6.189 1.00 25.00 C ATOM 125 O ILE A 10 7.381 -11.054 -7.090 1.00 25.00 O ATOM 126 CB ILE A 10 7.343 -14.159 -7.213 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.718 -15.563 -7.042 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.873 -14.248 -7.177 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.260 -16.392 -5.828 1.00 25.00 C ATOM 0 H ILE A 10 5.148 -12.980 -7.409 1.00 25.00 H new ATOM 0 HA ILE A 10 6.881 -13.660 -5.166 1.00 25.00 H new ATOM 0 HB ILE A 10 7.051 -13.768 -8.187 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.639 -15.452 -6.933 1.00 25.00 H new ATOM 0 HG13 ILE A 10 6.889 -16.133 -7.955 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.215 -14.947 -7.941 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.299 -13.263 -7.369 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.194 -14.597 -6.196 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.759 -17.360 -5.796 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.334 -16.543 -5.941 1.00 25.00 H new ATOM 0 HD13 ILE A 10 7.065 -15.851 -4.902 1.00 25.00 H new ATOM 141 N CYS A 11 8.508 -11.667 -5.240 1.00 25.00 N ATOM 142 CA CYS A 11 9.370 -10.488 -5.223 1.00 25.00 C ATOM 143 C CYS A 11 10.768 -10.881 -5.703 1.00 25.00 C ATOM 144 O CYS A 11 11.201 -12.030 -5.520 1.00 25.00 O ATOM 145 CB CYS A 11 9.440 -9.928 -3.804 1.00 25.00 C ATOM 146 SG CYS A 11 7.808 -9.452 -3.139 1.00 25.00 S ATOM 0 H CYS A 11 8.669 -12.314 -4.468 1.00 25.00 H new ATOM 0 HA CYS A 11 8.964 -9.723 -5.885 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.889 -10.673 -3.148 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.097 -9.058 -3.795 1.00 25.00 H new ATOM 151 N SER A 12 11.476 -9.933 -6.293 1.00 25.00 N ATOM 152 CA SER A 12 12.821 -10.165 -6.833 1.00 25.00 C ATOM 153 C SER A 12 13.808 -9.128 -6.298 1.00 25.00 C ATOM 154 O SER A 12 13.437 -7.997 -6.007 1.00 25.00 O ATOM 155 CB SER A 12 12.768 -10.060 -8.357 1.00 25.00 C ATOM 156 OG SER A 12 11.565 -9.426 -8.760 1.00 25.00 O ATOM 0 H SER A 12 11.142 -8.977 -6.415 1.00 25.00 H new ATOM 0 HA SER A 12 13.155 -11.156 -6.527 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.626 -9.494 -8.720 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.831 -11.054 -8.800 1.00 25.00 H new ATOM 0 HG SER A 12 11.541 -9.362 -9.738 1.00 25.00 H new ATOM 162 N LEU A 13 15.071 -9.526 -6.200 1.00 25.00 N ATOM 163 CA LEU A 13 16.141 -8.666 -5.688 1.00 25.00 C ATOM 164 C LEU A 13 16.280 -7.377 -6.496 1.00 25.00 C ATOM 165 O LEU A 13 16.553 -6.319 -5.935 1.00 25.00 O ATOM 166 CB LEU A 13 17.472 -9.424 -5.752 1.00 25.00 C ATOM 167 CG LEU A 13 18.717 -8.668 -5.257 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.591 -8.308 -3.792 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.966 -9.521 -5.471 1.00 25.00 C ATOM 0 H LEU A 13 15.387 -10.457 -6.473 1.00 25.00 H new ATOM 0 HA LEU A 13 15.886 -8.401 -4.662 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.373 -10.338 -5.166 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.644 -9.725 -6.785 1.00 25.00 H new ATOM 0 HG LEU A 13 18.802 -7.746 -5.832 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.485 -7.775 -3.470 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.718 -7.672 -3.647 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.479 -9.218 -3.202 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.842 -8.978 -5.118 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.869 -10.454 -4.916 1.00 25.00 H new ATOM 0 HD23 LEU A 13 20.079 -9.741 -6.533 1.00 25.00 H new ATOM 181 N TYR A 14 16.075 -7.475 -7.798 1.00 25.00 N ATOM 182 CA TYR A 14 16.212 -6.327 -8.703 1.00 25.00 C ATOM 183 C TYR A 14 15.327 -5.161 -8.262 1.00 25.00 C ATOM 184 O TYR A 14 15.732 -4.002 -8.293 1.00 25.00 O ATOM 185 CB TYR A 14 15.837 -6.752 -10.126 1.00 25.00 C ATOM 186 CG TYR A 14 16.418 -5.891 -11.225 1.00 25.00 C ATOM 187 CD1 TYR A 14 15.782 -4.693 -11.625 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.601 -6.264 -11.876 1.00 25.00 C ATOM 189 CE1 TYR A 14 16.323 -3.895 -12.662 1.00 25.00 C ATOM 190 CE2 TYR A 14 18.149 -5.469 -12.916 1.00 25.00 C ATOM 191 CZ TYR A 14 17.508 -4.291 -13.297 1.00 25.00 C ATOM 192 OH TYR A 14 18.046 -3.515 -14.289 1.00 25.00 O ATOM 0 H TYR A 14 15.810 -8.343 -8.264 1.00 25.00 H new ATOM 0 HA TYR A 14 17.249 -5.992 -8.676 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.164 -7.780 -10.280 1.00 25.00 H new ATOM 0 HB3 TYR A 14 14.751 -6.746 -10.216 1.00 25.00 H new ATOM 0 HD1 TYR A 14 14.872 -4.383 -11.133 1.00 25.00 H new ATOM 0 HD2 TYR A 14 18.105 -7.173 -11.581 1.00 25.00 H new ATOM 0 HE1 TYR A 14 15.825 -2.985 -12.962 1.00 25.00 H new ATOM 0 HE2 TYR A 14 19.059 -5.775 -13.410 1.00 25.00 H new ATOM 0 HH TYR A 14 18.868 -3.933 -14.622 1.00 25.00 H new ATOM 202 N GLN A 15 14.118 -5.473 -7.802 1.00 25.00 N ATOM 203 CA GLN A 15 13.204 -4.447 -7.318 1.00 25.00 C ATOM 204 C GLN A 15 13.449 -4.174 -5.830 1.00 25.00 C ATOM 205 O GLN A 