USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 :FLIP amide:sc= -0.0173 X(o=-2,f=-1.6) USER MOD Set 1.2: A 15 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.9) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.0438 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.136 (180deg=0) 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= -0.519 K(o=-0.52,f=-3.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.53 USER MOD Single : A 21 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.59) USER MOD Single : B 1 PHE N :NH3+ -125:sc= 1.46 (180deg=0.294) USER MOD Single : B 3 ASN : amide:sc= -2.04! C(o=-2!,f=-3.1!) USER MOD Single : B 4 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -4.92! F(o=-6.2,f=-4.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.039 USER MOD Single : B 10 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -0.993 F(o=-3.2,f=-0.99) USER MOD Single : B 26 TYR OH : rot 180:sc= -6.03! USER MOD Single : B 27 THR OG1 : rot -73:sc= 1.13 USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= -0.0723 (180deg=-0.648) USER MOD Single : B 30 THR OG1 : rot 180:sc=-0.00411 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.944 4.356 8.761 1.00 0.00 N ATOM 2 CA GLY A 1 -2.701 3.721 7.434 1.00 0.00 C ATOM 3 C GLY A 1 -1.226 3.334 7.314 1.00 0.00 C ATOM 4 O GLY A 1 -0.409 3.704 8.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.581 3.755 9.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.040 4.466 9.264 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.380 5.290 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.330 2.838 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.973 4.410 6.634 1.00 0.00 H new ATOM 10 N ILE A 2 -0.877 2.596 6.297 1.00 0.00 N ATOM 11 CA ILE A 2 0.547 2.189 6.124 1.00 0.00 C ATOM 12 C ILE A 2 1.273 3.240 5.275 1.00 0.00 C ATOM 13 O ILE A 2 2.481 3.221 5.143 1.00 0.00 O ATOM 14 CB ILE A 2 0.617 0.787 5.468 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.811 0.886 3.944 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.678 0.019 5.751 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.496 1.328 3.280 1.00 0.00 C ATOM 0 H ILE A 2 -1.516 2.257 5.578 1.00 0.00 H new ATOM 0 HA ILE A 2 1.039 2.129 7.095 1.00 0.00 H new ATOM 0 HB ILE A 2 1.472 0.264 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.604 1.598 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.124 -0.079 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.625 -0.966 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.807 -0.092 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.524 0.568 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.351 1.396 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.278 0.600 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.790 2.303 3.669 1.00 0.00 H new ATOM 29 N VAL A 3 0.541 4.154 4.699 1.00 0.00 N ATOM 30 CA VAL A 3 1.181 5.208 3.857 1.00 0.00 C ATOM 31 C VAL A 3 2.296 5.889 4.648 1.00 0.00 C ATOM 32 O VAL A 3 3.317 6.258 4.101 1.00 0.00 O ATOM 33 CB VAL A 3 0.132 6.241 3.457 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.748 7.242 2.476 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.045 5.529 2.788 1.00 0.00 C ATOM 0 H VAL A 3 -0.474 4.218 4.774 1.00 0.00 H new ATOM 0 HA VAL A 3 1.603 4.752 2.961 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.216 6.772 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.002 7.980 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.590 7.745 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.095 6.714 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.798 6.263 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.694 5.001 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.482 4.815 3.486 1.00 0.00 H new ATOM 45 N GLU A 4 2.117 6.052 5.929 1.00 0.00 N ATOM 46 CA GLU A 4 3.178 6.700 6.750 1.00 0.00 C ATOM 47 C GLU A 4 4.184 5.634 7.186 1.00 0.00 C ATOM 48 O GLU A 4 4.582 5.568 8.332 1.00 0.00 O ATOM 49 CB GLU A 4 2.551 7.355 7.984 1.00 0.00 C ATOM 50 CG GLU A 4 3.301 8.647 8.309 1.00 0.00 C ATOM 51 CD GLU A 4 3.833 8.584 9.742 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.168 7.496 10.182 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.894 9.625 10.376 1.00 0.00 O ATOM 0 H GLU A 4 1.284 5.765 6.442 1.00 0.00 H new ATOM 0 HA GLU A 4 3.683 7.467 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.498 7.569 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.594 6.673 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.126 8.787 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.637 9.504 8.194 1.00 0.00 H new ATOM 60 N GLN A 5 4.593 4.795 6.274 1.00 0.00 N ATOM 61 CA GLN A 5 5.566 3.725 6.612 1.00 0.00 C ATOM 62 C GLN A 5 6.205 3.215 5.320 1.00 0.00 C ATOM 63 O GLN A 5 7.390 2.949 5.260 1.00 0.00 O ATOM 64 CB GLN A 5 4.836 2.573 7.308 1.00 0.00 C ATOM 65 CG GLN A 5 5.833 1.753 8.125 1.00 0.00 C ATOM 66 CD GLN A 5 5.610 2.020 9.615 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.431 1.814 10.132 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 6.520 2.419 10.316 1.00 0.00 N flip ATOM 0 H GLN A 5 4.290 4.808 5.300 1.00 0.00 H new ATOM 0 HA GLN A 5 6.335 4.118 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.053 2.965 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.348 1.939 6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.709 0.691 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.853 2.017 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.442 2.580 9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.361 2.592 11.308 1.00 0.00 H new ATOM 77 N CYS A 6 5.424 3.083 4.282 1.00 0.00 N ATOM 78 CA CYS A 6 5.974 2.596 2.988 1.00 0.00 C ATOM 79 C CYS A 6 6.432 3.789 2.145 1.00 0.00 C ATOM 80 O CYS A 6 7.521 3.798 1.608 1.00 0.00 O ATOM 81 CB CYS A 6 4.893 1.822 2.234 1.00 0.00 C ATOM 82 SG CYS A 6 5.462 0.130 1.940 1.00 0.00 S ATOM 0 H CYS A 6 4.426 3.293 4.276 1.00 0.00 H new ATOM 0 HA CYS A 6 6.824 1.940 