USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 MET CE :methyl 151:sc= -0.293 (180deg=-2.07!) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.02) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.786 USER MOD Single : A 41 GLN : amide:sc= -13.8! C(o=-14!,f=-18!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.122) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 134:sc= -0.682 (180deg=-2.58!) USER MOD Single : A 70 SER OG : rot -170:sc= -0.179 USER MOD Single : A 71 SER OG : rot -69:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 16 -0.394 3.435 -12.005 1.00 0.00 N ATOM 39 CA LEU A 16 1.032 3.715 -12.076 1.00 0.00 C ATOM 40 C LEU A 16 1.756 2.649 -12.893 1.00 0.00 C ATOM 41 O LEU A 16 1.150 1.677 -13.346 1.00 0.00 O ATOM 42 CB LEU A 16 1.625 3.761 -10.668 1.00 0.00 C ATOM 43 CG LEU A 16 1.465 5.158 -10.056 1.00 0.00 C ATOM 44 CD1 LEU A 16 2.029 5.152 -8.643 1.00 0.00 C ATOM 45 CD2 LEU A 16 2.247 6.196 -10.861 1.00 0.00 C ATOM 0 HA LEU A 16 1.164 4.681 -12.563 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.131 3.023 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.681 3.493 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 16 0.405 5.411 -10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.918 6.143 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.488 4.424 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.085 4.885 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.119 7.179 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.305 5.933 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.876 6.217 -11.886 1.00 0.00 H new ATOM 57 N THR A 17 3.056 2.849 -13.084 1.00 0.00 N ATOM 58 CA THR A 17 3.861 1.909 -13.855 1.00 0.00 C ATOM 59 C THR A 17 3.993 0.584 -13.114 1.00 0.00 C ATOM 60 O THR A 17 3.167 0.252 -12.262 1.00 0.00 O ATOM 61 CB THR A 17 5.253 2.496 -14.116 1.00 0.00 C ATOM 62 OG1 THR A 17 5.913 2.723 -12.878 1.00 0.00 O ATOM 63 CG2 THR A 17 5.118 3.816 -14.877 1.00 0.00 C ATOM 0 H THR A 17 3.572 3.649 -12.718 1.00 0.00 H new ATOM 0 HA THR A 17 3.362 1.731 -14.808 1.00 0.00 H new ATOM 0 HB THR A 17 5.836 1.794 -14.712 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.803 3.097 -13.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.108 4.232 -15.062 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.616 3.638 -15.828 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.534 4.520 -14.284 1.00 0.00 H new ATOM 71 N GLN A 18 5.032 -0.170 -13.447 1.00 0.00 N ATOM 72 CA GLN A 18 5.259 -1.458 -12.812 1.00 0.00 C ATOM 73 C GLN A 18 5.430 -1.283 -11.308 1.00 0.00 C ATOM 74 O GLN A 18 5.115 -2.184 -10.531 1.00 0.00 O ATOM 75 CB GLN A 18 6.508 -2.118 -13.398 1.00 0.00 C ATOM 76 CG GLN A 18 7.727 -1.230 -13.137 1.00 0.00 C ATOM 77 CD GLN A 18 8.986 -1.896 -13.682 1.00 0.00 C ATOM 78 OE1 GLN A 18 9.062 -3.123 -13.748 1.00 0.00 O ATOM 79 NE2 GLN A 18 9.989 -1.156 -14.071 1.00 0.00 N ATOM 0 H GLN A 18 5.726 0.087 -14.149 1.00 0.00 H new ATOM 0 HA GLN A 18 4.394 -2.095 -12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.658 -3.100 -12.949 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.381 -2.273 -14.469 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.587 -0.258 -13.610 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.834 -1.052 -12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.924 -0.140 -14.016 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.837 -1.594 -14.430 1.00 0.00 H new ATOM 88 N