USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 5 GLN : amide:sc= 0.681 K(o=0.88,f=0.18) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.204 USER MOD Single : A 1 GLY N :NH3+ 164:sc= 1.33 (180deg=1.11) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.25 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.513 K(o=0.51,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -135:sc= 0.221 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.61 K(o=0.61,f=-2.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -115:sc= 0.744 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.312 10.409 -2.119 1.00 0.00 N ATOM 2 CA GLY A 1 -3.401 8.944 -2.305 1.00 0.00 C ATOM 3 C GLY A 1 -2.419 8.462 -3.361 1.00 0.00 C ATOM 4 O GLY A 1 -1.624 9.249 -3.879 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.154 10.746 -1.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.460 10.638 -1.568 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.259 10.874 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.197 8.442 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.415 8.673 -2.598 1.00 0.00 H new ATOM 10 N ILE A 2 -2.441 7.172 -3.713 1.00 0.00 N ATOM 11 CA ILE A 2 -1.400 6.562 -4.568 1.00 0.00 C ATOM 12 C ILE A 2 -1.417 7.046 -6.017 1.00 0.00 C ATOM 13 O ILE A 2 -0.356 7.090 -6.631 1.00 0.00 O ATOM 14 CB ILE A 2 -1.362 5.025 -4.470 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.649 4.320 -4.943 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.978 4.634 -3.033 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.499 2.794 -4.986 1.00 0.00 C ATOM 0 H ILE A 2 -3.170 6.522 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.461 6.927 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.605 4.670 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.470 4.583 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.916 4.684 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.947 3.548 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.003 5.045 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.717 5.032 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.433 2.346 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.697 2.526 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.260 2.424 -3.989 1.00 0.00 H new ATOM 29 N VAL A 3 -2.552 7.514 -6.533 1.00 0.00 N ATOM 30 CA VAL A 3 -2.609 8.170 -7.860 1.00 0.00 C ATOM 31 C VAL A 3 -1.746 9.451 -7.919 1.00 0.00 C ATOM 32 O VAL A 3 -1.315 9.832 -9.005 1.00 0.00 O ATOM 33 CB VAL A 3 -4.077 8.416 -8.281 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.273 9.347 -9.491 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.760 7.074 -8.606 1.00 0.00 C ATOM 0 H VAL A 3 -3.453 7.456 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.170 7.490 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.524 8.919 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.337 9.451 -9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.849 10.326 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.771 8.923 -10.361 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.794 7.254 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.229 6.584 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.741 6.433 -7.724 1.00 0.00 H new ATOM 45 N GLU A 4 -1.416 10.079 -6.778 1.00 0.00 N ATOM 46 CA GLU A 4 -0.347 11.090 -6.686 1.00 0.00 C ATOM 47 C GLU A 4 0.986 10.469 -6.233 1.00 0.00 C ATOM 48 O GLU A 4 2.006 10.664 -6.894 1.00 0.00 O ATOM 49 CB GLU A 4 -0.776 12.218 -5.731 1.00 0.00 C ATOM 50 CG GLU A 4 0.231 13.374 -5.693 1.00 0.00 C ATOM 51 CD GLU A 4 -0.235 14.502 -4.764 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.004 14.411 -3.535 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.821 15.495 -5.256 1.00 0.00 O ATOM 0 H GLU A 4 -1.884 9.900 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.186 11.506 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.750 12.599 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.896 11.812 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.199 13.002 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.372 13.767 -6.700 1.00 0.00 H new ATOM 60 N GLN A 5 1.003 9.734 -5.112 1.00 0.00 N ATOM 61 CA GLN A 5 2.245 9.287 -4.463 1.00 0.00 C ATOM 62 C GLN A 5 3.064 8.322 -5.331 1.00 0.00 C ATOM 63 O GLN A 5 4.288 8.366 -5.268 1.00 0.00 O ATOM 64 CB GLN A 5 1.922 8.658 -3.093 1.00 0.00 C ATOM 65 CG GLN A 5 3.151 8.190 -2.291 1.00 0.00 C ATOM 66 CD GLN A 5 4.138 9.316 -1.967 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.814 10.287 -1.290 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.369 9.253 -2.430 1.00 0.00 N ATOM 0 H GLN A 5 0.157 9.432 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 5 2.871 10.168 -4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.371 9.385 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.260 7.806 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.815 7.734 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.669 7.415 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.661 8.456 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.030 10.002 -2.224 1.00 0.00 H new ATOM 77 N CYS A 6 2.432 7.467 -6.140 1.00 0.00 N ATOM 78 CA CYS A 6 3.144 6.571 -7.051 1.00 0.00 C ATOM 79 C CYS A 6 3.484 7.217 -8.396 1.00 0.00 C ATOM 80 O CYS A 6 4.448 6.799 -9.034 1.00 0.00 O ATOM 81 CB CYS A 6 2.299 5.324 -7.293 1.00 0.00 C ATOM 82 SG CYS A 6 2.124 4.215 -5.878 1.00 0.00 S ATOM 0 H CYS A 6 1.417 7.378 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 6 4.090 6.320 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.305 5.637 -7.612 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.738 4.764 -8.119 1.00 0.00 H new ATOM 87 N CYS A 7 2.694 8.190 -8.854 1.00 0.00 N ATOM 88 CA CYS A 7 2.809 8.756 -10.204 1.00 0.00 C ATOM 89 C CYS A 7 3.622 10.057 -10.232 1.00 0.00 C ATOM 90 O CYS A 7 4.664 10.123 -10.896 1.00 0.00 O ATOM 91 CB CYS A 7 1.403 8.946 -10.783 1.00 0.00 C ATOM 92 SG CYS A 7 1.366 9.560 -12.484 1.00 0.00 S ATOM 0 H CYS A 7 1.951 