3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.968 1.812 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.672 2.313 1.286 1.00 0.00 H new ATOM 87 N CYS A 7 5.608 4.794 2.022 1.00 0.00 N ATOM 88 CA CYS A 7 6.000 5.982 1.213 1.00 0.00 C ATOM 89 C CYS A 7 7.157 6.710 1.903 1.00 0.00 C ATOM 90 O CYS A 7 8.236 6.836 1.359 1.00 0.00 O ATOM 91 CB CYS A 7 4.804 6.930 1.083 1.00 0.00 C ATOM 92 SG CYS A 7 5.344 8.480 0.323 1.00 0.00 S ATOM 0 H CYS A 7 4.682 4.843 2.446 1.00 0.00 H new ATOM 0 HA CYS A 7 6.315 5.658 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.024 6.468 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.372 7.125 2.065 1.00 0.00 H new ATOM 97 N THR A 8 6.940 7.190 3.097 1.00 0.00 N ATOM 98 CA THR A 8 8.029 7.905 3.819 1.00 0.00 C ATOM 99 C THR A 8 9.292 7.046 3.806 1.00 0.00 C ATOM 100 O THR A 8 10.302 7.416 3.238 1.00 0.00 O ATOM 101 CB THR A 8 7.601 8.163 5.266 1.00 0.00 C ATOM 102 OG1 THR A 8 6.982 6.994 5.787 1.00 0.00 O ATOM 103 CG2 THR A 8 6.610 9.327 5.309 1.00 0.00 C ATOM 0 H THR A 8 6.057 7.118 3.603 1.00 0.00 H new ATOM 0 HA THR A 8 8.229 8.857 3.327 1.00 0.00 H new ATOM 0 HB THR A 8 8.476 8.413 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.708 7.154 6.714 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.307 9.509 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.083 10.223 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.733 9.080 4.711 1.00 0.00 H new ATOM 111 N SER A 9 9.246 5.898 4.425 1.00 0.00 N ATOM 112 CA SER A 9 10.443 5.013 4.443 1.00 0.00 C ATOM 113 C SER A 9 10.116 3.702 3.717 1.00 0.00 C ATOM 114 O SER A 9 10.172 3.629 2.505 1.00 0.00 O ATOM 115 CB SER A 9 10.838 4.718 5.893 1.00 0.00 C ATOM 116 OG SER A 9 9.664 4.629 6.690 1.00 0.00 O ATOM 0 H SER A 9 8.431 5.535 4.919 1.00 0.00 H new ATOM 0 HA SER A 9 11.273 5.508 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.400 3.785 5.947 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.490 5.505 6.272 1.00 0.00 H new ATOM 0 HG SER A 9 9.913 4.439 7.619 1.00 0.00 H new ATOM 122 N ILE A 10 9.773 2.671 4.442 1.00 0.00 N ATOM 123 CA ILE A 10 9.441 1.376 3.780 1.00 0.00 C ATOM 124 C ILE A 10 8.527 0.558 4.693 1.00 0.00 C ATOM 125 O ILE A 10 8.602 0.649 5.903 1.00 0.00 O ATOM 126 CB ILE A 10 10.729 0.596 3.509 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.624 1.405 2.569 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.386 -0.744 2.858 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.878 0.598 2.233 1.00 0.00 C ATOM 0 H ILE A 10 9.708 2.669 5.460 1.00 0.00 H new ATOM 0 HA ILE A 10 8.931 1.569 2.836 1.00 0.00 H new ATOM 0 HB ILE A 10 11.253 0.419 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.082 1.650 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.902 2.349 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.303 -1.300 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.746 -1.320 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.863 -0.569 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.514 1.176 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.424 0.375 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.591 -0.334 1.746 1.00 0.00 H new ATOM 141 N CYS A 11 7.664 -0.242 4.128 1.00 0.00 N ATOM 142 CA CYS A 11 6.751 -1.064 4.972 1.00 0.00 C ATOM 143 C CYS A 11 6.757 -2.512 4.472 1.00 0.00 C ATOM 144 O CYS A 11 7.630 -2.921 3.735 1.00 0.00 O ATOM 145 CB CYS A 11 5.330 -0.487 4.905 1.00 0.00 C ATOM 146 SG CYS A 11 4.522 -0.965 3.353 1.00 0.00 S ATOM 0 H CYS A 11 7.552 -0.362 3.121 1.00 0.00 H new ATOM 0 HA CYS A 11 7.093 -1.044 6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.745 -0.846 5.752 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.368 0.600 4.982 1.00 0.00 H new ATOM 151 N SER A 12 5.784 -3.289 4.866 1.00 0.00 N ATOM 152 CA SER A 12 5.731 -4.708 4.412 1.00 0.00 C ATOM 153 C SER A 12 4.366 -4.984 3.784 1.00 0.00 C ATOM 154 O SER A 12 3.426 -4.240 3.974 1.00 0.00 O ATOM 155 CB SER A 12 5.941 -5.636 5.609 1.00 0.00 C ATOM 156 OG SER A 12 5.116 -5.208 6.684 1.00 0.00 O ATOM 0 H SER A 12 5.024 -3.002 5.483 1.00 0.00 H new ATOM 0 HA SER A 12 6.515 -4.887 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.698 -6.663 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.988 -5.626 5.912 1.00 0.00 H new ATOM 0 HG SER A 12 5.246 -5.802 7.453 1.00 0.00 H new ATOM 162 N LEU A 13 4.245 -6.046 3.035 1.00 0.00 N ATOM 163 CA LEU A 13 2.934 -6.360 2.401 1.00 0.00 C ATOM 164 C LEU A 13 1.893 -6.614 3.494 1.00 0.00 C ATOM 165 O LEU A 13 0.725 -6.321 3.331 1.00 0.00 O ATOM 166 CB LEU A 13 3.071 -7.605 1.523 1.00 0.00 C ATOM 167 CG LEU A 13 2.908 -7.212 0.054 1.00 0.00 C ATOM 168 CD1 LEU A 13 2.856 -8.471 -0.811 1.00 0.00 C ATOM 169 CD2 LEU A 13 1.609 -6.423 -0.120 1.00 0.00 C ATOM 0 H LEU A 13 4.995 -6.708 2.835 1.00 0.00 H new ATOM 0 HA LEU A 13 2.618 -5.520 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.045 -8.069 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.318 -8.343 1.799 1.00 0.00 H new ATOM 0 HG LEU A 13 3.754 -6.597 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.740 -8.189 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.780 -9.036 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.011 -9.088 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.491 -6.142 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.765 -7.040 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.644 -5.524 0.495 1.00 0.00 H new ATOM 181 N TYR A 14 2.308 -7.148 4.611 1.00 0.00 N ATOM 182 CA TYR A 14 1.341 -7.411 5.712 1.00 0.00 C ATOM 183 C TYR A 14 0.609 -6.110 6.052 1.00 0.00 C ATOM 184 O TYR A 14 -0.498 -6.120 6.550 1.00 0.00 O ATOM 185 CB TYR A 14 2.101 -7.917 6.946 1.00 0.00 C ATOM 186 CG TYR A 14 1.218 -7.813 8.167 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.108 -8.260 8.115 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.726 -7.264 9.352 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.925 -8.160 9.247 