GLY A 19 5.933 -0.119 -10.901 1.00 0.00 N ATOM 89 CA GLY A 19 6.139 0.148 -9.487 1.00 0.00 C ATOM 90 C GLY A 19 6.611 1.580 -9.262 1.00 0.00 C ATOM 91 O GLY A 19 7.594 1.812 -8.566 1.00 0.00 O ATOM 0 H GLY A 19 6.201 0.643 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.210 -0.022 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.875 -0.548 -9.086 1.00 0.00 H new ATOM 95 N GLU A 20 5.906 2.536 -9.856 1.00 0.00 N ATOM 96 CA GLU A 20 6.260 3.940 -9.717 1.00 0.00 C ATOM 97 C GLU A 20 6.197 4.379 -8.261 1.00 0.00 C ATOM 98 O GLU A 20 6.813 5.373 -7.879 1.00 0.00 O ATOM 99 CB GLU A 20 5.311 4.795 -10.552 1.00 0.00 C ATOM 100 CG GLU A 20 6.130 5.708 -11.457 1.00 0.00 C ATOM 101 CD GLU A 20 5.208 6.612 -12.265 1.00 0.00 C ATOM 102 OE1 GLU A 20 4.583 6.115 -13.188 1.00 0.00 O ATOM 103 OE2 GLU A 20 5.137 7.787 -11.948 1.00 0.00 O ATOM 0 H GLU A 20 5.086 2.363 -10.438 1.00 0.00 H new ATOM 0 HA GLU A 20 7.283 4.071 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.659 4.159 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.668 5.388 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.810 6.313 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.745 5.109 -12.129 1.00 0.00 H new ATOM 110 N LEU A 21 5.449 3.641 -7.451 1.00 0.00 N ATOM 111 CA LEU A 21 5.326 3.975 -6.040 1.00 0.00 C ATOM 112 C LEU A 21 6.006 2.915 -5.167 1.00 0.00 C ATOM 113 O LEU A 21 6.378 3.187 -4.023 1.00 0.00 O ATOM 114 CB LEU A 21 3.846 4.107 -5.653 1.00 0.00 C ATOM 115 CG LEU A 21 3.183 2.723 -5.625 1.00 0.00 C ATOM 116 CD1 LEU A 21 2.965 2.260 -4.180 1.00 0.00 C ATOM 117 CD2 LEU A 21 1.826 2.793 -6.318 1.00 0.00 C ATOM 0 H LEU A 21 4.924 2.817 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 21 5.824 4.930 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.759 4.581 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.332 4.751 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 21 3.838 2.018 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.494 1.277 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.925 2.202 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.320 2.971 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.356 1.810 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.189 3.510 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.962 3.109 -7.352 1.00 0.00 H new ATOM 129 N MET A 22 6.164 1.710 -5.722 1.00 0.00 N ATOM 130 CA MET A 22 6.786 0.599 -4.997 1.00 0.00 C ATOM 131 C MET A 22 8.238 0.879 -4.665 1.00 0.00 C ATOM 132 O MET A 22 8.633 0.866 -3.499 1.00 0.00 O ATOM 133 CB MET A 22 6.694 -0.681 -5.849 1.00 0.00 C ATOM 134 CG MET A 22 7.931 -1.554 -5.632 1.00 0.00 C ATOM 135 SD MET A 22 7.599 -3.241 -6.205 1.00 0.00 S ATOM 136 CE MET A 22 7.618 -2.907 -7.982 1.00 0.00 C ATOM 0 H MET A 22 5.870 1.479 -6.671 1.00 0.00 H new ATOM 0 HA MET A 22 6.249 0.472 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.796 -1.239 -5.584 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.606 -0.419 -6.903 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.781 -1.137 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.199 -1.565 -4.576 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.944 -3.799 -8.516 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.616 -2.632 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.306 -2.088 -8.191 1.00 0.00 H new ATOM 146 N LYS A 23 9.031 1.110 -5.688 1.00 0.00 N ATOM 147 CA LYS A 23 10.440 1.367 -5.483 1.00 0.00 C ATOM 148 C