15 13.338 -3.049 -5.376 1.00 25.00 O ATOM 206 CB GLN A 15 11.750 -4.876 -7.522 1.00 25.00 C ATOM 207 CG GLN A 15 10.759 -3.719 -7.405 1.00 25.00 C ATOM 208 CD GLN A 15 9.322 -4.187 -7.417 1.00 25.00 C ATOM 209 OE1 GLN A 15 8.812 -4.652 -6.417 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.653 -4.020 -8.525 1.00 25.00 N ATOM 0 H GLN A 15 13.752 -6.424 -7.755 1.00 25.00 H new ATOM 0 HA GLN A 15 13.388 -3.537 -7.888 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.648 -5.335 -8.505 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.496 -5.639 -6.786 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.952 -3.171 -6.483 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.918 -3.023 -8.229 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.115 -3.626 -9.345 1.00 25.00 H new ATOM 0 HE22 GLN A 15 7.669 -4.283 -8.571 1.00 25.00 H new ATOM 219 N LEU A 16 13.765 -5.222 -5.068 1.00 25.00 N ATOM 220 CA LEU A 16 13.960 -5.084 -3.622 1.00 25.00 C ATOM 221 C LEU A 16 15.037 -4.036 -3.305 1.00 25.00 C ATOM 222 O LEU A 16 14.884 -3.226 -2.394 1.00 25.00 O ATOM 223 CB LEU A 16 14.345 -6.443 -3.014 1.00 25.00 C ATOM 224 CG LEU A 16 14.380 -6.492 -1.472 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.966 -6.457 -0.882 1.00 25.00 C ATOM 226 CD2 LEU A 16 15.093 -7.743 -0.978 1.00 25.00 C ATOM 0 H LEU A 16 13.891 -6.170 -5.424 1.00 25.00 H new ATOM 0 HA LEU A 16 13.022 -4.745 -3.181 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.639 -7.194 -3.369 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.327 -6.726 -3.392 1.00 25.00 H new ATOM 0 HG LEU A 16 14.928 -5.611 -1.139 1.00 25.00 H new ATOM 0 HD11 LEU A 16 13.025 -6.493 0.206 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.467 -5.538 -1.188 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.400 -7.315 -1.243 1.00 25.00 H new ATOM 0 HD21 LEU A 16 15.102 -7.750 0.112 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.570 -8.627 -1.342 1.00 25.00 H new ATOM 0 HD23 LEU A 16 16.118 -7.748 -1.349 1.00 25.00 H new ATOM 238 N GLU A 17 16.087 -4.013 -4.110 1.00 25.00 N ATOM 239 CA GLU A 17 17.182 -3.063 -3.929 1.00 25.00 C ATOM 240 C GLU A 17 16.737 -1.614 -4.039 1.00 25.00 C ATOM 241 O GLU A 17 17.356 -0.744 -3.439 1.00 25.00 O ATOM 242 CB GLU A 17 18.281 -3.330 -4.962 1.00 25.00 C ATOM 243 CG GLU A 17 19.303 -4.345 -4.498 1.00 25.00 C ATOM 244 CD GLU A 17 20.049 -3.895 -3.268 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.642 -2.869 -3.198 1.00 25.00 O ATOM 246 OE2 GLU A 17 19.964 -4.716 -2.288 1.00 25.00 O ATOM 0 H GLU A 17 16.208 -4.645 -4.902 1.00 25.00 H new ATOM 0 HA GLU A 17 17.559 -3.213 -2.917 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.823 -3.682 -5.887 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.788 -2.393 -5.193 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.802 -5.290 -4.289 1.00 25.00 H new ATOM 0 HG3 GLU A 17 20.015 -4.532 -5.302 1.00 25.00 H new ATOM 254 N ASN A 18 15.648 -1.343 -4.744 1.00 25.00 N ATOM 255 CA ASN A 18 15.161 0.029 -4.877 1.00 25.00 C ATOM 256 C ASN A 18 14.689 0.537 -3.510 1.00 25.00 C ATOM 257 O ASN A 18 14.790 1.709 -3.210 1.00 25.00 O ATOM 258 CB ASN A 18 14.011 0.075 -5.895 1.00 25.00 C ATOM 259 CG ASN A 18 13.893 1.424 -6.586 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.842 2.459 -5.964 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.858 1.399 -7.898 1.00 25.00 N ATOM 0 H ASN A 18 15.088 -2.044 -5.229 1.00 25.00 H new ATOM 0 HA ASN A 18 15.966 0.671 -5.234 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.164 -0.701 -6.645 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.073 -0.152 -5.388 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.786 2.271 -8.423 1.00 25.00 H new ATOM 0 HD22 ASN A 18 13.903 0.508 -8.392 1.00 25.00 H new ATOM 268 N TYR A 19 14.247 -0.377 -2.660 1.00 25.00 N ATOM 269 CA TYR A 19 13.760 -0.004 -1.340 1.00 25.00 C ATOM 270 C TYR A 19 14.898 0.064 -0.328 1.00 25.00 C ATOM 271 O TYR A 19 14.679 0.305 0.850 1.00 25.00 O ATOM 272 CB TYR A 19 12.710 -1.010 -0.886 1.00 25.00 C ATOM 273 CG TYR A 19 11.646 -1.317 -1.936 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.858 -0.295 -2.503 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.438 -2.644 -2.367 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.877 -0.596 -3.480 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.457 -2.942 -3.350 1.00 25.00 C ATOM 278 CZ TYR A 19 9.680 -1.913 -3.892 1.00 25.00 C ATOM 279 OH TYR A 19 8.713 -2.195 -4.820 1.00 25.00 O ATOM 0 H TYR A 19 14.215 -1.377 -2.858 1.00 25.00 H new ATOM 0 HA TYR A 19 13.314 0.989 -1.403 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.208 -1.938 -0.607 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.221 -0.629 0.011 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.004 0.728 -2.189 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.031 -3.442 -1.945 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.280 