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.907 -7.166 10.484 1.00 0.00 C ATOM 191 CZ TYR A 14 -0.418 -7.613 10.431 1.00 0.00 C ATOM 192 OH TYR A 14 -1.225 -7.515 11.546 1.00 0.00 O ATOM 0 H TYR A 14 3.273 -7.413 4.807 1.00 0.00 H new ATOM 0 HA TYR A 14 0.619 -8.166 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.410 -8.952 6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.009 -7.331 7.091 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.500 -8.682 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.748 -6.917 9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.948 -8.505 9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.298 -6.745 11.398 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.718 -7.114 12.283 1.00 0.00 H new ATOM 202 N GLN A 15 1.223 -4.991 5.786 1.00 0.00 N ATOM 203 CA GLN A 15 0.569 -3.690 6.091 1.00 0.00 C ATOM 204 C GLN A 15 -0.591 -3.460 5.119 1.00 0.00 C ATOM 205 O GLN A 15 -1.659 -3.031 5.505 1.00 0.00 O ATOM 206 CB GLN A 15 1.593 -2.563 5.949 1.00 0.00 C ATOM 207 CG GLN A 15 2.345 -2.389 7.269 1.00 0.00 C ATOM 208 CD GLN A 15 1.875 -1.108 7.958 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.771 -1.044 8.462 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.673 -0.074 8.003 1.00 0.00 N ATOM 0 H GLN A 15 2.152 -4.922 5.370 1.00 0.00 H new ATOM 0 HA GLN A 15 0.185 -3.704 7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.294 -2.793 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.092 -1.634 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.169 -3.248 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.418 -2.343 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.600 -0.126 7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.369 0.785 8.461 1.00 0.00 H new ATOM 219 N LEU A 16 -0.390 -3.740 3.859 1.00 0.00 N ATOM 220 CA LEU A 16 -1.479 -3.541 2.864 1.00 0.00 C ATOM 221 C LEU A 16 -2.623 -4.513 3.154 1.00 0.00 C ATOM 222 O LEU A 16 -3.730 -4.338 2.686 1.00 0.00 O ATOM 223 CB LEU A 16 -0.940 -3.796 1.452 1.00 0.00 C ATOM 224 CG LEU A 16 0.389 -3.050 1.222 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.437 -2.553 -0.220 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.510 -1.843 2.162 1.00 0.00 C ATOM 0 H LEU A 16 0.485 -4.099 3.477 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.846 -2.517 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.790 -4.866 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.675 -3.472 0.715 1.00 0.00 H new ATOM 0 HG LEU A 16 1.211 -3.737 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.374 -2.024 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.370 -3.402 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.399 -1.877 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.456 -1.334 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.314 -1.154 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.474 -2.183 3.197 1.00 0.00 H new ATOM 238 N GLU A 17 -2.368 -5.535 3.921 1.00 0.00 N ATOM 239 CA GLU A 17 -3.449 -6.504 4.238 1.00 0.00 C ATOM 240 C GLU A 17 -4.552 -5.778 5.009 1.00 0.00 C ATOM 241 O GLU A 17 -5.683 -6.216 5.060 1.00 0.00 O ATOM 242 CB GLU A 17 -2.883 -7.642 5.089 1.00 0.00 C ATOM 243 CG GLU A 17 -2.037 -8.561 4.207 1.00 0.00 C ATOM 244 CD GLU A 17 -2.227 -10.014 4.650 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.293 -10.323 5.155 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.303 -10.792 4.473 1.00 0.00 O ATOM 0 H GLU A 17 -1.461 -5.740 4.340 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.858 -6.920 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.277 -7.238 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.695 -8.206 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.327 -8.448 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.985 -8.283 4.278 1.00 0.00 H new ATOM 253 N ASN A 18 -4.223 -4.661 5.598 1.00 0.00 N ATOM 254 CA ASN A 18 -5.243 -3.884 6.360 1.00 0.00 C ATOM 255 C ASN A 18 -6.149 -3.152 5.374 1.00 0.00 C ATOM 256 O ASN A 18 -7.299 -2.874 5.653 1.00 0.00 O ATOM 257 CB ASN A 18 -4.538 -2.862 7.255 1.00 0.00 C ATOM 258 CG ASN A 18 -3.556 -3.583 8.178 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.384 -4.783 8.082 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.898 -2.899 9.074 1.00 0.00 N ATOM 0 H ASN A 18 -3.289 -4.251 5.585 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.836 -4.559 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.009 -2.131 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.271 -2.313 7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.239 -3.371 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.042 -1.892 9.154 1.00 0.00 H new ATOM 267 N TYR A 19 -5.633 -2.834 4.220 1.00 0.00 N ATOM 268 CA TYR A 19 -6.450 -2.116 3.205 1.00 0.00 C ATOM 269 C TYR A 19 -7.365 -3.108 2.484 1.00 0.00 C ATOM 270 O TYR A 19 -8.106 -2.746 1.592 1.00 0.00 O ATOM 271 CB TYR A 19 -5.514 -1.442 2.198 1.00 0.00 C ATOM 272 CG TYR A 19 -5.130 -0.083 2.714 1.00 0.00 C ATOM 273 CD1 TYR A 19 -6.043 0.969 2.614 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.874 0.125 3.292 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.703 2.237 3.095 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.534 1.395 3.773 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.448 2.452 3.677 1.00 0.00 C ATOM 278 OH TYR A 19 -4.110 3.702 4.150 1.00 0.00 O ATOM 0 H TYR A 19 -4.676 -3.042 3.936 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.065 -1.360 3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.623 -2.052 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.006 -1.351 1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.011 0.803 2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.170 -0.690 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.409 3.051 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.564 1.560 4.219 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.204 3.677 4.523 1.00 0.00 H new ATOM 288 N CYS A 20 -7.327 -4.356 2.865 1.00 0.00 N ATOM 289 CA CYS A 20 -8.202 -5.363 2.200 1.00 0.00 C ATOM 290 C CYS A 20 -9.481 -5.545 3.020 1.00 0.00 C ATOM 291 O CYS A 20 -9.442 -5.704 4.224 1.00 0.00 O ATOM 292 CB CYS A 20 -7.462 -6.699 2.104 1.00 0.00 C ATOM 293 SG CYS A 20 -5.986 -6.498 1.073 1.00 0.00 S ATOM 0 H CYS A 20 -6.729 -4.721 3.606 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.458 -5.018 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.180 -7.043 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.116 -7.460 1.677 1.00 0.00 H new ATOM 298 N ASN A 21 -10.617 -5.522 2.377 1.00 0.00 N ATOM 299 CA ASN A 21 -11.897 -5.692 3.118 1.00 0.00 C ATOM 300 C ASN A 21 -11.970 -7.107 3.697 1.00 0.00 C ATOM 301 O ASN A 21 -12.488 -7.977 3.017 1.00 0.00 O ATOM 302 CB ASN A 21 -13.073 -5.471 2.164 1.00 0.00 C ATOM 303 CG ASN A 21 -14.371 -5.912 2.843 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.929 -6.936 2.504 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.876 -5.175 3.795 1.00 0.00 N ATOM 306 OXT ASN A 21 -11.510 -7.295 4.811 1.00 0.00 O ATOM 0 H ASN A 21 -10.713 -5.393 1.370 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.945 -4.965 3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.136 -4.419 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.921 -6.037 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.741 -5.459 4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.406 -4.315 4.078 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 7.295 -8.190 -3.676 1.00 0.00 N ATOM 315 CA PHE B 1 7.693 -8.358 -2.249 1.00 0.00 C ATOM 316 C PHE B 1 9.117 -7.832 -2.050 1.00 0.00 C ATOM 317 O PHE B 1 10.031 -8.579 -1.768 1.00 0.00 O ATOM 318 CB PHE B 1 7.641 -9.840 -1.867 1.00 0.00 C ATOM 319 CG PHE B 1 7.959 -10.691 -3.075 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.292 -10.928 -3.432 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.921 -11.244 -3.834 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.587 -11.720 -4.550 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.215 -12.034 -4.951 1.00 0.00 C ATOM 324 CZ PHE B 1 8.548 -12.272 -5.309 1.00 0.00 C ATOM 0 H1 PHE B 1 6.408 -7.649 -3.728 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.043 -7.679 -4.187 1.00 0.00 H new ATOM 0 H3 PHE B 1 7.156 -9.125 -4.110 1.00 0.00 H new ATOM 0 HA PHE B 1 7.004 -7.798 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.354 -10.045 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.652 -10.092 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.092 -10.501 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.893 -11.061 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.615 -11.904 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.414 -12.460 -5.537 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.775 -12.882 -6.171 1.00 0.00 H new ATOM 336 N VAL B 2 9.311 -6.550 -2.199 1.00 0.00 N ATOM 337 CA VAL B 2 10.675 -5.977 -2.020 1.00 0.00 C ATOM 338 C VAL B 2 10.609 -4.785 -1.061 1.00 0.00 C ATOM 339 O VAL B 2 9.632 -4.066 -1.017 1.00 0.00 O ATOM 340 CB VAL B 2 11.217 -5.514 -3.373 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.697 -5.162 -3.240 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.052 -6.640 -4.398 1.00 0.00 C ATOM 0 H VAL B 2 8.584 -5.875 -2.437 1.00 0.00 H new ATOM 0 HA VAL B 2 11.335 -6.739 -1.606 1.00 0.00 H new ATOM 0 HB VAL B 2 10.665 -4.634 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.081 -4.832 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.816 -4.362 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.252 -6.040 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.438 -6.313 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.605 -7.519 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.996 -6.891 -4.495 1.00 0.00 H new ATOM 352 N ASN B 3 11.643 -4.573 -0.296 1.00 0.00 N ATOM 353 CA ASN B 3 11.643 -3.429 0.659 1.00 0.00 C ATOM 354 C ASN B 3 11.925 -2.131 -0.100 1.00 0.00 C ATOM 355 O ASN B 3 13.030 -1.625 -0.095 1.00 0.00 O ATOM 356 CB ASN B 3 12.730 -3.647 1.713 1.00 0.00 C ATOM 357 CG ASN B 3 14.082 -3.827 1.019 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.389 -4.894 0.527 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.908 -2.819 0.957 1.00 0.00 N ATOM 0 H ASN B 3 12.489 -5.143 -0.290 1.00 0.00 H new ATOM 0 HA ASN B 3 10.670 -3.362 1.146 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.768 -2.796 2.393 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.498 -4.526 2.315 1.00 0.00 H new ATOM 0 HD21 ASN B 3 15.811 -2.927 0.495 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.651 -1.923 1.370 1.00 0.00 H new ATOM 366 N GLN B 4 10.936 -1.585 -0.754 1.00 0.00 N ATOM 367 CA GLN B 4 11.153 -0.321 -1.510 1.00 0.00 C ATOM 368 C GLN B 4 10.285 0.788 -0.910 1.00 0.00 C ATOM 369 O GLN B 4 9.823 0.691 0.210 1.00 0.00 O ATOM 370 CB GLN B 4 10.766 -0.530 -2.975 1.00 0.00 C ATOM 371 CG GLN B 4 11.372 -1.839 -3.482 1.00 0.00 C ATOM 372 CD GLN B 4 12.549 -1.530 -4.408 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.668 -1.927 -4.143 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.346 -0.835 -5.494 1.00 0.00 N ATOM 0 H GLN B 4 9.988 -1.960 -0.797 1.00 0.00 H new ATOM 0 HA GLN B 4 12.203 -0.037 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.681 -0.557 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.121 0.305 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.706 -2.447 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.618 -2.419 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.409 -0.501 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.125 -0.626 -6.119 1.00 0.00 H new ATOM 383 N HIS B 5 10.060 1.840 -1.648 1.00 0.00 N ATOM 384 CA HIS B 5 9.223 2.954 -1.121 1.00 0.00 C ATOM 385 C HIS B 5 7.944 3.065 -1.952 1.00 0.00 C ATOM 386 O HIS B 5 7.987 3.214 -3.158 1.00 0.00 O ATOM 387 CB HIS B 5 10.005 4.265 -1.207 1.00 0.00 C ATOM 388 CG HIS B 5 11.179 4.209 -0.271 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.603 