LYS A 23 10.646 2.788 -4.982 1.00 0.00 C ATOM 149 O LYS A 23 11.739 3.342 -5.089 1.00 0.00 O ATOM 150 CB LYS A 23 11.196 1.146 -6.796 1.00 0.00 C ATOM 151 CG LYS A 23 10.538 1.955 -7.919 1.00 0.00 C ATOM 152 CD LYS A 23 10.405 1.092 -9.175 1.00 0.00 C ATOM 153 CE LYS A 23 10.167 1.991 -10.390 1.00 0.00 C ATOM 154 NZ LYS A 23 9.882 1.144 -11.582 1.00 0.00 N ATOM 0 H LYS A 23 8.728 1.125 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 23 10.827 0.679 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.237 1.447 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.197 0.086 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.555 2.303 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.134 2.841 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.309 0.500 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.579 0.390 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.331 2.664 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.043 2.614 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.938 1.726 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.581 0.376 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.928 0.738 -11.500 1.00 0.00 H new ATOM 168 N LEU A 24 9.582 3.382 -4.447 1.00 0.00 N ATOM 169 CA LEU A 24 9.653 4.744 -3.942 1.00 0.00 C ATOM 170 C LEU A 24 9.409 4.778 -2.442 1.00 0.00 C ATOM 171 O LEU A 24 10.094 5.490 -1.710 1.00 0.00 O ATOM 172 CB LEU A 24 8.604 5.622 -4.625 1.00 0.00 C ATOM 173 CG LEU A 24 9.046 5.988 -6.051 1.00 0.00 C ATOM 174 CD1 LEU A 24 10.357 6.771 -6.008 1.00 0.00 C ATOM 175 CD2 LEU A 24 9.255 4.718 -6.869 1.00 0.00 C ATOM 0 H LEU A 24 8.667 2.942 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 24 10.652 5.123 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.649 5.097 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.448 6.530 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 24 8.270 6.600 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.662 7.026 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.216 7.685 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.130 6.162 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.568 4.983 -7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.025 4.105 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.322 4.157 -6.914 1.00 0.00 H new ATOM 187 N ILE A 25 8.415 4.018 -1.993 1.00 0.00 N ATOM 188 CA ILE A 25 8.083 3.999 -0.574 1.00 0.00 C ATOM 189 C ILE A 25 9.298 3.646 0.283 1.00 0.00 C ATOM 190 O ILE A 25 9.602 4.332 1.258 1.00 0.00 O ATOM 191 CB ILE A 25 6.964 2.976 -0.311 1.00 0.00 C ATOM 192 CG1 ILE A 25 7.151 1.748 -1.210 1.00 0.00 C ATOM 193 CG2 ILE A 25 5.600 3.603 -0.604 1.00 0.00 C ATOM 194 CD1 ILE A 25 6.309 0.592 -0.673 1.00 0.00 C ATOM 0 H ILE A 25 7.835 3.418 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 25 7.748 4.999 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 25 7.011 2.674 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.855 1.984 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.203 1.463 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.815 2.871 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.452 4.469 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.560 3.916 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.441 -0.282 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.626 0.351 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.258 0.880 -0.666 1.00 0.00 H new ATOM 206 N LYS A 26 