8.612 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 7 3.365 8.056 -10.828 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.876 7.993 -10.743 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.854 9.641 -10.148 1.00 0.00 H new ATOM 97 N THR A 8 3.162 11.080 -9.502 1.00 0.00 N ATOM 98 CA THR A 8 3.779 12.414 -9.405 1.00 0.00 C ATOM 99 C THR A 8 5.042 12.347 -8.558 1.00 0.00 C ATOM 100 O THR A 8 6.067 12.921 -8.923 1.00 0.00 O ATOM 101 CB THR A 8 2.772 13.411 -8.817 1.00 0.00 C ATOM 102 OG1 THR A 8 1.589 13.358 -9.587 1.00 0.00 O ATOM 103 CG2 THR A 8 3.287 14.853 -8.846 1.00 0.00 C ATOM 0 H THR A 8 2.315 11.001 -8.939 1.00 0.00 H new ATOM 0 HA THR A 8 4.059 12.756 -10.401 1.00 0.00 H new ATOM 0 HB THR A 8 2.602 13.132 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.933 13.989 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.535 15.516 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.206 14.923 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.487 15.147 -9.876 1.00 0.00 H new ATOM 111 N SER A 9 4.989 11.601 -7.456 1.00 0.00 N ATOM 112 CA SER A 9 6.172 11.171 -6.695 1.00 0.00 C ATOM 113 C SER A 9 6.519 9.691 -6.989 1.00 0.00 C ATOM 114 O SER A 9 6.068 9.129 -7.991 1.00 0.00 O ATOM 115 CB SER A 9 5.942 11.474 -5.206 1.00 0.00 C ATOM 116 OG SER A 9 7.156 11.392 -4.468 1.00 0.00 O ATOM 0 H SER A 9 4.111 11.270 -7.056 1.00 0.00 H new ATOM 0 HA SER A 9 7.051 11.733 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.515 12.471 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.217 10.770 -4.797 1.00 0.00 H new ATOM 0 HG SER A 9 6.980 11.591 -3.525 1.00 0.00 H new ATOM 122 N ILE A 10 7.337 9.057 -6.145 1.00 0.00 N ATOM 123 CA ILE A 10 7.711 7.633 -6.213 1.00 0.00 C ATOM 124 C ILE A 10 7.040 6.846 -5.078 1.00 0.00 C ATOM 125 O ILE A 10 6.923 7.342 -3.955 1.00 0.00 O ATOM 126 CB ILE A 10 9.256 7.501 -6.179 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.810 7.945 -7.553 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.755 6.087 -5.811 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.338 7.868 -7.688 1.00 0.00 C ATOM 0 H ILE A 10 7.778 9.538 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 10 7.356 7.205 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 10 9.629 8.145 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.359 7.325 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.494 8.971 -7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.845 6.075 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.387 5.817 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.386 5.369 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.632 8.199 -8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.802 8.511 -6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.665 6.840 -7.536 1.00 0.00 H new ATOM 141 N CYS A 11 6.664 5.594 -5.353 1.00 0.00 N ATOM 142 CA CYS A 11 6.223 4.637 -4.325 1.00 0.00 C ATOM 143 C CYS A 11 6.877 3.260 -4.471 1.00 0.00 C ATOM 144 O CYS A 11 7.441 2.924 -5.514 1.00 0.00 O ATOM 145 CB CYS A 11 4.694 4.526 -4.336 1.00 0.00 C ATOM 146 SG CYS A 11 3.999 3.485 -5.644 1.00 0.00 S ATOM 0 H CYS A 11 6.656 5.210 -6.298 1.00 0.00 H new ATOM 0 HA CYS A 11 6.549 5.024 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.368 4.135 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.275 5.528 -4.431 1.00 0.00 H new ATOM 151 N SER A 12 6.801 2.451 -3.419 1.00 0.00 N ATOM 152 CA SER A 12 7.301 1.072 -3.393 1.00 0.00 C ATOM 153 C SER A 12 6.197 0.010 -3.553 1.00 0.00 C ATOM 154 O SER A 12 5.016 0.261 -3.300 1.00 0.00 O ATOM 155 CB SER A 12 8.084 0.823 -2.095 1.00 0.00 C ATOM 156 OG SER A 12 7.223 0.769 -0.966 1.00 0.00 O ATOM 0 H SER A 12 6.380 2.740 -2.536 1.00 0.00 H new ATOM 0 HA SER A 12 7.956 0.966 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.637 -0.113 -2.177 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.819 1.616 -1.955 1.00 0.00 H new ATOM 0 HG SER A 12 7.753 0.608 -0.158 1.00 0.00 H new ATOM 162 N LEU A 13 6.586 -1.221 -3.909 1.00 0.00 N ATOM 163 CA LEU A 13 5.681 -2.378 -3.914 1.00 0.00 C ATOM 164 C LEU A 13 5.150 -2.691 -2.504 1.00 0.00 C ATOM 165 O LEU A 13 3.992 -3.063 -2.335 1.00 0.00 O ATOM 166 CB LEU A 13 6.424 -3.593 -4.495 1.00 0.00 C ATOM 167 CG LEU A 13 6.977 -3.433 -5.929 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.539 -4.781 -6.403 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.937 -2.925 -6.938 1.00 0.00 C ATOM 0 H LEU A 13 7.537 -1.443 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 13 4.817 -2.142 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.255 -3.835 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.747 -4.447 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 13 7.758 -2.674 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.931 -4.676 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.340 -5.097 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.746 -5.528 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.397 -2.838 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.105 -3.627 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.569 -1.949 -6.621 1.00 0.00 H new ATOM 181 N TYR A 14 5.975 -2.472 -1.478 1.00 0.00 N ATOM 182 CA TYR A 14 5.581 -2.584 -0.067 1.00 0.00 C ATOM 183 C TYR A 14 4.503 -1.558 0.334 1.00 0.00 C ATOM 184 O TYR A 14 3.629 -1.865 1.144 1.00 0.00 O ATOM 185 CB TYR A 14 6.842 -2.454 0.795 1.00 0.00 C ATOM 186 CG TYR A 14 6.600 -2.537 2.291 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.364 -3.787 2.898 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.603 -1.366 3.074 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.135 -3.867 4.286 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.373 -1.437 4.459 1.00 0.00 C ATOM 191 CZ TYR A 14 6.143 -2.690 5.073 1.00 0.00 C ATOM 192 OH TYR A 14 5.921 -2.759 6.417 1.00 0.00 O ATOM 0 H TYR A 14 6.952 -2.207 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 14 5.120 -3.558 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.543 -3.239 