5.055 0.723 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 12.094 3.167 -0.296 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.761 4.550 1.308 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 13.014 3.410 0.656 1.00 0.00 N flip ATOM 0 H HIS B 5 10.419 1.976 -2.593 1.00 0.00 H new ATOM 0 HA HIS B 5 8.964 2.755 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.348 4.430 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.359 5.104 -0.948 1.00 0.00 H new ATOM 0 HD1 HIS B 5 11.140 5.923 0.992 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.072 2.315 -0.959 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.332 4.985 2.115 1.00 0.00 H new ATOM 400 N LEU B 6 6.806 2.994 -1.321 1.00 0.00 N ATOM 401 CA LEU B 6 5.526 3.096 -2.076 1.00 0.00 C ATOM 402 C LEU B 6 4.948 4.502 -1.913 1.00 0.00 C ATOM 403 O LEU B 6 4.016 4.720 -1.166 1.00 0.00 O ATOM 404 CB LEU B 6 4.530 2.068 -1.538 1.00 0.00 C ATOM 405 CG LEU B 6 5.142 0.668 -1.635 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.233 -0.335 -0.924 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.281 0.277 -3.109 1.00 0.00 C ATOM 0 H LEU B 6 6.706 2.870 -0.314 1.00 0.00 H new ATOM 0 HA LEU B 6 5.712 2.900 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.279 2.296 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.602 2.112 -2.108 1.00 0.00 H new ATOM 0 HG LEU B 6 6.124 0.665 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.668 -1.332 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.132 -0.055 0.124 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.251 -0.334 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.717 -0.720 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.298 0.279 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.927 0.993 -3.616 1.00 0.00 H new ATOM 419 N CYS B 7 5.498 5.461 -2.609 1.00 0.00 N ATOM 420 CA CYS B 7 4.985 6.854 -2.497 1.00 0.00 C ATOM 421 C CYS B 7 4.055 7.153 -3.674 1.00 0.00 C ATOM 422 O CYS B 7 4.154 6.548 -4.725 1.00 0.00 O ATOM 423 CB CYS B 7 6.161 7.832 -2.516 1.00 0.00 C ATOM 424 SG CYS B 7 6.887 7.937 -0.863 1.00 0.00 S ATOM 0 H CYS B 7 6.281 5.338 -3.251 1.00 0.00 H new ATOM 0 HA CYS B 7 4.434 6.964 -1.563 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.911 7.501 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.823 8.817 -2.839 1.00 0.00 H new ATOM 429 N GLY B 8 3.150 8.079 -3.511 1.00 0.00 N ATOM 430 CA GLY B 8 2.216 8.413 -4.622 1.00 0.00 C ATOM 431 C GLY B 8 1.177 7.299 -4.768 1.00 0.00 C ATOM 432 O GLY B 8 0.720 6.733 -3.796 1.00 0.00 O ATOM 0 H GLY B 8 3.017 8.619 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.720 9.363 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.770 8.533 -5.553 1.00 0.00 H new ATOM 436 N SER B 9 0.804 6.979 -5.977 1.00 0.00 N ATOM 437 CA SER B 9 -0.202 5.900 -6.183 1.00 0.00 C ATOM 438 C SER B 9 0.510 4.548 -6.264 1.00 0.00 C ATOM 439 O SER B 9 -0.112 3.505 -6.255 1.00 0.00 O ATOM 440 CB SER B 9 -0.962 6.154 -7.485 1.00 0.00 C ATOM 441 OG SER B 9 -0.630 7.446 -7.977 1.00 0.00 O ATOM 0 H SER B 9 1.152 7.418 -6.830 1.00 0.00 H new ATOM 0 HA SER B 9 -0.903 5.892 -5.348 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.706 5.394 -8.223 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.036 6.082 -7.313 1.00 0.00 H new ATOM 0 HG SER B 9 -1.114 7.612 -8.813 1.00 0.00 H new ATOM 447 N HIS B 10 1.815 4.560 -6.341 1.00 0.00 N ATOM 448 CA HIS B 10 2.568 3.277 -6.422 1.00 0.00 C ATOM 449 C HIS B 10 2.123 2.352 -5.287 1.00 0.00 C ATOM 450 O HIS B 10 1.994 1.156 -5.464 1.00 0.00 O ATOM 451 CB HIS B 10 4.066 3.558 -6.293 1.00 0.00 C ATOM 452 CG HIS B 10 4.470 4.605 -7.296 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.717 4.873 -8.430 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.545 5.456 -7.351 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.344 5.848 -9.110 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.465 6.240 -8.497 1.00 0.00 N ATOM 0 H HIS B 10 2.390 5.402 -6.351 1.00 0.00 H new ATOM 0 HA HIS B 10 2.369 2.798 -7.380 1.00 0.00 H new ATOM 0 HB2 HIS B 10 4.297 3.898 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.634 2.642 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.334 5.509 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.985 6.264 -10.040 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.120 6.959 -8.803 1.00 0.00 H new ATOM 464 N LEU B 11 1.888 2.893 -4.122 1.00 0.00 N ATOM 465 CA LEU B 11 1.455 2.041 -2.981 1.00 0.00 C ATOM 466 C LEU B 11 0.075 1.454 -3.275 1.00 0.00 C ATOM 467 O LEU B 11 -0.211 0.321 -2.938 1.00 0.00 O ATOM 468 CB LEU B 11 1.390 2.880 -1.704 1.00 0.00 C ATOM 469 CG LEU B 11 1.405 1.955 -0.486 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.137 2.645 0.668 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.035 1.640 -0.071 1.00 0.00 C ATOM 0 H LEU B 11 1.977 3.887 -3.913 1.00 0.00 H new ATOM 0 HA LEU B 11 2.173 1.232 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.236 3.566 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.486 3.488 -1.701 1.00 0.00 H new ATOM 0 HG LEU B 11 1.920 1.027 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.148 1.987 1.537 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.161 2.868 0.368 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.623 3.572 0.922 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.028 0.981 0.797 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.552 2.566 0.181 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.552 1.149 -0.895 1.00 0.00 H new ATOM 483 N VAL B 12 -0.785 2.206 -3.904 1.00 0.00 N ATOM 484 CA VAL B 12 -2.139 1.672 -4.220 1.00 0.00 C ATOM 485 C VAL B 12 -1.990 0.499 -5.190 1.00 0.00 C ATOM 486 O VAL B 12 -2.798 -0.406 -5.214 1.00 0.00 O ATOM 487 CB VAL B 12 -2.993 2.765 -4.863 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.326 2.166 -5.313 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.251 3.872 -3.842 1.00 0.00 C ATOM 0 H VAL B 12 -0.610 3.163 -4.212 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.626 1.339 -3.304 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.470 3.180 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.938 2.943 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.142 1.373 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.850 1.754 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.860 4.653 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.777 3.458 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.301 4.296 -3.517 1.00 0.00 H new ATOM 499 N GLU B 13 -0.955 0.507 -5.984 1.00 0.00 N ATOM 500 CA GLU B 13 -0.745 -0.611 -6.945 1.00 0.00 C ATOM 501 C GLU B 13 -0.457 -1.889 -6.159 1.00 0.00 C ATOM 502 O GLU B 13 -0.702 -2.986 -6.622 1.00 0.00 O ATOM 503 CB GLU B 13 0.441 -0.289 -7.858 1.00 0.00 C ATOM 504 CG GLU B 13 0.052 0.841 -8.814 1.00 0.00 C ATOM 505 CD GLU B 13 0.306 0.399 -10.258 1.00 0.00 C ATOM 506 OE1 GLU B 13 -0.010 -0.738 -10.571 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.809 1.203 -11.023 1.00 0.00 O ATOM 0 H GLU B 13 -0.246 1.240 -6.009 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.637 -0.746 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.304 0.005 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.731 -1.175 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.999 1.099 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.631 1.737 -8.590 1.00 0.00 H new ATOM 514 N ALA B 14 0.051 -1.751 -4.966 1.00 0.00 N ATOM 515 CA ALA B 14 0.345 -2.951 -4.133 1.00 0.00 C ATOM 516 C ALA B 14 -0.826 -3.189 -3.181 1.00 0.00 C ATOM 517 O ALA B 14 -0.959 -4.245 -2.594 1.00 0.00 O ATOM 518 CB ALA B 14 1.624 -2.714 -3.325 1.00 0.00 C ATOM 0 H ALA B 14 0.276 -0.856 -4.531 1.00 0.00 H new ATOM 0 HA ALA B 14 0.484 -3.822 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.838 -3.592 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.456 -2.533 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.490 -1.848 -2.677 1.00 0.00 H new ATOM 524 N LEU B 15 -1.679 -2.213 -3.026 1.00 0.00 N ATOM 525 CA LEU B 15 -2.845 -2.376 -2.113 1.00 0.00 C ATOM 526 C LEU B 15 -3.938 -3.181 -2.819 1.00 0.00 C ATOM 527 O LEU B 15 -4.515 -4.091 -2.256 1.00 0.00 O ATOM 528 CB LEU B 15 -3.393 -0.997 -1.741 1.00 0.00 C ATOM 529 CG LEU B 15 -2.507 -0.369 -0.666 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.075 0.992 -0.266 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.472 -1.278 0.561 1.00 0.00 C ATOM 0 H LEU B 15 -1.618 -1.308 -3.493 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.530 -2.902 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.423 -0.356 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.416 -1.087 -1.377 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.498 -0.244 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.442 1.439 0.501 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.104 1.645 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.084 0.864 0.125 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.840 -0.830 1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.482 -1.402 0.951 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.069 -2.251 0.281 1.00 0.00 H new ATOM 543 N HIS B 16 -4.227 -2.851 -4.048 1.00 0.00 N ATOM 544 CA HIS B 16 -5.283 -3.589 -4.793 1.00 0.00 C ATOM 545 C HIS B 16 -4.762 -4.981 -5.170 1.00 0.00 C ATOM 546 O HIS B 16 -5.522 -5.878 -5.477 1.00 0.00 O ATOM 547 CB HIS B 16 -5.653 -2.802 -6.058 1.00 0.00 C ATOM 548 CG HIS B 16 -4.671 -3.089 -7.162 1.00 0.00 C ATOM 549 ND1 HIS B 16 -3.326 -2.851 -7.273 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -5.045 -3.705 -8.346 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -2.867 -3.309 -8.505 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -3.945 -3.815 -9.112 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.775 -2.099 -4.569 1.00 0.00 H new ATOM 0 HA HIS B 16 -6.170 -3.700 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -6.659 -3.070 -6.379 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.662 -1.734 -5.840 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -6.039 -4.037 -8.606 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -1.858 -3.265 -8.888 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -3.935 -4.233 -10.042 1.00 0.00 H new ATOM 560 N LEU B 17 -3.471 -5.161 -5.154 1.00 0.00 N ATOM 561 CA LEU B 17 -2.895 -6.485 -5.514 1.00 0.00 C ATOM 562 C LEU B 17 -2.968 -7.424 -4.307 1.00 0.00 C ATOM 563 O LEU B 17 -3.011 -8.630 -4.448 1.00 0.00 O ATOM 564 CB LEU B 17 -1.433 -6.306 -5.930 1.00 0.00 C ATOM 565 CG LEU B 17 -0.862 -7.648 -6.385 1.00 0.00 C ATOM 566 CD1 LEU B 17 -1.689 -8.184 -7.553 1.00 0.00 C ATOM 567 CD2 LEU B 17 0.588 -7.456 -6.832 1.00 0.00 C ATOM 0 H LEU B 17 -2.788 -4.445 -4.906 1.00 0.00 H new ATOM 0 HA LEU B 17 -3.462 -6.914 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.361 -5.576 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.852 -5.916 -5.094 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.898 -8.359 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.282 -9.141 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -2.723 -8.318 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -1.653 -7.475 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.998 -8.412 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.623 -6.746 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.178 -7.073 -5.999 1.00 0.00 H new ATOM 579 N VAL B 18 -2.979 -6.879 -3.122 1.00 0.00 N ATOM 580 CA VAL B 18 -3.046 -7.738 -1.906 1.00 0.00 C ATOM 581 C VAL B 18 -4.497 -8.136 -1.633 1.00 0.00 C ATOM 582 O VAL B 18 -4.770 -9.173 -1.063 1.00 0.00 O ATOM 583 CB VAL B 18 -2.503 -6.957 -0.708 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.565 -7.832 0.546 1.00 0.00 C ATOM 585 CG2 VAL B 18 -1.052 -6.560 -0.982 1.00 0.00 C ATOM 0 H VAL B 18 -2.944 -5.875 -2.943 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.449 -8.636 -2.064 