0.197 -3.907 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.311 -3.961 -3.678 1.00 25.00 H new ATOM 0 HH TYR A 19 8.821 -3.117 -5.135 1.00 25.00 H new ATOM 289 N CYS A 20 16.123 -0.161 -0.797 1.00 25.00 N ATOM 290 CA CYS A 20 17.316 -0.107 0.057 1.00 25.00 C ATOM 291 C CYS A 20 18.104 1.181 -0.240 1.00 25.00 C ATOM 292 O CYS A 20 19.232 1.380 0.207 1.00 25.00 O ATOM 293 CB CYS A 20 18.196 -1.341 -0.203 1.00 25.00 C ATOM 294 SG CYS A 20 19.553 -1.604 1.002 1.00 25.00 S ATOM 0 H CYS A 20 16.320 -0.385 -1.772 1.00 25.00 H new ATOM 0 HA CYS A 20 17.014 -0.104 1.104 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.560 -2.226 -0.208 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.629 -1.255 -1.200 1.00 25.00 H new ATOM 299 N ASN A 21 17.494 2.090 -1.010 1.00 25.00 N ATOM 300 CA ASN A 21 18.099 3.386 -1.327 1.00 25.00 C ATOM 301 C ASN A 21 17.043 4.507 -1.398 1.00 25.00 C ATOM 302 O ASN A 21 15.852 4.324 -1.234 1.00 25.00 O ATOM 303 CB ASN A 21 18.956 3.286 -2.609 1.00 25.00 C ATOM 304 CG ASN A 21 18.121 3.180 -3.858 1.00 25.00 C ATOM 305 OD1 ASN A 21 17.548 4.109 -4.346 1.00 25.00 O ATOM 306 ND2 ASN A 21 18.099 2.000 -4.442 1.00 25.00 N ATOM 307 OXT ASN A 21 17.550 5.693 -1.515 1.00 25.00 O ATOM 0 H ASN A 21 16.574 1.948 -1.427 1.00 25.00 H new ATOM 0 HA ASN A 21 18.770 3.660 -0.513 1.00 25.00 H new ATOM 0 HB2 ASN A 21 19.600 4.163 -2.680 1.00 25.00 H new ATOM 0 HB3 ASN A 21 19.609 2.416 -2.538 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.591 1.873 -5.317 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.590 1.212 -4.019 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.540 -14.741 -3.402 1.00 25.00 N ATOM 317 CA PHE B 31 19.076 -14.457 -3.385 1.00 25.00 C ATOM 318 C PHE B 31 18.269 -15.316 -4.324 1.00 25.00 C ATOM 319 O PHE B 31 18.658 -15.598 -5.431 1.00 25.00 O ATOM 320 CB PHE B 31 18.855 -12.980 -3.726 1.00 25.00 C ATOM 321 CG PHE B 31 17.464 -12.465 -3.408 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.417 -12.640 -4.322 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.218 -11.788 -2.206 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.145 -12.158 -4.036 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.940 -11.306 -1.918 1.00 25.00 C ATOM 326 CZ PHE B 31 14.902 -11.497 -2.832 1.00 25.00 C ATOM 0 HA PHE B 31 18.723 -14.695 -2.382 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.584 -12.381 -3.181 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.050 -12.832 -4.788 1.00 25.00 H new ATOM 0 HD1 PHE B 31 16.599 -13.153 -5.255 1.00 25.00 H new ATOM 0 HD2 PHE B 31 18.021 -11.638 -1.499 1.00 25.00 H new ATOM 0 HE1 PHE B 31 14.344 -12.295 -4.747 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.754 -10.786 -0.990 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.911 -11.133 -2.607 1.00 25.00 H new ATOM 337 N VAL B 32 17.094 -15.736 -3.849 1.00 25.00 N ATOM 338 CA VAL B 32 16.171 -16.529 -4.647 1.00 25.00 C ATOM 339 C VAL B 32 14.847 -15.779 -4.734 1.00 25.00 C ATOM 340 O VAL B 32 14.450 -15.065 -3.812 1.00 25.00 O ATOM 341 CB VAL B 32 15.932 -17.947 -4.026 1.00 25.00 C ATOM 342 CG1 VAL B 32 17.230 -18.769 -4.068 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.437 -17.857 -2.565 1.00 25.00 C ATOM 0 H VAL B 32 16.762 -15.535 -2.906 1.00 25.00 H new ATOM 0 HA VAL B 32 16.603 -16.676 -5.637 1.00 25.00 H new ATOM 0 HB VAL B 32 15.160 -18.436 -4.621 1.00 25.00 H new ATOM 0 HG11 VAL B 32 17.052 -19.753 -3.634 1.00 25.00 H new ATOM 0 HG12 VAL B 32 17.556 -18.882 -5.102 1.00 25.00 H new ATOM 0 HG13 VAL B 32 18.004 -18.256 -3.498 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.283 -18.861 -2.170 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.181 -17.340 -1.960 1.00 25.00 H new ATOM 0 HG23 VAL B 32 14.497 -17.306 -2.533 1.00 25.00 H new ATOM 353 N ASN B 33 14.172 -15.923 -5.865 1.00 25.00 N ATOM 354 CA ASN B 33 12.891 -15.243 -6.063 1.00 25.00 C ATOM 355 C ASN B 33 11.888 -15.881 -5.111 1.00 25.00 C ATOM 356 O ASN B 33 11.742 -17.102 -5.083 1.00 25.00 O ATOM 357 CB ASN B 33 12.449 -15.372 -7.525 1.00 25.00 C ATOM 358 CG ASN B 33 13.330 -14.579 -8.457 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.548 -13.395 -8.260 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.857 -15.235 -9.462 1.00 25.00 N ATOM 0 H ASN B 33 14.480 -16.495 -6.652 1.00 25.00 H new ATOM 0 HA ASN B 33 12.970 -14.177 -5.850 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.466 -16.422 -7.817 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.419 -15.031 -7.623 1.00 25.00 H new ATOM 0 HD21 ASN B 33 14.476 -14.755 -10.116 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.648 -16.225 -9.590 1.00 25.00 H new ATOM 367 N GLN B 34 11.275 -15.066 -4.262 1.00 25.00 N ATOM 368 CA GLN B 34 10.489 -15.577 -3.143 1.00 25.00 C ATOM 369 C GLN B 34 9.304 -14.663 -2.873 1.00 25.00 C ATOM 370 O GLN B 34 9.365 -13.468 -3.149 1.00 25.00 O ATOM 371 CB GLN B 34 11.426 -15.618 -1.914 1.00 25.00 C ATOM 372 CG GLN B 34 10.979 -16.513 -0.769 1.00 25.00 C ATOM 373 CD GLN B 34 11.022 -17.989 -1.125 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.064 -18.523 -1.658 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.118 -18.644 -0.820 1.00 25.00 N ATOM 0 H GLN B 34 11.306 -14.048 -4.326 1.00 25.00 H new ATOM 0 HA GLN B 34 10.097 -16.570 -3.364 1.00 25.00 H new ATOM 0 HB2 GLN B 34 12.412 -15.947 -2.243 1.00 25.00 H new ATOM 0 HB3 GLN B 34 11.539 -14.603 -1.533 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.617 -16.334 0.097 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.964 -16.243 -0.478 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.896 -18.157 -0.374 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.192 -19.640 -1.029 1.00 25.00 H new ATOM 384 N HIS B 35 8.233 -15.192 -2.286 1.00 25.00 N ATOM 385 CA HIS B 35 7.125 -14.346 -1.838 1.00 25.00 C ATOM 386 C HIS B 35 7.591 -13.634 -0.579 1.00 25.00 C ATOM 387 O HIS B 35 7.914 -14.292 0.416 1.00 25.00 O ATOM 388 CB HIS B 35 5.877 -15.165 -1.489 1.00 25.00 C ATOM 389 CG HIS B 35 5.163 -15.721 -2.672 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.581 -14.923 -3.665 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.900 -17.001 -3.060 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.008 -15.713 -4.565 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.189 -16.963 -4.220 1.00 25.00 N ATOM 0 H HIS B 35 8.107 -16.189 -2.110 1.00 25.00 H new ATOM 0 HA HIS B 35 6.858 -13.658 -2.640 1.00 25.00 H new ATOM 0 HB2 HIS B 35 6.166 -15.987 -0.834 1.00 25.00 H new ATOM 0 HB3 HIS B 35 5.188 -14.535 -0.926 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.595 -13.903 -3.692 1.00 25.00 H new ATOM 0 HD2 HIS B 35 5.204 -17.895 -2.535 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.476 -15.378 -5.443 1.00 25.00 H new ATOM 402 N LEU B 36 7.600 -12.305 -0.600 1.00 25.00 N ATOM 403 CA LEU B 36 8.011 -11.528 0.563 1.00 25.00 C ATOM 404 C LEU B 36 6.886 -10.575 0.963 1.00 25.00 C ATOM 405 O LEU B 36 6.464 -9.734 0.182 1.00 25.00 O ATOM 406 CB LEU B 36 9.279 -10.727 0.237 1.00 25.00 C ATOM 407 CG LEU B 36 10.568 -11.518 -0.081 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.682 -10.560 -0.467 1.00 25.00 C ATOM 409 CD2 LEU B 36 11.013 -12.375 1.109 1.00 25.00 C ATOM 0 H LEU B 36 7.328 -11.745 -1.408 1.00 25.00 H new ATOM 0 HA LEU B 36 8.223 -12.205 1.390 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.060 -10.086 -0.617 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.488 -10.072 1.082 1.00 25.00 H new ATOM 0 HG LEU B 36 10.351 -12.186 -0.915 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.587 -11.125 -0.690 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.384 -9.991 -1.348 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.876 -9.875 0.359 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.922 -12.916 0.848 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.207 -11.732 1.968 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.226 -13.087 1.359 1.00 25.00 H new ATOM 421 N CYS B 37 6.412 -10.726 2.185 1.00 25.00 N ATOM 422 CA CYS B 37 5.331 -9.892 2.702 1.00 25.00 C ATOM 423 C CYS B 37 5.434 -9.866 4.217 1.00 25.00 C ATOM 424 O CYS B 37 6.028 -10.777 4.811 1.00 25.00 O ATOM 425 CB CYS B 37 3.976 -10.470 2.281 1.00 25.00 C ATOM 426 SG CYS B 37 2.562 -9.403 2.745 1.00 25.00 S ATOM 0 H CYS B 37 6.758 -11.422 2.846 1.00 25.00 H new ATOM 0 HA CYS B 37 5.414 -8.881 2.302 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.971 -10.619 1.201 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.848 -11.451 2.739 1.00 25.00 H new ATOM 431 N GLY B 38 4.871 -8.841 4.833 1.00 25.00 N ATOM 432 CA GLY B 38 4.866 -8.741 6.284 1.00 25.00 C ATOM 433 C GLY B 38 6.266 -8.588 6.824 1.00 25.00 C ATOM 434 O GLY B 38 7.135 -8.008 6.195 1.00 25.00 O ATOM 0 H GLY B 38 4.412 -8.067 4.353 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.260 -7.889 6.590 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.404 -9.631 6.711 1.00 25.00 H new ATOM 438 N SER B 39 6.499 -9.176 7.995 1.00 25.00 N ATOM 439 CA SER B 39 7.810 -9.136 8.630 1.00 25.00 C ATOM 440 C SER B 39 8.891 -9.741 7.740 1.00 25.00 C ATOM 441 O SER B 39 10.033 -9.309 7.786 1.00 25.00 O ATOM 442 CB SER B 39 7.754 -9.893 9.958 1.00 25.00 C ATOM 443 OG SER B 39 7.150 -11.168 9.774 1.00 25.00 O ATOM 0 H SER B 39 5.792 -9.687 8.524 1.00 25.00 H new ATOM 0 HA SER B 39 8.069 -8.091 8.802 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.761 -10.014 10.358 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.187 -9.317 10.689 1.00 25.00 H new ATOM 0 HG SER B 39 7.122 -11.643 10.631 1.00 25.00 H new ATOM 449 N HIS B 40 8.536 -10.697 6.904 1.00 25.00 N ATOM 450 CA HIS B 40 9.517 -11.325 6.019 1.00 25.00 C ATOM 451 C HIS B 40 10.070 -10.345 4.982 1.00 25.00 C ATOM 452 O HIS B 40 11.222 -10.452 4.593 1.00 25.00 O ATOM 453 CB HIS B 40 8.894 -12.532 