0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.322 -1.501 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.359 -4.685 2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.783 -0.409 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.953 -4.826 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.372 -0.535 5.054 1.00 0.00 H new ATOM 0 HH TYR A 14 5.963 -1.859 6.802 1.00 0.00 H new ATOM 202 N GLN A 15 4.519 -0.364 -0.266 1.00 0.00 N ATOM 203 CA GLN A 15 3.457 0.633 -0.111 1.00 0.00 C ATOM 204 C GLN A 15 2.190 0.237 -0.883 1.00 0.00 C ATOM 205 O GLN A 15 1.102 0.388 -0.333 1.00 0.00 O ATOM 206 CB GLN A 15 3.957 2.018 -0.544 1.00 0.00 C ATOM 207 CG GLN A 15 4.897 2.636 0.506 1.00 0.00 C ATOM 208 CD GLN A 15 5.574 3.914 0.006 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.916 4.054 -1.160 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.803 4.895 0.858 1.00 0.00 N ATOM 0 H GLN A 15 5.276 -0.060 -0.878 1.00 0.00 H new ATOM 0 HA GLN A 15 3.189 0.676 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.480 1.935 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.105 2.679 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.330 2.859 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.660 1.907 0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.525 4.798 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.258 5.751 0.540 1.00 0.00 H new ATOM 219 N LEU A 16 2.296 -0.318 -2.097 1.00 0.00 N ATOM 220 CA LEU A 16 1.134 -0.851 -2.835 1.00 0.00 C ATOM 221 C LEU A 16 0.423 -1.977 -2.064 1.00 0.00 C ATOM 222 O LEU A 16 -0.805 -2.060 -2.112 1.00 0.00 O ATOM 223 CB LEU A 16 1.570 -1.345 -4.229 1.00 0.00 C ATOM 224 CG LEU A 16 2.014 -0.247 -5.213 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.465 -0.899 -6.529 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.899 0.764 -5.514 1.00 0.00 C ATOM 0 H LEU A 16 3.181 -0.412 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 16 0.418 -0.037 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.391 -2.051 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.742 -1.895 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 16 2.833 0.297 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.780 -0.125 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.299 -1.573 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.636 -1.461 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.268 1.515 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.047 0.246 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.589 1.250 -4.589 1.00 0.00 H new ATOM 238 N GLU A 17 1.164 -2.799 -1.311 1.00 0.00 N ATOM 239 CA GLU A 17 0.607 -3.895 -0.509 1.00 0.00 C ATOM 240 C GLU A 17 -0.394 -3.417 0.571 1.00 0.00 C ATOM 241 O GLU A 17 -1.296 -4.165 0.958 1.00 0.00 O ATOM 242 CB GLU A 17 1.766 -4.696 0.111 1.00 0.00 C ATOM 243 CG GLU A 17 1.343 -6.090 0.584 1.00 0.00 C ATOM 244 CD GLU A 17 2.546 -6.868 1.139 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.253 -7.547 0.358 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.786 -6.816 2.369 1.00 0.00 O ATOM 0 H GLU A 17 2.179 -2.721 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 17 0.025 -4.535 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.566 -4.794 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.174 -4.140 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.576 -6.000 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.899 -6.641 -0.245 1.00 0.00 H new ATOM 253 N ASN A 18 -0.301 -2.160 1.018 1.00 0.00 N ATOM 254 CA ASN A 18 -1.267 -1.547 1.941 1.00 0.00 C ATOM 255 C ASN A 18 -2.675 -1.385 1.324 1.00 0.00 C ATOM 256 O ASN A 18 -3.672 -1.352 2.049 1.00 0.00 O ATOM 257 CB ASN A 18 -0.703 -0.184 2.381 1.00 0.00 C ATOM 258 CG ASN A 18 -1.609 0.535 3.380 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.709 0.156 4.542 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.296 1.582 2.958 1.00 0.00 N ATOM 0 H ASN A 18 0.455 -1.531 0.747 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.397 -2.209 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.280 -0.330 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.564 0.447 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.913 2.079 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.209 1.893 1.990 1.00 0.00 H new ATOM 267 N TYR A 19 -2.767 -1.291 -0.008 1.00 0.00 N ATOM 268 CA TYR A 19 -4.002 -1.020 -0.760 1.00 0.00 C ATOM 269 C TYR A 19 -4.664 -2.282 -1.350 1.00 0.00 C ATOM 270 O TYR A 19 -5.703 -2.198 -2.008 1.00 0.00 O ATOM 271 CB TYR A 19 -3.670 0.036 -1.821 1.00 0.00 C ATOM 272 CG TYR A 19 -3.247 1.352 -1.194 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.217 2.246 -0.701 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.882 1.634 -1.006 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.820 3.415 -0.021 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.477 2.794 -0.319 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.448 3.695 0.169 1.00 0.00 C ATOM 278 OH TYR A 19 -2.073 4.825 0.829 1.00 0.00 O ATOM 0 H TYR A 19 -1.955 -1.405 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.762 -0.640 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.871 -0.334 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.541 0.199 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.267 2.036 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.137 0.954 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.566 4.099 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.427 2.994 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.095 4.868 0.875 1.00 0.00 H new ATOM 288 N CYS A 20 -4.098 -3.462 -1.084 1.00 0.00 N ATOM 289 CA CYS A 20 -4.759 -4.753 -1.301 1.00 0.00 C ATOM 290 C CYS A 20 -5.995 -4.950 -0.399 1.00 0.00 C ATOM 291 O CYS A 20 -6.110 -4.339 0.667 1.00 0.00 O ATOM 292 CB CYS A 20 -3.750 -5.887 -1.080 1.00 0.00 C ATOM 293 SG CYS A 20 -2.231 -5.773 -2.058 1.00 0.00 S ATOM 0 H CYS A 20 -3.154 -3.549 -0.707 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.120 -4.769 