9.992 2.581 -0.081 1.00 0.00 N ATOM 207 CA LYS A 26 11.158 2.146 0.683 1.00 0.00 C ATOM 208 C LYS A 26 12.409 2.913 0.289 1.00 0.00 C ATOM 209 O LYS A 26 13.347 3.036 1.071 1.00 0.00 O ATOM 210 CB LYS A 26 11.384 0.650 0.461 1.00 0.00 C ATOM 211 CG LYS A 26 11.113 0.308 -1.008 1.00 0.00 C ATOM 212 CD LYS A 26 12.185 -0.650 -1.528 1.00 0.00 C ATOM 213 CE LYS A 26 13.440 0.142 -1.905 1.00 0.00 C ATOM 214 NZ LYS A 26 14.478 -0.793 -2.427 1.00 0.00 N ATOM 0 H LYS A 26 9.774 2.003 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 26 10.962 2.345 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.407 0.382 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.725 0.071 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.128 -0.147 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.106 1.219 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.425 -1.391 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.811 -1.194 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.198 0.891 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.821 0.677 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.331 -0.256 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.716 -1.492 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.112 -1.284 -3.268 1.00 0.00 H new ATOM 228 N GLU A 27 12.415 3.419 -0.927 1.00 0.00 N ATOM 229 CA GLU A 27 13.551 4.168 -1.437 1.00 0.00 C ATOM 230 C GLU A 27 13.642 5.519 -0.755 1.00 0.00 C ATOM 231 O GLU A 27 14.731 5.999 -0.467 1.00 0.00 O ATOM 232 CB GLU A 27 13.415 4.366 -2.944 1.00 0.00 C ATOM 233 CG GLU A 27 14.679 5.025 -3.494 1.00 0.00 C ATOM 234 CD GLU A 27 15.854 4.061 -3.387 1.00 0.00 C ATOM 235 OE1 GLU A 27 16.971 4.489 -3.627 1.00 0.00 O ATOM 236 OE2 GLU A 27 15.621 2.904 -3.075 1.00 0.00 O ATOM 0 H GLU A 27 11.642 3.326 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 27 14.459 3.602 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.252 3.406 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.546 4.986 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.527 5.313 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.895 5.938 -2.939 1.00 0.00 H new ATOM 243 N ILE A 28 12.489 6.133 -0.508 1.00 0.00 N ATOM 244 CA ILE A 28 12.461 7.435 0.140 1.00 0.00 C ATOM 245 C ILE A 28 12.425 7.271 1.654 1.00 0.00 C ATOM 246 O ILE A 28 13.068 8.024 2.382 1.00 0.00 O ATOM 247 CB ILE A 28 11.249 8.247 -0.331 1.00 0.00 C ATOM 248 CG1 ILE A 28 9.955 7.506 0.016 1.00 0.00 C ATOM 249 CG2 ILE A 28 11.325 8.441 -1.846 1.00 0.00 C ATOM 250 CD1 ILE A 28 9.241 8.234 1.156 1.00 0.00 C ATOM 0 H ILE A 28 11.572 5.753 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 28 13.367 7.974 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 28 11.254 9.216 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.307 7.454 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.178 6.480 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.464 9.018 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.241 8.975 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.324 7.468 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.320 7.707 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.889 8.263 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.005 9.252 0.846 1.00 0.00 H new ATOM 262 N VAL A 29 11.678 6.277 2.123 1.00 0.00 N ATOM 263 CA VAL A 29 11.580 6.027 3.549 1.00 0.00 C ATOM 264 C VAL A 29 12.935 5.626 4.119 1.00 0.00 C ATOM 265 O VAL A 29 13.312 6.063 