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.105 -6.062 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.178 -7.274 1.399 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.599 -8.118 0.739 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.963 -8.728 0.395 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.660 -6.003 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.452 -7.457 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.008 -5.937 -1.875 1.00 0.00 H new ATOM 595 N CYS B 19 -5.431 -7.316 -2.031 1.00 0.00 N ATOM 596 CA CYS B 19 -6.862 -7.644 -1.790 1.00 0.00 C ATOM 597 C CYS B 19 -7.454 -8.292 -3.042 1.00 0.00 C ATOM 598 O CYS B 19 -8.428 -9.016 -2.979 1.00 0.00 O ATOM 599 CB CYS B 19 -7.622 -6.358 -1.469 1.00 0.00 C ATOM 600 SG CYS B 19 -6.593 -5.293 -0.429 1.00 0.00 S ATOM 0 H CYS B 19 -5.263 -6.433 -2.513 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.946 -8.337 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.886 -5.839 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.555 -6.593 -0.957 1.00 0.00 H new ATOM 605 N GLY B 20 -6.874 -8.035 -4.181 1.00 0.00 N ATOM 606 CA GLY B 20 -7.398 -8.634 -5.439 1.00 0.00 C ATOM 607 C GLY B 20 -8.837 -8.167 -5.666 1.00 0.00 C ATOM 608 O GLY B 20 -9.107 -6.986 -5.772 1.00 0.00 O ATOM 0 H GLY B 20 -6.058 -7.434 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.772 -8.341 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.363 -9.722 -5.379 1.00 0.00 H new ATOM 612 N GLU B 21 -9.762 -9.083 -5.749 1.00 0.00 N ATOM 613 CA GLU B 21 -11.181 -8.693 -5.974 1.00 0.00 C ATOM 614 C GLU B 21 -11.758 -8.092 -4.689 1.00 0.00 C ATOM 615 O GLU B 21 -12.621 -7.239 -4.726 1.00 0.00 O ATOM 616 CB GLU B 21 -11.990 -9.930 -6.367 1.00 0.00 C ATOM 617 CG GLU B 21 -12.589 -9.727 -7.760 1.00 0.00 C ATOM 618 CD GLU B 21 -13.665 -10.786 -8.011 1.00 0.00 C ATOM 619 OE1 GLU B 21 -14.155 -11.345 -7.043 1.00 0.00 O ATOM 620 OE2 GLU B 21 -13.982 -11.019 -9.167 1.00 0.00 O ATOM 0 H GLU B 21 -9.595 -10.086 -5.670 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.233 -7.954 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -11.351 -10.813 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.783 -10.105 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -13.020 -8.729 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -11.809 -9.799 -8.517 1.00 0.00 H new ATOM 627 N ARG B 22 -11.291 -8.533 -3.555 1.00 0.00 N ATOM 628 CA ARG B 22 -11.816 -7.988 -2.270 1.00 0.00 C ATOM 629 C ARG B 22 -11.796 -6.458 -2.316 1.00 0.00 C ATOM 630 O ARG B 22 -12.527 -5.797 -1.606 1.00 0.00 O ATOM 631 CB ARG B 22 -10.942 -8.475 -1.113 1.00 0.00 C ATOM 632 CG ARG B 22 -11.129 -9.984 -0.934 1.00 0.00 C ATOM 633 CD ARG B 22 -9.882 -10.577 -0.278 1.00 0.00 C ATOM 634 NE ARG B 22 -10.291 -11.499 0.820 1.00 0.00 N ATOM 635 CZ ARG B 22 -9.427 -12.333 1.334 1.00 0.00 C ATOM 636 NH1 ARG B 22 -8.200 -12.362 0.890 1.00 0.00 N ATOM 637 NH2 ARG B 22 -9.792 -13.141 2.291 1.00 0.00 N ATOM 0 H ARG B 22 -10.569 -9.247 -3.461 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.839 -8.333 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.895 -8.249 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.211 -7.953 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.006 -10.182 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.305 -10.457 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.289 -11.115 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.252 -9.780 0.117 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.249 -11.478 1.171 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.914 -11.733 0.140 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.527 -13.014 1.293 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.751 -13.121 2.637 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -9.118 -13.793 2.693 1.00 0.00 H new ATOM 651 N GLY B 23 -10.964 -5.889 -3.145 1.00 0.00 N ATOM 652 CA GLY B 23 -10.898 -4.402 -3.233 1.00 0.00 C ATOM 653 C GLY B 23 -10.171 -3.850 -2.007 1.00 0.00 C ATOM 654 O GLY B 23 -9.643 -4.589 -1.200 1.00 0.00 O ATOM 0 H GLY B 23 -10.327 -6.389 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.377 -4.104 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.904 -3.986 -3.291 1.00 0.00 H new ATOM 658 N PHE B 24 -10.134 -2.553 -1.859 1.00 0.00 N ATOM 659 CA PHE B 24 -9.438 -1.956 -0.683 1.00 0.00 C ATOM 660 C PHE B 24 -9.841 -0.487 -0.544 1.00 0.00 C ATOM 661 O PHE B 24 -9.895 0.248 -1.509 1.00 0.00 O ATOM 662 CB PHE B 24 -7.924 -2.061 -0.887 1.00 0.00 C ATOM 663 CG PHE B 24 -7.524 -1.309 -2.126 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.840 -1.833 -3.377 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.835 -0.095 -2.026 1.00 0.00 C ATOM 666 CE1 PHE B 24 -7.472 -1.146 -4.539 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.466 0.597 -3.186 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.783 0.070 -4.443 1.00 0.00 C ATOM 0 H PHE B 24 -10.555 -1.882 -2.501 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.720 -2.492 0.223 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.402 -1.656 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.631 -3.107 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.370 -2.771 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.588 0.308 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.719 -1.553 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.938 1.536 -3.111 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.497 0.601 -5.339 1.00 0.00 H new ATOM 678 N PHE B 25 -10.125 -0.053 0.655 1.00 0.00 N ATOM 679 CA PHE B 25 -10.527 1.369 0.855 1.00 0.00 C ATOM 680 C PHE B 25 -9.286 2.202 1.188 1.00 0.00 C ATOM 681 O PHE B 25 -8.945 2.402 2.335 1.00 0.00 O ATOM 682 CB PHE B 25 -11.556 1.476 1.991 1.00 0.00 C ATOM 683 CG PHE B 25 -11.045 0.794 3.242 1.00 0.00 C ATOM 684 CD1 PHE B 25 -11.223 -0.585 3.414 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.405 1.545 4.238 1.00 0.00 C ATOM 686 CE1 PHE