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.482 -5.911 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.238 -6.835 -1.307 1.00 0.00 H new ATOM 298 N ASN A 21 -6.913 -5.829 -0.817 1.00 0.00 N ATOM 299 CA ASN A 21 -8.132 -6.186 -0.073 1.00 0.00 C ATOM 300 C ASN A 21 -7.840 -6.957 1.234 1.00 0.00 C ATOM 301 O ASN A 21 -8.451 -6.619 2.271 1.00 0.00 O ATOM 302 CB ASN A 21 -9.060 -6.984 -1.013 1.00 0.00 C ATOM 303 CG ASN A 21 -10.386 -7.366 -0.369 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.638 -8.516 -0.033 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.278 -6.418 -0.175 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.016 -7.901 1.207 1.00 0.00 O ATOM 0 H ASN A 21 -6.829 -6.326 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.625 -5.268 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.256 -6.392 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.547 -7.890 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.176 -6.643 0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.072 -5.459 -0.454 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.499 -5.331 -1.573 1.00 0.00 N ATOM 315 CA PHE B 1 11.503 -4.801 -2.544 1.00 0.00 C ATOM 316 C PHE B 1 12.100 -3.659 -3.383 1.00 0.00 C ATOM 317 O PHE B 1 13.236 -3.250 -3.140 1.00 0.00 O ATOM 318 CB PHE B 1 10.185 -4.404 -1.836 1.00 0.00 C ATOM 319 CG PHE B 1 10.311 -3.358 -0.739 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.423 -1.990 -1.057 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.295 -3.752 0.616 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.526 -1.028 -0.037 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.387 -2.788 1.638 1.00 0.00 C ATOM 324 CZ PHE B 1 10.503 -1.427 1.311 1.00 0.00 C ATOM 0 H1 PHE B 1 12.479 -6.371 -1.588 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.449 -4.999 -1.834 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.265 -4.994 -0.617 1.00 0.00 H new ATOM 0 HA PHE B 1 11.248 -5.598 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.489 -4.032 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.741 -5.302 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.430 -1.678 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.212 -4.798 0.870 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.623 0.018 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.368 -3.095 2.673 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.574 -0.687 2.095 1.00 0.00 H new ATOM 336 N VAL B 2 11.357 -3.136 -4.370 1.00 0.00 N ATOM 337 CA VAL B 2 11.759 -2.013 -5.250 1.00 0.00 C ATOM 338 C VAL B 2 10.735 -0.862 -5.227 1.00 0.00 C ATOM 339 O VAL B 2 9.631 -1.011 -4.694 1.00 0.00 O ATOM 340 CB VAL B 2 12.017 -2.480 -6.709 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.181 -3.485 -6.776 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.771 -3.083 -7.384 1.00 0.00 C ATOM 0 H VAL B 2 10.427 -3.491 -4.590 1.00 0.00 H new ATOM 0 HA VAL B 2 12.698 -1.633 -4.847 1.00 0.00 H new ATOM 0 HB VAL B 2 12.282 -1.579 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.337 -3.793 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.089 -3.016 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.943 -4.359 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.020 -3.389 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.434 -3.950 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.976 -2.337 -7.414 1.00 0.00 H new ATOM 352 N ASN B 3 11.107 0.278 -5.818 1.00 0.00 N ATOM 353 CA ASN B 3 10.303 1.502 -5.899 1.00 0.00 C ATOM 354 C ASN B 3 10.462 2.224 -7.248 1.00 0.00 C ATOM 355 O ASN B 3 11.539 2.196 -7.846 1.00 0.00 O ATOM 356 CB ASN B 3 10.645 2.417 -4.705 1.00 0.00 C ATOM 357 CG ASN B 3 12.125 2.793 -4.614 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.913 2.128 -3.954 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.551 3.863 -5.265 1.00 0.00 N ATOM 0 H ASN B 3 12.015 0.377 -6.272 1.00 0.00 H new ATOM 0 HA ASN B 3 9.250 1.227 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.053 3.329 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.350 1.918 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.534 4.132 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.897 4.419 -5.816 1.00 0.00 H new ATOM 366 N GLN B 4 9.388 2.849 -7.751 1.00 0.00 N ATOM 367 CA GLN B 4 9.279 3.372 -9.121 1.00 0.00 C ATOM 368 C GLN B 4 8.278 4.544 -9.215 1.00 0.00 C ATOM 369 O GLN B 4 7.472 4.773 -8.312 1.00 0.00 O ATOM 370 CB GLN B 4 8.805 2.241 -10.067 1.00 0.00 C ATOM 371 CG GLN B 4 9.829 1.144 -10.410 1.00 0.00 C ATOM 372 CD GLN B 4 10.999 1.658 -11.252 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.949 1.703 -12.475 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.088 2.086 -10.646 1.00 0.00 N ATOM 0 H GLN B 4 8.545 3.010 -7.199 1.00 0.00 H new ATOM 0 HA GLN B 4 10.264 3.738 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.935 1.764 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.471 2.696 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.215 0.714 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.326 0.341 -10.949 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.150 2.057 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.869 2.446 -11.195 1.00 0.00 H new ATOM 383 N HIS B 5 8.281 5.241 -10.360 1.00 0.00 N ATOM 384 CA HIS B 5 7.121 5.996 -10.839 1.00 0.00 C ATOM 385 C HIS B 5 6.154 5.036 -11.567 1.00 0.00 C ATOM 386 O HIS B 5 6.561 4.294 -12.470 1.00 0.00 O ATOM 387 CB HIS B 5 7.552 7.116 -11.805 1.00 0.00 C ATOM 388 CG HIS B 5 8.175 8.324 -11.149 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.498 9.393 -10.609 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.512 8.621 -11.087 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.404 10.310 -10.227 1.00 0.00 C ATOM 392 NE2 HIS B 5 9.652 9.886 -10.501 1.00 0.00 N ATOM 0 H HIS B 5 9.090 5.295 -10.979 1.00 0.00 H new ATOM 0 HA HIS B 5 6.625 6.452 -9.982 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.263 6.703 -12.520 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.680 7.440 -12.373 1.00 0.00 H new ATOM 0 HD1 HIS B 5 6.486 9.475 -10.515 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.318 7.989 -11.430 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.164 11.256 -9.764 1.00 0.00 H new ATOM 400 N LEU B 6 4.872 5.063 -11.195 1.00 0.00 N ATOM 401 CA LEU B 6 3.794 4.211 -11.703 1.00 0.00 C ATOM 402 C LEU B 6 2.509 5.044 -11.813 1.00 0.00 C ATOM 403 O LEU B 6 2.077 5.647 -10.833 1.00 0.00 O ATOM 404 CB LEU B 6 3.596 3.030 -10.731 1.00 0.00 C ATOM 405 CG LEU B 6 4.717 1.972 -10.706 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.509 1.047 -9.503 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.737 1.145 -12.002 1.00 0.00 C ATOM 0 H LEU B 6 4.539 5.719 -10.489 1.00 0.00 H new ATOM 0 HA LEU B 6 4.044 3.820 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.481 3.431 -9.724 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.660 2.531 -10.984 1.00 0.00 H new ATOM 0 HG LEU B 6 5.675 2.485 -10.623 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.299 0.296 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.538 1.633 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.541 0.553 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.539 0.409 -11.951 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.782 0.634 -12.122 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.904 1.806 -12.853 1.00 0.00 H new ATOM 419 N CYS B 7 1.891 5.077 -12.995 1.00 0.00 N ATOM 420 CA CYS B 7 0.726 5.913 -13.312 1.00 0.00 C ATOM 421 C CYS B 7 -0.370 5.102 -14.015 1.00 0.00 C ATOM 422 O CYS B 7 -0.079 4.224 -14.832 1.00 0.00 O ATOM 423 CB CYS B 7 1.171 7.059 -14.233 1.00 0.00 C ATOM 424 SG CYS B 7 2.424 8.194 -13.569 1.00 0.00 S ATOM 0 H CYS B 7 2.195 4.506 -13.784 1.00 0.00 H new ATOM 0 HA CYS B 7 0.318 6.303 -12.379 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.558 6.625 -15.155 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.290 7.643 -14.501 1.00 0.00 H new ATOM 429 N GLY B 8 -1.633 5.419 -13.716 1.00 0.00 N ATOM 430 CA GLY B 8 -2.819 4.946 -14.453 1.00 0.00 C ATOM 431 C GLY B 8 -2.913 3.424 -14.562 1.00 0.00 C ATOM 432 O GLY B 8 -2.907 2.712 -13.559 1.00 0.00 O ATOM 0 H GLY B 8 -1.870 6.029 -12.933 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.715 5.321 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.805 5.372 -15.456 1.00 0.00 H new ATOM 436 N SER B 9 -2.974 2.916 -15.791 1.00 0.00 N ATOM 437 CA SER B 9 -3.075 1.477 -16.076 1.00 0.00 C ATOM 438 C SER B 9 -1.855 0.712 -15.551 1.00 0.00 C ATOM 439 O SER B 9 -1.981 -0.413 -15.074 1.00 0.00 O ATOM 440 CB SER B 9 -3.220 1.240 -17.587 1.00 0.00 C ATOM 441 OG SER B 9 -4.316 1.968 -18.126 1.00 0.00 O ATOM 0 H SER B 9 -2.955 3.495 -16.631 1.00 0.00 H new ATOM 0 HA SER B 9 -3.960 1.103 -15.562 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.301 1.537 -18.093 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.360 0.176 -17.778 1.00 0.00 H new ATOM 0 HG SER B 9 -4.380 1.797 -19.089 1.00 0.00 H new ATOM 447 N HIS B 10 -0.673 1.329 -15.565 1.00 0.00 N ATOM 448 CA HIS B 10 0.566 0.722 -15.070 1.00 0.00 C ATOM 449 C HIS B 10 0.574 0.643 -13.534 1.00 0.00 C ATOM 450 O HIS B 10 1.002 -0.364 -12.967 1.00 0.00 O ATOM 451 CB HIS B 10 1.757 1.538 -15.598 1.00 0.00 C ATOM 452 CG HIS B 10 1.698 1.829 -17.081 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.641 3.075 -17.667 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.616 0.906 -18.092 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.537 2.904 -18.995 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.519 1.596 -19.309 1.00 0.00 N ATOM 0 H HIS B 10 -0.546 2.275 -15.924 1.00 0.00 H new ATOM 0 HA HIS B 10 0.641 -0.303 -15.434 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.806 2.482 -15.055 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.678 0.998 -15.381 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.625 -0.167 -17.972 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.476 3.708 -19.714 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.449 1.189 -20.242 1.00 0.00 H new ATOM 464 N LEU B 11 0.035 1.665 -12.855 1.00 0.00 N ATOM 465 CA LEU B 11 -0.208 1.653 -11.408 1.00 0.00 C ATOM 466 C LEU B 11 -1.223 0.567 -11.030 1.00 0.00 C ATOM 467 O LEU B 11 -0.954 -0.224 -10.127 1.00 0.00 O ATOM 468 CB LEU B 11 -0.661 3.058 -10.960 1.00 0.00 C ATOM 469 CG LEU B 11 -1.016 3.194 -9.467 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.145 2.777 -8.561 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.405 4.651 -9.176 1.00 0.00 C ATOM 0 H LEU B 11 -0.248 2.536 -13.304 1.00 0.00 H new ATOM 0 HA LEU B 11 0.715 1.407 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.132 3.768 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.531 3.346 -11.550 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.851 2.527 -9.254 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.149 2.889 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.403 1.736 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.010 3.409 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.658 4.756 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.567 5.306 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.266 4.926 -9.785 1.00 0.00 H new ATOM 483 N VAL B 12 -2.354 0.493 -11.732 1.00 0.00 N ATOM 484 CA VAL B 12 -3.399 -0.521 -11.488 1.00 0.00 C ATOM 485 C VAL B 12 -2.889 -1.947 -11.753 1.00 0.00 C ATOM 486 O VAL B 12 -3.204 -2.856 -10.989 1.00 0.00 O ATOM 487 CB VAL B 12 -4.679 -0.197 -12.298 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.714 -1.332 -12.292 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.359 1.068 -11.744 1.00 0.00 C ATOM 0 H VAL B 12 -2.579 1.135 -12.492 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.661 -0.482 -10.431 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.344 -0.051 -13.325 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.583 -1.035 -12.879 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.273 -2.229 -12.726 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.021 -1.539 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.257 1.282 -12.324 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.631 0.908 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.672 1.911 -11.815 1.00 0.00 H new ATOM 499 N GLU B 13 -2.055 -2.137 -12.781 1.00 0.00 N ATOM 500 CA GLU B 13 -1.393 -3.413 -13.081 1.00 0.00 C ATOM 501 C GLU B 13 -0.380 -3.801 -11.993 1.00 0.00 C ATOM 502 O GLU B 13 -0.411 -4.928 -11.504 1.00 0.00 O ATOM 503 CB GLU B 13 -0.713 -3.324 -14.454 1.00 0.00 C ATOM 504 CG GLU B 13 -0.136 -4.666 -14.921 1.00 0.00 C ATOM 505 CD GLU B 13 0.376 -4.575 -16.366 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.526 -4.126 -16.581 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.368 -4.961 -17.301 1.00 0.00 O ATOM 0 H GLU B 13 -1.816 -1.396 -13.440 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.150 -4.197 -13.102 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.435 -2.969 -15.189 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.087 -2.585 -14.411 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.679 -4.964 -14.261 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.902 -5.439 -14.851 1.00 0.00 H new ATOM 514 N ALA B 14 0.490 -2.876 -11.575 1.00 0.00 N ATOM 515 CA ALA B 14 1.471 -3.127 -10.514 1.00 0.00 C ATOM 516 C ALA B 14 0.795 -3.490 -9.183 1.00 0.00 C ATOM 517 O ALA B 14 1.176 -4.469 -8.538 1.00 0.00 O ATOM 518 CB ALA B 14 2.372 -1.897 -10.376 1.00 0.00 C ATOM 0 H ALA B 14 0.534 -1.933 -11.962 1.00 0.00 H new ATOM 0 HA ALA B 14 2.079 -3.990 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.107 -2.071 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.886 -1.715 -11.320 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.765 -1.028 -10.120 1.00 0.00 H new ATOM 524 N LEU B 15 -0.253 -2.749 -8.808 1.00 0.00 N ATOM 525 CA LEU B 15 -1.077 -3.019 -7.630 1.00 0.00 C ATOM 526 C LEU B 15 -1.701 -4.418 -7.709 1.00 0.00 C ATOM 527 O LEU B 15 -1.509 -5.227 -6.804 1.00 0.00 O ATOM 528 CB LEU B 15 -2.115 -1.888 -7.511 1.00 0.00 C ATOM 529 CG LEU B 15 -3.067 -1.979 -6.302 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.330 -2.030 -4.958 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.994 -0.759 -6.314 1.00 0.00 C ATOM 0 H LEU B 15 -0.557 -1.926 -9.329 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.474 -3.027 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.585 -0.937 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.714 -1.872 -8.421 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.626 -2.910 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.056 -2.093 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.680 -2.905 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.730 -1.128 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.674 -0.810 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.398 0.151 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.570 -0.749 -7.239 1.00 0.00 H new ATOM 543 N TYR B 16 -2.352 -4.758 -8.823 1.00 0.00 N ATOM 544 CA TYR B 16 -2.887 -6.104 -9.052 1.00 0.00 C ATOM 545 C TYR B 16 -1.815 -7.211 -8.958 1.00 0.00 C ATOM 546 O TYR B 16 -2.078 -8.265 -8.381 1.00 0.00 O ATOM 547 CB TYR B 16 -3.598 -6.164 -10.412 1.00 0.00 C ATOM 548 CG TYR B 16 -4.127 -7.549 -10.750 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.087 -8.161 -9.919 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.607 -8.258 -11.852 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.529 -9.470 -10.185 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.050 -9.566 -12.127 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.009 -10.181 -11.288 1.00 0.00 C ATOM 554 OH TYR B 16 -5.429 -11.453 -11.540 1.00 0.00 O ATOM 0 H TYR B 16 -2.524 -4.110 -9.592 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.601 -6.298 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.426 -5.455 -10.413 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.905 -5.846 -11.191 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.486 -7.622 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.866 -7.796 -12.488 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.267 -9.931 -9.545 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.657 -10.100 -12.979 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.973 -11.796 -12.336 1.00 0.00 H new ATOM 564 N LEU B 17 -0.601 -6.969 -9.464 1.00 0.00 N ATOM 565 CA LEU B 17 0.516 -7.923 -9.398 1.00 0.00 C ATOM 566 C LEU B 17 1.084 -8.080 -7.980 1.00 0.00 C ATOM 567 O LEU B 17 1.474 -9.186 -7.602 1.00 0.00 O ATOM 568 CB LEU B 17 1.609 -7.511 -10.402 1.00 0.00 C ATOM 569 CG LEU B 17 1.248 -7.747 -11.885 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.295 -7.063 -12.777 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.191 -9.243 -12.235 1.00 0.00 C ATOM 0 H LEU B 17 -0.362 -6.097 -9.936 1.00 0.00 H new ATOM 0 HA LEU B 17 0.130 -8.905 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.832 -6.454 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.520 -8.063 -10.172 1.00 0.00 H new ATOM 0 HG LEU B 17 0.258 -7.324 -12.056 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.044 -7.227 -13.825 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.306 -5.993 -12.570 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.279 -7.483 -12.570 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.934 -9.361 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.163 -9.698 -12.046 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.436 -9.732 -11.620 1.00 0.00 H new ATOM 583 N VAL B 18 1.082 -7.014 -7.179 1.00 0.00 N ATOM 584 CA VAL B 18 1.439 -7.055 -5.745 1.00 0.00 C ATOM 585 C VAL B 18 0.385 -7.828 -4.934 1.00 0.00 C ATOM 586 O VAL B 18 0.741 -8.638 -4.079 1.00 0.00 O ATOM 587 CB VAL B 18 1.637 -5.627 -5.172 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.703 -5.583 -3.638 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.944 -5.025 -5.712 1.00 0.00 C ATOM 0 H VAL B 18 0.830 -6.081 -7.505 1.00 0.00 H new ATOM 0 HA VAL B 18 2.388 -7.584 -5.658 1.00 0.00 