5.206 1.00 0.00 O ATOM 266 CB VAL A 29 10.565 4.921 3.819 1.00 0.00 C ATOM 267 CG1 VAL A 29 10.626 4.525 5.294 1.00 0.00 C ATOM 268 CG2 VAL A 29 9.161 5.427 3.483 1.00 0.00 C ATOM 0 H VAL A 29 11.137 5.639 1.539 1.00 0.00 H new ATOM 0 HA VAL A 29 11.252 6.946 4.035 1.00 0.00 H new ATOM 0 HB VAL A 29 10.796 4.054 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.901 3.735 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.627 4.166 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.393 5.391 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.434 4.638 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.929 6.293 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.119 5.711 2.431 1.00 0.00 H new ATOM 278 N GLU A 30 13.657 4.778 3.394 1.00 0.00 N ATOM 279 CA GLU A 30 14.959 4.324 3.872 1.00 0.00 C ATOM 280 C GLU A 30 16.013 5.402 3.676 1.00 0.00 C ATOM 281 O GLU A 30 17.181 5.206 4.012 1.00 0.00 O ATOM 282 CB GLU A 30 15.378 3.057 3.131 1.00 0.00 C ATOM 283 CG GLU A 30 14.420 1.925 3.500 1.00 0.00 C ATOM 284 CD GLU A 30 14.734 0.681 2.679 1.00 0.00 C ATOM 285 OE1 GLU A 30 14.012 -0.292 2.813 1.00 0.00 O ATOM 286 OE2 GLU A 30 15.695 0.719 1.927 1.00 0.00 O ATOM 0 H GLU A 30 13.371 4.397 2.492 1.00 0.00 H new ATOM 0 HA GLU A 30 14.873 4.109 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.362 3.228 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.400 2.787 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.505 1.699 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.391 2.237 3.322 1.00 0.00 H new ATOM 293 N ASN A 31 15.600 6.538 3.123 1.00 0.00 N ATOM 294 CA ASN A 31 16.535 7.627 2.882 1.00 0.00 C ATOM 295 C ASN A 31 16.195 8.846 3.733 1.00 0.00 C ATOM 296 O ASN A 31 16.954 9.814 3.774 1.00 0.00 O ATOM 297 CB ASN A 31 16.505 8.006 1.404 1.00 0.00 C ATOM 298 CG ASN A 31 17.917 8.007 0.828 1.00 0.00 C ATOM 299 OD1 ASN A 31 18.589 9.038 0.828 1.00 0.00 O ATOM 300 ND2 ASN A 31 18.408 6.902 0.335 1.00 0.00 N ATOM 0 H ASN A 31 14.639 6.726 2.838 1.00 0.00 H new ATOM 0 HA ASN A 31 17.534 7.289 3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.881 7.302 0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 31 16.055 8.992 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.352 6.891 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 31 17.848 6.050 0.337 1.00 0.00 H new ATOM 307 N GLU A 32 15.052 8.795 4.411 1.00 0.00 N ATOM 308 CA GLU A 32 14.628 9.901 5.252 1.00 0.00 C ATOM 309 C GLU A 32 15.066 9.701 6.689 1.00 0.00 C ATOM 310 O GLU A 32 16.252 9.790 7.003 1.00 0.00 O ATOM 311 CB GLU A 32 13.112 10.031 5.188 1.00 0.00 C ATOM 312 CG GLU A 32 12.694 10.700 3.877 1.00 0.00 C ATOM 313 CD GLU A 32 13.126 12.163 3.878 1.00 0.00 C ATOM 314 OE1 GLU A 32 13.330 12.699 4.957 1.00 0.00 O ATOM 315 OE2 GLU A 32 13.226 12.733 2.805 1.00 0.00 O ATOM 0 H GLU A 32 14.409 8.003 4.393 1.00 0.00 H new ATOM 0 HA GLU A 32 15.096 10.813 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.652 9.046 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.754 10.617 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.146 10.179 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.613 10.631 3.752 1.00 0.00 H new ATOM 322 N ASP A 33 14.103 9.437 7.556 1.00 0.00 N ATOM 323 CA ASP A 33 14.409 9.235 8.957 1.00 0.00 C ATOM 324 C ASP A 33 13.972 7.852 9.407 1.00 0.00 C ATOM 325 O ASP A 33 12.795 7.614 9.676 1.00 0.00 O ATOM 326 CB ASP A 33 13.713 10.299 9.805 1.00 0.00 C ATOM 327 