5.313 1.00 25.00 C ATOM 454 CG HIS B 40 8.344 -13.558 6.248 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.181 -14.295 5.985 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.767 -13.997 7.463 1.00 25.00 C ATOM 457 CE1 HIS B 40 6.976 -15.134 7.000 1.00 25.00 C ATOM 458 NE2 HIS B 40 7.911 -14.957 7.899 1.00 25.00 N ATOM 0 H HIS B 40 7.586 -11.058 6.814 1.00 25.00 H new ATOM 0 HA HIS B 40 10.351 -11.652 6.640 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.095 -12.185 4.658 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.647 -12.999 4.678 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.638 -13.642 7.993 1.00 25.00 H new ATOM 0 HE1 HIS B 40 6.167 -15.846 7.070 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.985 -15.459 8.784 1.00 25.00 H new ATOM 467 N LEU B 41 9.249 -9.398 4.548 1.00 25.00 N ATOM 468 CA LEU B 41 9.678 -8.406 3.557 1.00 25.00 C ATOM 469 C LEU B 41 10.681 -7.462 4.203 1.00 25.00 C ATOM 470 O LEU B 41 11.760 -7.221 3.659 1.00 25.00 O ATOM 471 CB LEU B 41 8.474 -7.604 3.033 1.00 25.00 C ATOM 472 CG LEU B 41 8.720 -6.500 1.993 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.389 -7.014 0.717 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.361 -5.884 1.640 1.00 25.00 C ATOM 0 H LEU B 41 8.284 -9.291 4.862 1.00 25.00 H new ATOM 0 HA LEU B 41 10.139 -8.922 2.715 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.767 -8.313 2.602 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.983 -7.146 3.892 1.00 25.00 H new ATOM 0 HG LEU B 41 9.402 -5.769 2.427 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.535 -6.186 0.024 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.355 -7.454 0.965 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.755 -7.769 0.252 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.500 -5.094 0.902 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.708 -6.654 1.229 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.907 -5.465 2.538 1.00 25.00 H new ATOM 486 N VAL B 42 10.354 -6.965 5.387 1.00 25.00 N ATOM 487 CA VAL B 42 11.227 -6.035 6.095 1.00 25.00 C ATOM 488 C VAL B 42 12.519 -6.729 6.493 1.00 25.00 C ATOM 489 O VAL B 42 13.598 -6.160 6.402 1.00 25.00 O ATOM 490 CB VAL B 42 10.539 -5.488 7.372 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.395 -4.430 8.064 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.167 -4.877 7.018 1.00 25.00 C ATOM 0 H VAL B 42 9.490 -7.190 5.880 1.00 25.00 H new ATOM 0 HA VAL B 42 11.442 -5.205 5.423 1.00 25.00 H new ATOM 0 HB VAL B 42 10.408 -6.327 8.056 1.00 25.00 H new ATOM 0 HG11 VAL B 42 10.880 -4.070 8.955 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.352 -4.866 8.350 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.565 -3.597 7.382 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.694 -4.496 7.923 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.304 -4.060 6.309 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.532 -5.642 6.571 1.00 25.00 H new ATOM 502 N GLU B 43 12.421 -7.983 6.912 1.00 25.00 N ATOM 503 CA GLU B 43 13.588 -8.757 7.329 1.00 25.00 C ATOM 504 C GLU B 43 14.520 -9.052 6.151 1.00 25.00 C ATOM 505 O GLU B 43 15.722 -8.959 6.278 1.00 25.00 O ATOM 506 CB GLU B 43 13.140 -10.058 7.998 1.00 25.00 C ATOM 507 CG GLU B 43 14.254 -10.818 8.711 1.00 25.00 C ATOM 508 CD GLU B 43 13.736 -11.998 9.485 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.759 -11.962 10.182 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.405 -13.072 9.297 1.00 25.00 O ATOM 0 H GLU B 43 11.539 -8.492 6.973 1.00 25.00 H new ATOM 0 HA GLU B 43 14.149 -8.160 8.048 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.354 -9.830 8.718 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.700 -10.708 7.242 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.984 -11.160 7.978 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.775 -10.142 9.389 1.00 25.00 H new ATOM 518 N ALA B 44 13.954 -9.375 4.993 1.00 25.00 N ATOM 519 CA ALA B 44 14.783 -9.615 3.813 1.00 25.00 C ATOM 520 C ALA B 44 15.469 -8.319 3.410 1.00 25.00 C ATOM 521 O ALA B 44 16.640 -8.305 3.057 1.00 25.00 O ATOM 522 CB ALA B 44 13.936 -10.150 2.668 1.00 25.00 C ATOM 0 H ALA B 44 12.950 -9.475 4.845 1.00 25.00 H new ATOM 0 HA ALA B 44 15.540 -10.363 4.050 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.569 -10.323 1.797 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.468 -11.087 2.969 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.164 -9.423 2.416 1.00 25.00 H new ATOM 528 N LEU B 45 14.739 -7.219 3.498 1.00 25.00 N ATOM 529 CA LEU B 45 15.302 -5.914 3.182 1.00 25.00 C ATOM 530 C LEU B 45 16.421 -5.552 4.178 1.00 25.00 C ATOM 531 O LEU B 45 17.476 -5.071 3.788 1.00 25.00 O ATOM 532 CB LEU B 45 14.193 -4.858 3.218 1.00 25.00 C ATOM 533 CG LEU B 45 14.532 -3.523 2.539 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.749 -3.646 1.033 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.415 -2.521 2.823 1.00 25.00 C ATOM 0 H LEU B 45 13.760 -7.202 3.784 1.00 25.00 H new ATOM 0 HA LEU B 45 15.736 -5.946 2.182 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.304 -5.273 2.742 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.935 -4.662 4.259 1.00 25.00 H new ATOM 0 HG LEU B 45 15.478 -3.180 2.958 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.985 -2.666 0.618 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.575 -4.330 0.839 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.842 -4.030 0.565 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.649 -1.570 2.344 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.474 -2.904 2.429 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.324 -2.372 3.899 1.00 25.00 H new ATOM 547 N TYR B 46 16.208 -5.847 5.449 1.00 25.00 N ATOM 548 CA TYR B 46 17.211 -5.617 6.477 1.00 25.00 C ATOM 549 C TYR B 46 18.478 -6.404 6.196 1.00 25.00 C ATOM 550 O TYR B 46 19.583 -5.879 6.304 1.00 25.00 O ATOM 551 CB TYR B 46 16.646 -6.005 7.846 1.00 25.00 C ATOM 552 CG TYR B 46 17.690 -6.104 8.937 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.093 -4.962 9.655 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.282 -7.341 9.263 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.067 -5.063 10.690 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.258 -7.444 10.288 1.00 25.00 C ATOM 557 CZ TYR B 46 19.641 -6.297 10.994 1.00 25.00 C ATOM 558 OH TYR B 46 20.573 -6.367 12.000 1.00 25.00 O ATOM 0 H TYR B 46 15.339 -6.251 5.797 1.00 25.00 H new ATOM 0 HA TYR B 46 17.466 -4.557 6.474 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.897 -5.270 8.140 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.135 -6.964 7.758 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.660 -4.001 9.419 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.987 -8.228 8.722 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.361 -4.182 11.240 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.702 -8.400 10.522 1.00 25.00 H new ATOM 0 HH TYR B 46 20.882 -7.292 12.096 1.00 25.00 H new ATOM 568 N LEU B 47 18.311 -7.670 5.835 1.00 25.00 N ATOM 569 CA LEU B 47 19.443 -8.560 5.585 1.00 25.00 C ATOM 570 C LEU B 47 20.200 -8.173 4.326 1.00 25.00 C ATOM 571 O LEU B 47 21.413 -8.325 4.283 1.00 25.00 O ATOM 572 CB LEU B 47 18.954 -10.011 5.470 1.00 25.00 C ATOM 573 CG LEU B 47 18.464 -10.648 6.787 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.746 -11.959 6.477 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.625 -10.912 7.750 1.00 25.00 C ATOM 0 H LEU B 47 17.398 -8.107 5.708 1.00 25.00 H new ATOM 0 HA LEU B 47 20.127 -8.466 6.428 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.142 -10.047 4.744 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.765 -10.620 5.071 1.00 25.00 H new ATOM 0 HG LEU B 47 17.780 -9.950 7.270 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.398 -12.412 7.406 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.893 -11.762 5.828 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.433 -12.641 5.976 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.242 -11.361 8.667 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.338 -11.592 7.283 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.122 -9.971 7.987 1.00 25.00 H new ATOM 587 N VAL B 48 19.504 -7.691 3.304 1.00 25.00 N ATOM 588 CA VAL B 48 20.178 -7.319 2.060 1.00 25.00 C ATOM 589 C VAL B 48 20.881 -5.957 2.190 1.00 25.00 C ATOM 590 O VAL B 48 21.926 -5.733 1.585 1.00 25.00 O ATOM 591 CB VAL B 48 19.221 -7.383 0.823 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.312 -6.172 0.740 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.021 -7.509 -0.434 1.00 25.00 C ATOM 0 H VAL B 48 18.494 -7.549 3.306 1.00 25.00 H new ATOM 0 HA VAL B 48 20.953 -8.063 1.878 1.00 25.00 H new ATOM 0 HB VAL B 48 18.586 -8.260 0.945 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.666 -6.261 -0.134 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.699 -6.115 1.640 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.916 -5.269 0.654 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.348 -7.553 -1.291 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.680 -6.646 -0.534 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.619 -8.420 -0.395 1.00 25.00 H new ATOM 603 N CYS B 49 20.346 -5.060 3.017 1.00 25.00 N ATOM 604 CA CYS B 49 21.003 -3.771 3.236 1.00 25.00 C ATOM 605 C CYS B 49 22.183 -3.923 4.199 1.00 25.00 C ATOM 606 O CYS B 49 23.259 -3.376 3.961 1.00 25.00 O ATOM 607 CB CYS B 49 20.005 -2.749 3.788 1.00 25.00 C ATOM 608 SG CYS B 49 18.633 -2.369 2.642 1.00 25.00 S ATOM 0 H CYS B 49 19.479 -5.196 3.536 1.00 25.00 H new ATOM 0 HA CYS B 49 21.379 -3.414 2.277 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.592 -3.127 4.723 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.536 -1.827 4.024 1.00 25.00 H new ATOM 613 N GLY B 50 21.977 -4.667 5.285 1.00 