H new ATOM 0 HB VAL B 18 0.764 -5.057 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.842 -4.553 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.774 -5.974 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.539 -6.191 -3.292 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.078 -4.022 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.784 -5.652 -5.414 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.899 -4.973 -6.800 1.00 0.00 H new ATOM 599 N CYS B 19 -0.902 -7.596 -5.206 1.00 0.00 N ATOM 600 CA CYS B 19 -2.009 -8.169 -4.424 1.00 0.00 C ATOM 601 C CYS B 19 -2.408 -9.591 -4.842 1.00 0.00 C ATOM 602 O CYS B 19 -2.900 -10.360 -4.011 1.00 0.00 O ATOM 603 CB CYS B 19 -3.221 -7.236 -4.531 1.00 0.00 C ATOM 604 SG CYS B 19 -2.893 -5.547 -3.963 1.00 0.00 S ATOM 0 H CYS B 19 -1.210 -7.004 -5.977 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.658 -8.253 -3.396 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.552 -7.203 -5.569 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.042 -7.653 -3.948 1.00 0.00 H new ATOM 609 N GLY B 20 -2.220 -9.941 -6.118 1.00 0.00 N ATOM 610 CA GLY B 20 -2.720 -11.180 -6.726 1.00 0.00 C ATOM 611 C GLY B 20 -4.243 -11.173 -6.890 1.00 0.00 C ATOM 612 O GLY B 20 -4.880 -10.117 -6.875 1.00 0.00 O ATOM 0 H GLY B 20 -1.703 -9.356 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.252 -11.318 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.427 -12.029 -6.109 1.00 0.00 H new ATOM 616 N GLU B 21 -4.837 -12.361 -7.020 1.00 0.00 N ATOM 617 CA GLU B 21 -6.285 -12.563 -7.198 1.00 0.00 C ATOM 618 C GLU B 21 -7.140 -12.106 -5.996 1.00 0.00 C ATOM 619 O GLU B 21 -8.367 -12.004 -6.108 1.00 0.00 O ATOM 620 CB GLU B 21 -6.564 -14.041 -7.516 1.00 0.00 C ATOM 621 CG GLU B 21 -5.964 -14.495 -8.855 1.00 0.00 C ATOM 622 CD GLU B 21 -6.303 -15.971 -9.123 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.588 -16.863 -8.604 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.279 -16.250 -9.856 1.00 0.00 O ATOM 0 H GLU B 21 -4.314 -13.236 -7.005 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.584 -11.927 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.160 -14.661 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.641 -14.205 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.351 -13.874 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.882 -14.361 -8.840 1.00 0.00 H new ATOM 631 N ARG B 22 -6.510 -11.788 -4.854 1.00 0.00 N ATOM 632 CA ARG B 22 -7.150 -11.200 -3.664 1.00 0.00 C ATOM 633 C ARG B 22 -7.851 -9.859 -3.958 1.00 0.00 C ATOM 634 O ARG B 22 -8.868 -9.552 -3.328 1.00 0.00 O ATOM 635 CB ARG B 22 -6.065 -11.050 -2.581 1.00 0.00 C ATOM 636 CG ARG B 22 -6.570 -10.457 -1.255 1.00 0.00 C ATOM 637 CD ARG B 22 -5.605 -10.725 -0.094 1.00 0.00 C ATOM 638 NE ARG B 22 -4.246 -10.201 -0.337 1.00 0.00 N ATOM 639 CZ ARG B 22 -3.651 -9.205 0.309 1.00 0.00 C ATOM 640 NH1 ARG B 22 -4.294 -8.410 1.136 1.00 0.00 N ATOM 641 NH2 ARG B 22 -2.367 -8.986 0.126 1.00 0.00 N ATOM 0 H ARG B 22 -5.509 -11.937 -4.728 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.946 -11.861 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.627 -12.029 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.267 -10.416 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.708 -9.382 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.546 -10.880 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -6.005 -10.274 0.814 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.548 -11.799 0.082 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.708 -10.651 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -5.291 -8.546 1.303 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.796 -7.657 1.611 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.834 -9.580 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.904 -8.222 0.619 1.00 0.00 H new ATOM 655 N GLY B 23 -7.337 -9.068 -4.910 1.00 0.00 N ATOM 656 CA GLY B 23 -7.892 -7.761 -5.294 1.00 0.00 C ATOM 657 C GLY B 23 -7.387 -6.591 -4.443 1.00 0.00 C ATOM 658 O GLY B 23 -6.521 -6.754 -3.581 1.00 0.00 O ATOM 0 H GLY B 23 -6.507 -9.323 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.648 -7.568 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.979 -7.805 -5.223 1.00 0.00 H new ATOM 662 N PHE B 24 -7.923 -5.398 -4.718 1.00 0.00 N ATOM 663 CA PHE B 24 -7.368 -4.113 -4.279 1.00 0.00 C ATOM 664 C PHE B 24 -8.377 -2.952 -4.393 1.00 0.00 C ATOM 665 O PHE B 24 -9.447 -3.089 -4.994 1.00 0.00 O ATOM 666 CB PHE B 24 -6.114 -3.813 -5.127 1.00 0.00 C ATOM 667 CG PHE B 24 -6.393 -3.684 -6.616 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.802 -2.452 -7.162 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.291 -4.812 -7.456 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.125 -2.350 -8.525 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.635 -4.714 -8.817 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.050 -3.484 -9.353 1.00 0.00 C ATOM 0 H PHE B 24 -8.777 -5.296 -5.266 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.116 -4.195 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.660 -2.888 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.384 -4.607 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.868 -1.580 -6.528 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.948 -5.754 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.431 -1.400 -8.937 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.580 -5.587 -9.451 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.311 -3.409 -10.398 1.00 0.00 H new ATOM 682 N PHE B 25 -7.988 -1.783 -3.868 1.00 0.00 N ATOM 683 CA PHE B 25 -8.636 -0.489 -4.102 1.00 0.00 C ATOM 684 C PHE B 25 -7.601 0.644 -4.005 1.00 0.00 C ATOM 685 O PHE B 25 -7.060 0.920 -2.933 1.00 0.00 O ATOM 686 CB PHE B 25 -9.790 -0.291 -3.107 1.00 0.00 C ATOM 687 CG PHE B 25 -10.501 1.042 -3.266 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.442 1.215 -4.298 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.197 2.118 -2.407 