CG ASP A 33 14.393 11.650 9.605 1.00 0.00 C ATOM 328 OD1 ASP A 33 15.432 11.678 8.967 1.00 0.00 O ATOM 329 OD2 ASP A 33 13.862 12.635 10.089 1.00 0.00 O ATOM 0 H ASP A 33 13.115 9.359 7.316 1.00 0.00 H new ATOM 0 HA ASP A 33 15.488 9.320 9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.661 10.367 9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.747 10.017 10.857 1.00 0.00 H new ATOM 334 N LYS A 34 14.934 6.951 9.495 1.00 0.00 N ATOM 335 CA LYS A 34 14.652 5.583 9.923 1.00 0.00 C ATOM 336 C LYS A 34 14.064 5.580 11.337 1.00 0.00 C ATOM 337 O LYS A 34 13.176 4.788 11.649 1.00 0.00 O ATOM 338 CB LYS A 34 15.931 4.743 9.899 1.00 0.00 C ATOM 339 CG LYS A 34 16.385 4.537 8.451 1.00 0.00 C ATOM 340 CD LYS A 34 17.651 3.675 8.426 1.00 0.00 C ATOM 341 CE LYS A 34 18.103 3.477 6.978 1.00 0.00 C ATOM 342 NZ LYS A 34 19.323 2.622 6.949 1.00 0.00 N ATOM 0 H LYS A 34 15.914 7.135 9.278 1.00 0.00 H new ATOM 0 HA LYS A 34 13.928 5.150 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.715 5.241 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.754 3.779 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.594 4.055 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.580 5.500 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.442 4.154 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.456 2.710 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.306 3.011 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.312 4.442 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.630 2.488 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.083 3.083 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.109 1.697 7.374 1.00 0.00 H new ATOM 356 N ARG A 35 14.573 6.474 12.177 1.00 0.00 N ATOM 357 CA ARG A 35 14.113 6.596 13.565 1.00 0.00 C ATOM 358 C ARG A 35 12.628 6.944 13.609 1.00 0.00 C ATOM 359 O ARG A 35 11.901 6.547 14.521 1.00 0.00 O ATOM 360 CB ARG A 35 14.903 7.706 14.232 1.00 0.00 C ATOM 361 CG ARG A 35 16.348 7.257 14.388 1.00 0.00 C ATOM 362 CD ARG A 35 17.167 8.438 14.872 1.00 0.00 C ATOM 363 NE ARG A 35 18.563 8.046 15.048 1.00 0.00 N ATOM 364 CZ ARG A 35 19.492 8.922 15.429 1.00 0.00 C ATOM 365 NH1 ARG A 35 19.174 10.167 15.648 1.00 0.00 N ATOM 366 NH2 ARG A 35 20.730 8.531 15.583 1.00 0.00 N ATOM 0 H ARG A 35 15.310 7.132 11.923 1.00 0.00 H new ATOM 0 HA ARG A 35 14.263 5.648 14.081 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.853 8.616 13.634 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.474 7.941 15.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.414 6.433 15.098 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.736 6.891 13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 35 17.099 9.255 14.154 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.764 8.807 15.815 1.00 0.00 H new ATOM 0 HE ARG A 35 18.833 7.078 14.875 1.00 0.00 H new ATOM 0 HH11 ARG A 35 18.209 10.476 15.528 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.890 10.833 15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.983 7.558 15.412 1.00 0.00 H new ATOM 0 HH22 ARG A 35 21.443 9.199 15.875 1.00 0.00 H new ATOM 380 N LYS A 36 12.204 7.699 12.610 1.00 0.00 N ATOM 381 CA LYS A 36 10.809 8.128 12.494 1.00 0.00 C ATOM 382 C LYS A 36 10.219 7.626 11.178 1.00 0.00 C ATOM 383 O LYS A 36 10.110 8.379 10.209 1.00 0.00 O ATOM 384 CB LYS A 36 10.714 9.655 12.535 1.00 0.00 C ATOM 385 CG LYS A 36 11.770 10.207 13.487 1.00 0.00 C ATOM 386 CD LYS A 36 11.445 11.662 13.825 