25.00 N ATOM 614 CA GLY B 50 23.046 -4.943 6.248 1.00 25.00 C ATOM 615 C GLY B 50 23.480 -3.770 7.127 1.00 25.00 C ATOM 616 O GLY B 50 24.250 -3.942 8.069 1.00 25.00 O ATOM 0 H GLY B 50 21.080 -5.090 5.521 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.721 -5.756 6.897 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.917 -5.301 5.700 1.00 25.00 H new ATOM 620 N GLU B 51 22.994 -2.576 6.809 1.00 25.00 N ATOM 621 CA GLU B 51 23.439 -1.347 7.472 1.00 25.00 C ATOM 622 C GLU B 51 22.826 -1.107 8.858 1.00 25.00 C ATOM 623 O GLU B 51 23.126 -0.112 9.499 1.00 25.00 O ATOM 624 CB GLU B 51 23.136 -0.170 6.564 1.00 25.00 C ATOM 625 CG GLU B 51 23.931 -0.185 5.244 1.00 25.00 C ATOM 626 CD GLU B 51 23.446 0.848 4.266 1.00 25.00 C ATOM 627 OE1 GLU B 51 22.305 0.923 3.918 1.00 25.00 O ATOM 628 OE2 GLU B 51 24.370 1.652 3.856 1.00 25.00 O ATOM 0 H GLU B 51 22.285 -2.428 6.090 1.00 25.00 H new ATOM 0 HA GLU B 51 24.509 -1.458 7.647 1.00 25.00 H new ATOM 0 HB2 GLU B 51 22.070 -0.164 6.336 1.00 25.00 H new ATOM 0 HB3 GLU B 51 23.353 0.755 7.098 1.00 25.00 H new ATOM 0 HG2 GLU B 51 24.986 -0.011 5.457 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.856 -1.173 4.790 1.00 25.00 H new ATOM 636 N GLN B 52 21.975 -2.016 9.296 1.00 25.00 N ATOM 637 CA GLN B 52 21.342 -1.980 10.636 1.00 25.00 C ATOM 638 C GLN B 52 20.655 -0.658 11.049 1.00 25.00 C ATOM 639 O GLN B 52 20.629 -0.313 12.223 1.00 25.00 O ATOM 640 CB GLN B 52 22.354 -2.399 11.721 1.00 25.00 C ATOM 641 CG GLN B 52 23.012 -3.752 11.476 1.00 25.00 C ATOM 642 CD GLN B 52 23.765 -4.248 12.701 1.00 25.00 C ATOM 643 OE1 GLN B 52 23.322 -5.152 13.386 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.921 -3.677 12.955 1.00 25.00 N ATOM 0 H GLN B 52 21.689 -2.819 8.736 1.00 25.00 H new ATOM 0 HA GLN B 52 20.524 -2.695 10.550 1.00 25.00 H new ATOM 0 HB2 GLN B 52 23.131 -1.638 11.790 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.846 -2.424 12.685 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.250 -4.481 11.199 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.700 -3.674 10.634 1.00 25.00 H new ATOM 0 HE21 GLN B 52 25.259 -2.922 12.358 1.00 25.00 H new ATOM 0 HE22 GLN B 52 25.480 -3.989 13.749 1.00 25.00 H new ATOM 653 N GLY B 53 20.081 0.062 10.095 1.00 25.00 N ATOM 654 CA GLY B 53 19.404 1.325 10.393 1.00 25.00 C ATOM 655 C GLY B 53 17.887 1.281 10.335 1.00 25.00 C ATOM 656 O GLY B 53 17.251 2.279 10.014 1.00 25.00 O ATOM 0 H GLY B 53 20.068 -0.202 9.110 1.00 25.00 H new ATOM 0 HA2 GLY B 53 19.703 1.652 11.389 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.756 2.081 9.691 1.00 25.00 H new ATOM 660 N PHE B 54 17.298 0.120 10.590 1.00 25.00 N ATOM 661 CA PHE B 54 15.851 -0.077 10.372 1.00 25.00 C ATOM 662 C PHE B 54 14.920 0.359 11.494 1.00 25.00 C ATOM 663 O PHE B 54 13.734 0.599 11.266 1.00 25.00 O ATOM 664 CB PHE B 54 15.594 -1.548 10.058 1.00 25.00 C ATOM 665 CG PHE B 54 15.728 -1.879 8.609 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.952 -1.703 7.938 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.621 -2.347 7.892 1.00 25.00 C ATOM 668 CE1 PHE B 54 17.069 -1.985 6.566 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.725 -2.643 6.520 1.00 25.00 C ATOM 670 CZ PHE B 54 15.953 -2.454 5.860 1.00 25.00 C ATOM 0 H PHE B 54 17.787 -0.701 10.946 1.00 25.00 H new ATOM 0 HA PHE B 54 15.607 0.587 9.543 1.00 25.00 H new ATOM 0 HB2 PHE B 54 16.292 -2.161 10.629 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.591 -1.813 10.392 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.813 -1.347 8.484 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.676 -2.483 8.397 1.00 25.00 H new ATOM 0 HE1 PHE B 54 18.012 -1.841 6.060 1.00 25.00 H new ATOM 0 HE2 PHE B 54 13.868 -3.013 5.977 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.036 -2.671 4.805 1.00 25.00 H new ATOM 680 N PHE B 55 15.434 0.429 12.706 1.00 25.00 N ATOM 681 CA PHE B 55 14.615 0.833 13.849 1.00 25.00 C ATOM 682 C PHE B 55 15.412 1.770 14.732 1.00 25.00 C ATOM 683 O PHE B 55 16.400 1.381 15.343 1.00 25.00 O ATOM 684 CB PHE B 55 14.167 -0.394 14.651 1.00 25.00 C ATOM 685 CG PHE B 55 12.697 -0.686 14.544 1.00 25.00 C ATOM 686 CD1 PHE B 55 11.764 0.052 15.292 1.00 25.00 C ATOM 687 CD2 PHE B 55 12.238 -1.713 13.687 1.00 25.00 C ATOM 688 CE1 PHE B 55 10.374 -0.219 15.190 1.00 25.00 C ATOM 689 CE2 PHE B 55 10.850 -1.998 13.586 1.00 25.00 C ATOM 690 CZ PHE B 55 9.921 -1.243 14.339 1.00 25.00 C ATOM 0 H PHE B 55 16.405 0.215 12.932 1.00 25.00 H new ATOM 0 HA PHE B 55 13.725 1.346 13.485 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.727 -1.264 14.308 1.00 25.00 H new ATOM 0 HB3 PHE B 55 14.422 -0.244 15.700 1.00 25.00 H new ATOM 0 HD1 PHE B 55 12.108 0.834 15.952 1.00 25.00 H new ATOM 0 HD2 PHE B 55 12.947 -2.284 13.106 1.00 25.00 H new ATOM 0 HE1 PHE B 55 9.666 0.360 15.765 1.00 25.00 H new ATOM 0 HE2 PHE B 55 10.505 -2.789 12.936 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.864 -1.453 14.261 1.00 25.00 H new ATOM 700 N TYR B 56 14.984 3.014 14.787 1.00 25.00 N ATOM 701 CA TYR B 56 15.638 4.020 15.604 1.00 25.00 C ATOM 702 C TYR B 56 14.593 4.993 16.122 1.00 25.00 C ATOM 703 O TYR B 56 13.654 5.330 15.413 1.00 25.00 O ATOM 704 CB TYR B 56 16.678 4.789 14.787 1.00 25.00 C ATOM 705 CG TYR B 56 17.393 5.831 15.611 1.00 25.00 C ATOM 706 CD1 TYR B 56 18.491 5.476 16.425 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.966 7.177 15.601 1.00 25.00 C ATOM 708 CE1 TYR B 56 19.144 6.445 17.211 1.00 25.00 C ATOM 709 CE2 TYR B 56 17.623 8.154 16.396 1.00 25.00 C ATOM 710 CZ TYR B 56 18.705 7.771 17.196 1.00 25.00 C ATOM 711 OH TYR B 56 19.355 8.704 17.955 1.00 25.00 O ATOM 0 H TYR B 56 14.175 3.358 14.269 1.00 25.00 H new ATOM 0 HA TYR B 56 16.142 3.525 16.434 1.00 25.00 H new ATOM 0 HB2 TYR B 56 17.407 4.089 14.378 1.00 25.00 H new ATOM 0 HB3 TYR B 56 16.189 5.271 13.940 1.00 25.00 H new ATOM 0 HD1 TYR B 56 18.833 4.452 16.445 1.00 25.00 H new ATOM 0 HD2 TYR B 56 16.130 7.467 14.982 1.00 25.00 H new ATOM 0 HE1 TYR B 56 19.985 6.163 17.826 1.00 25.00 H new ATOM 0 HE2 TYR B 56 17.291 9.182 16.383 1.00 25.00 H new ATOM 0 HH TYR B 56 18.929 9.578 17.834 1.00 25.00 H new ATOM 721 N THR B 57 14.780 5.448 17.356 1.00 25.00 N ATOM 722 CA THR B 57 13.921 6.453 17.965 1.00 25.00 C ATOM 723 C THR B 57 14.867 7.288 18.827 1.00 25.00 C ATOM 724 O THR B 57 15.890 6.773 19.291 1.00 25.00 O ATOM 725 CB THR B 57 12.834 5.831 18.879 1.00 25.00 C ATOM 726 OG1 THR B 57 13.379 4.685 19.543 1.00 25.00 O ATOM 727 CG2 THR B 57 11.637 5.370 18.078 1.00 25.00 C ATOM 0 H THR B 57 15.535 5.128 17.963 1.00 25.00 H new ATOM 0 HA THR B 57 13.392 7.021 17.199 1.00 25.00 H new ATOM 0 HB THR B 57 12.519 6.595 19.590 1.00 25.00 H new ATOM 0 HG1 THR B 57 12.697 4.288 20.124 1.00 25.00 H new ATOM 0 HG21 THR B 57 10.894 4.939 18.749 1.00 25.00 H new ATOM 0 HG22 THR B 57 11.202 6.220 17.553 1.00 25.00 H new ATOM 0 HG23 THR B 57 11.951 4.618 17.354 1.00 25.00 H new ATOM 735 N PRO B 58 14.546 8.580 19.074 1.00 25.00 N ATOM 736 CA PRO B 58 15.436 9.303 19.986 1.00 25.00 C ATOM 737 C PRO B 58 15.247 8.785 21.414 1.00 25.00 C ATOM 738 O PRO B 58 14.135 8.441 21.818 1.00 25.00 O ATOM 739 CB PRO B 58 14.962 10.753 19.858 1.00 25.00 C ATOM 740 CG PRO B 58 13.528 10.644 19.521 1.00 25.00 C ATOM 741 CD PRO B 58 13.428 9.429 18.619 1.00 25.00 C ATOM 0 HA PRO B 58 16.495 9.186 19.755 1.00 25.00 H new ATOM 0 HB2 PRO B 58 15.111 11.303 20.787 1.00 25.00 H new ATOM 0 HB3 PRO B 58 15.513 11.284 19.082 1.00 25.00 H new ATOM 0 HG2 PRO B 58 12.920 10.521 20.417 1.00 25.00 H new ATOM 0 HG3 PRO B 58 13.172 11.542 19.015 1.00 25.00 H new ATOM 0 HD2 PRO B 58 12.468 8.924 18.728 1.00 25.00 H new ATOM 0 HD3 PRO B 58 13.529 9.698 17.568 1.00 25.00 H new ATOM 749 N LYS B 59 16.330 8.698 22.176 1.00 25.00 N ATOM 750 CA LYS B 59 16.273 8.154 23.534 1.00 25.00 C ATOM 751 C LYS B 59 16.860 9.115 24.557 1.00 25.00 C ATOM 752 O LYS B 59 17.956 8.920 25.044 1.00 25.00 O ATOM 753 CB LYS B 59 17.005 6.810 23.597 1.00 25.00 C ATOM 754 CG LYS B 59 16.465 5.786 22.594 1.00 25.00 C ATOM 755 CD LYS B 59 17.047 4.395 22.793 1.00 25.00 C ATOM 756 CE LYS B 59 16.400 3.687 23.990 1.00 25.00 C ATOM 757 NZ LYS B 59 16.959 2.311 24.192 1.00 25.00 N ATOM 0 H LYS B 59 17.260 8.996 21.880 1.00 25.00 H new ATOM 0 HA LYS B 59 15.222 8.008 23.783 1.00 25.00 H new ATOM 0 HB2 LYS B 59 18.066 6.971 23.407 1.00 25.00 H new ATOM 0 HB3 LYS B 59 16.920 6.403 24.605 1.00 25.00 H new ATOM 0 HG2 LYS B 59 15.380 5.736 22.683 1.00 25.00 H new ATOM 0 HG3 LYS B 59 16.687 6.125 21.582 1.00 25.00 H new ATOM 0 HD2 LYS B 59 16.895 3.802 21.891 1.00 25.00 H new ATOM 0 HD3 LYS B 59 18.123 4.468 22.949 1.00 25.00 H new ATOM 0 HE2 LYS B 59 16.558 4.279 24.891 1.00 25.00 H new ATOM 0 HE3 LYS B 59 15.323 3.623 23.835 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 16.497 1.865 25.010 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 16.786 1.738 23.342 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 17.983 2.374 24.365 1.00 25.00 H new ATOM 771 N THR B 60 16.107 10.179 24.854 1.00 25.00 N ATOM 772 CA THR B 60 16.529 11.199 25.849 1.00 25.00 C ATOM 773 C THR B 60 16.046 10.866 27.261 1.00 25.00 C ATOM 774 O THR B 60 16.725 10.985 28.245 1.00 25.00 O ATOM 775 CB THR B 60 16.130 12.642 25.448 1.00 25.00 C ATOM 776 OG1 THR B 60 16.634 13.569 26.382 1.00 25.00 O ATOM 777 CG2 THR B 60 14.595 12.824 25.355 1.00 25.00 C ATOM 778 OXT THR B 60 14.875 10.304 27.331 1.00 25.00 O ATOM 0 H THR B 60 15.200 10.366 24.425 1.00 25.00 H new ATOM 0 HA THR B 60 17.618 11.165 25.855 1.00 25.00 H new ATOM 0 HB THR B 60 16.560 12.820 24.462 1.00 25.00 H new ATOM 0 HG1 THR B 60 16.376 14.476 26.115 1.00 25.00 H new ATOM 0 HG21 THR B 60 14.367 13.851 25.071 1.00 25.00 H new ATOM 0 HG22 THR B 60 14.193 12.143 24.605 1.00 25.00 H new ATOM 0 HG23 THR B 60 14.143 12.606 26.323 1.00 25.00 H new TER 787 THR B 60