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.086 2.453 -4.466 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.836 3.357 -2.580 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.782 3.525 -3.607 1.00 0.00 C ATOM 0 H PHE B 25 -7.183 -1.711 -3.246 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.057 -0.469 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.512 -1.097 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.402 -0.369 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.670 0.395 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.473 1.990 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.814 2.581 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.601 4.182 -1.924 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.275 4.477 -3.736 1.00 0.00 H new ATOM 702 N TYR B 26 -7.318 1.315 -5.127 1.00 0.00 N ATOM 703 CA TYR B 26 -6.407 2.458 -5.186 1.00 0.00 C ATOM 704 C TYR B 26 -7.047 3.757 -4.663 1.00 0.00 C ATOM 705 O TYR B 26 -8.238 4.010 -4.873 1.00 0.00 O ATOM 706 CB TYR B 26 -5.901 2.620 -6.631 1.00 0.00 C ATOM 707 CG TYR B 26 -6.951 2.974 -7.673 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.263 4.325 -7.931 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.603 1.954 -8.391 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.229 4.656 -8.896 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.574 2.277 -9.360 1.00 0.00 C ATOM 712 CZ TYR B 26 -8.891 3.633 -9.616 1.00 0.00 C ATOM 713 OH TYR B 26 -9.829 3.959 -10.547 1.00 0.00 O ATOM 0 H TYR B 26 -7.723 1.074 -6.032 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.565 2.259 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.134 3.394 -6.641 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.419 1.690 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.758 5.108 -7.385 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.358 0.920 -8.199 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.467 5.692 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -9.075 1.492 -9.906 1.00 0.00 H new ATOM 0 HH TYR B 26 -10.187 3.141 -10.951 1.00 0.00 H new ATOM 723 N THR B 27 -6.243 4.610 -4.013 1.00 0.00 N ATOM 724 CA THR B 27 -6.642 5.952 -3.564 1.00 0.00 C ATOM 725 C THR B 27 -6.285 7.021 -4.608 1.00 0.00 C ATOM 726 O THR B 27 -5.223 6.919 -5.240 1.00 0.00 O ATOM 727 CB THR B 27 -6.036 6.276 -2.193 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.653 6.004 -2.211 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.688 5.426 -1.103 1.00 0.00 C ATOM 0 H THR B 27 -5.277 4.382 -3.780 1.00 0.00 H new ATOM 0 HA THR B 27 -7.726 5.959 -3.454 1.00 0.00 H new ATOM 0 HB THR B 27 -6.211 7.331 -1.980 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.455 5.276 -1.586 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.245 5.670 -0.137 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.758 5.631 -1.073 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.527 4.370 -1.320 1.00 0.00 H new ATOM 737 N PRO B 28 -7.150 8.042 -4.799 1.00 0.00 N ATOM 738 CA PRO B 28 -7.020 9.063 -5.839 1.00 0.00 C ATOM 739 C PRO B 28 -5.914 10.078 -5.511 1.00 0.00 C ATOM 740 O PRO B 28 -5.124 9.881 -4.589 1.00 0.00 O ATOM 741 CB PRO B 28 -8.417 9.696 -5.940 1.00 0.00 C ATOM 742 CG PRO B 28 -8.924 9.624 -4.504 1.00 0.00 C ATOM 743 CD PRO B 28 -8.383 8.272 -4.045 1.00 0.00 C ATOM 0 HA PRO B 28 -6.710 8.645 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.371 10.723 -6.302 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -9.062 9.146 -6.625 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.543 10.444 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.012 9.667 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.187 8.276 -2.973 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.107 7.480 -4.234 1.00 0.00 H new ATOM 751 N LYS B 29 -5.823 11.162 -6.290 1.00 0.00 N ATOM 752 CA LYS B 29 -4.778 12.188 -6.156 1.00 0.00 C ATOM 753 C LYS B 29 -4.679 12.732 -4.717 1.00 0.00 C ATOM 754 O LYS B 29 -3.619 12.623 -4.093 1.00 0.00 O ATOM 755 CB LYS B 29 -5.057 13.285 -7.204 1.00 0.00 C ATOM 756 CG LYS B 29 -3.908 14.302 -7.306 1.00 0.00 C ATOM 757 CD LYS B 29 -4.211 15.462 -8.266 1.00 0.00 C ATOM 758 CE LYS B 29 -4.374 14.987 -9.720 1.00 0.00 C ATOM 759 NZ LYS B 29 -4.624 16.128 -10.640 1.00 0.00 N ATOM 0 H LYS B 29 -6.483 11.356 -7.043 1.00 0.00 H new ATOM 0 HA LYS B 29 -3.797 11.754 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -5.216 12.822 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.978 13.806 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -3.698 14.704 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -3.006 13.789 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.123 15.967 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -3.406 16.195 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.475 14.455 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.201 14.280 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -4.729 15.774 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.495 16.620 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.823 16.790 -10.598 1.00 0.00 H new ATOM 773 N THR B 30 -5.789 13.232 -4.161 1.00 0.00 N ATOM 774 CA THR B 30 -5.913 13.719 -2.768 1.00 0.00 C ATOM 775 C THR B 30 -6.223 12.563 -1.807 1.00 0.00 C ATOM 776 O THR B 30 -5.287 12.127 -1.100 1.00 0.00 O ATOM 777 CB THR B 30 -6.971 14.824 -2.665 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.698 15.833 -3.617 1.00 0.00 O ATOM 779 CG2 THR B 30 -6.990 15.491 -1.285 1.00 0.00 C ATOM 780 OXT THR B 30 -7.370 12.063 -1.796 1.00 0.00 O ATOM 0 H THR B 30 -6.662 13.315 -4.682 1.00 0.00 H new ATOM 0 HA THR B 30 -4.955 14.147 -2.475 1.00 0.00 H new ATOM 0 HB THR B 30 -7.936 14.349 -2.842 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.376 16.537 -3.551 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.757 16.266 -1.266 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.210 14.744 -0.523 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.017 15.939 -1.084 1.00 0.00 H new TER 788 THR B 30