B 25 -10.757 -1.212 4.576 1.00 0.00 C ATOM 687 CE2 PHE B 25 -9.942 0.917 5.399 1.00 0.00 C ATOM 688 CZ PHE B 25 -10.117 -0.461 5.568 1.00 0.00 C ATOM 0 H PHE B 25 -10.096 -0.620 1.502 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.983 1.747 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.764 2.525 2.202 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.496 1.020 1.681 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.720 -1.165 2.650 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.269 2.609 4.109 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.892 -2.276 4.707 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.449 1.496 6.166 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.758 -0.945 6.464 1.00 0.00 H new ATOM 698 N TYR B 26 -8.606 2.688 0.185 1.00 0.00 N ATOM 699 CA TYR B 26 -7.386 3.503 0.437 1.00 0.00 C ATOM 700 C TYR B 26 -7.784 4.875 0.987 1.00 0.00 C ATOM 701 O TYR B 26 -8.950 5.213 1.052 1.00 0.00 O ATOM 702 CB TYR B 26 -6.617 3.689 -0.871 1.00 0.00 C ATOM 703 CG TYR B 26 -5.185 4.051 -0.566 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.471 3.327 0.395 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.571 5.110 -1.245 1.00 0.00 C ATOM 706 CE1 TYR B 26 -3.141 3.660 0.678 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.241 5.445 -0.961 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.526 4.719 -0.002 1.00 0.00 C ATOM 709 OH TYR B 26 -1.215 5.048 0.275 1.00 0.00 O ATOM 0 H TYR B 26 -8.844 2.555 -0.798 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.757 2.989 1.164 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.654 2.773 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.082 4.472 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.946 2.511 0.919 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.122 5.668 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.590 3.101 1.420 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.767 6.264 -1.482 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.942 5.805 -0.285 1.00 0.00 H new ATOM 719 N THR B 27 -6.824 5.667 1.377 1.00 0.00 N ATOM 720 CA THR B 27 -7.145 7.016 1.917 1.00 0.00 C ATOM 721 C THR B 27 -6.228 8.058 1.269 1.00 0.00 C ATOM 722 O THR B 27 -5.494 8.746 1.951 1.00 0.00 O ATOM 723 CB THR B 27 -6.930 7.023 3.432 1.00 0.00 C ATOM 724 OG1 THR B 27 -6.868 8.365 3.895 1.00 0.00 O ATOM 725 CG2 THR B 27 -5.622 6.305 3.768 1.00 0.00 C ATOM 0 H THR B 27 -5.831 5.437 1.345 1.00 0.00 H new ATOM 0 HA THR B 27 -8.184 7.257 1.695 1.00 0.00 H new ATOM 0 HB THR B 27 -7.759 6.509 3.918 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.015 8.765 3.624 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.471 6.311 4.847 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.671 5.275 3.414 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.791 6.816 3.282 1.00 0.00 H new ATOM 733 N PRO B 28 -6.301 8.142 -0.036 1.00 0.00 N ATOM 734 CA PRO B 28 -5.495 9.089 -0.836 1.00 0.00 C ATOM 735 C PRO B 28 -5.922 10.525 -0.525 1.00 0.00 C ATOM 736 O PRO B 28 -7.095 10.833 -0.457 1.00 0.00 O ATOM 737 CB PRO B 28 -5.787 8.758 -2.302 1.00 0.00 C ATOM 738 CG PRO B 28 -6.903 7.697 -2.323 1.00 0.00 C ATOM 739 CD PRO B 28 -7.193 7.304 -0.868 1.00 0.00 C ATOM 0 HA PRO B 28 -4.432 9.003 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.098 9.652 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.891 8.382 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.800 8.093 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.593 6.826 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.239 7.479 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.999 6.244 -0.704 1.00 0.00 H new ATOM 747 N LYS B 29 -4.980 11.406 -0.334 1.00 0.00 N ATOM 748 CA LYS B 29 -5.332 12.820 -0.028 1.00 0.00 C ATOM 749 C LYS B 29 -4.877 13.723 -1.176 1.00 0.00 C ATOM 750 O LYS B 29 -3.702 13.968 -1.356 1.00 0.00 O ATOM 751 CB LYS B 29 -4.638 13.248 1.266 1.00 0.00 C ATOM 752 CG LYS B 29 -4.808 14.757 1.461 1.00 0.00 C ATOM 753 CD LYS B 29 -6.287 15.126 1.326 1.00 0.00 C ATOM 754 CE LYS B 29 -6.445 16.644 1.446 1.00 0.00 C ATOM 755 NZ LYS B 29 -5.929 17.094 2.769 1.00 0.00 N ATOM 0 H LYS B 29 -3.980 11.207 -0.377 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.412 12.907 0.092 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -5.063 12.711 2.114 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -3.579 12.993 1.225 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -4.437 15.052 2.443 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.218 15.299 0.722 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -6.672 14.784 0.365 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.870 14.626 2.100 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -5.901 17.142 0.643 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.494 16.921 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -6.287 18.049 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -6.250 16.437 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.889 17.111 2.749 1.00 0.00 H new ATOM 769 N THR B 30 -5.800 14.220 -1.953 1.00 0.00 N ATOM 770 CA THR B 30 -5.420 15.107 -3.088 1.00 0.00 C ATOM 771 C THR B 30 -6.515 16.152 -3.307 1.00 0.00 C ATOM 772 O THR B 30 -6.229 17.162 -3.930 1.00 0.00 O ATOM 773 CB THR B 30 -5.251 14.272 -4.359 1.00 0.00 C ATOM 774 OG1 THR B 30 -5.466 12.901 -4.053 1.00 0.00 O ATOM 775 CG2 THR B 30 -3.839 14.458 -4.912 1.00 0.00 C ATOM 776 OXT THR B 30 -7.624 15.925 -2.849 1.00 0.00 O ATOM 0 H THR B 30 -6.801 14.050 -1.851 1.00 0.00 H new ATOM 0 HA THR B 30 -4.480 15.607 -2.856 1.00 0.00 H new ATOM 0 HB THR B 30 -5.975 14.597 -5.106 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.360 12.364 -4.866 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.721 13.862 -5.817 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.676 15.510 -5.146 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.111 14.135 -4.168 1.00 0.00 H new TER 784 THR B 30