1.00 0.00 C ATOM 387 CE LYS A 36 12.667 12.311 14.472 1.00 0.00 C ATOM 388 NZ LYS A 36 12.237 13.111 15.653 1.00 0.00 N ATOM 0 H LYS A 36 12.807 8.033 11.858 1.00 0.00 H new ATOM 0 HA LYS A 36 10.250 7.711 13.332 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.860 10.066 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.720 9.959 12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.801 9.610 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.757 10.141 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.166 12.204 12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.592 11.709 14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.380 11.545 14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.176 12.951 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.069 13.553 16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.572 13.851 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.769 12.488 16.342 1.00 0.00 H new ATOM 402 N PRO A 37 9.849 6.375 11.122 1.00 0.00 N ATOM 403 CA PRO A 37 9.271 5.763 9.891 1.00 0.00 C ATOM 404 C PRO A 37 7.874 6.285 9.564 1.00 0.00 C ATOM 405 O PRO A 37 7.147 6.752 10.441 1.00 0.00 O ATOM 406 CB PRO A 37 9.260 4.272 10.211 1.00 0.00 C ATOM 407 CG PRO A 37 9.153 4.207 11.690 1.00 0.00 C ATOM 408 CD PRO A 37 9.932 5.398 12.218 1.00 0.00 C ATOM 0 HA PRO A 37 9.851 6.007 9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.420 3.770 9.730 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.168 3.784 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.111 4.250 12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.564 3.272 12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.495 5.788 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.965 5.134 12.443 1.00 0.00 H new ATOM 416 N TYR A 38 7.518 6.217 8.285 1.00 0.00 N ATOM 417 CA TYR A 38 6.221 6.696 7.822 1.00 0.00 C ATOM 418 C TYR A 38 5.181 5.586 7.908 1.00 0.00 C ATOM 419 O TYR A 38 5.518 4.415 8.083 1.00 0.00 O ATOM 420 CB TYR A 38 6.338 7.168 6.372 1.00 0.00 C ATOM 421 CG TYR A 38 7.335 8.299 6.297 1.00 0.00 C ATOM 422 CD1 TYR A 38 8.700 8.003 6.245 1.00 0.00 C ATOM 423 CD2 TYR A 38 6.902 9.631 6.261 1.00 0.00 C ATOM 424 CE1 TYR A 38 9.640 9.031 6.162 1.00 0.00 C ATOM 425 CE2 TYR A 38 7.845 10.666 6.180 1.00 0.00 C ATOM 426 CZ TYR A 38 9.215 10.365 6.132 1.00 0.00 C ATOM 427 OH TYR A 38 10.143 11.383 6.049 1.00 0.00 O ATOM 0 H TYR A 38 8.112 5.834 7.549 1.00 0.00 H new ATOM 0 HA TYR A 38 5.907 7.524 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.656 6.344 5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.366 7.499 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.029 6.974 6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.847 9.860 6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.694 8.798 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.517 11.695 6.155 1.00 0.00 H new ATOM 0 HH TYR A 38 9.681 12.247 6.037 1.00 0.00 H new ATOM 437 N SER A 39 3.916 5.965 7.776 1.00 0.00 N ATOM 438 CA SER A 39 2.828 5.000 7.831 1.00 0.00 C ATOM 439 C SER A 39 2.053 5.029 6.526 1.00 0.00 C ATOM 440 O SER A 39 1.871 6.096 5.943 1.00 0.00 O ATOM 441 CB SER A 39 1.898 5.314 8.998 1.00 0.00 C ATOM 442 OG SER A 39 1.539 6.687 8.954 1.00 0.00 O ATOM 0 H SER A 39 3.620 6.930 7.631 1.00 0.00 H new ATOM 0 HA SER A 39 3.246 4.004 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.005 4.691 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.391 5.085 9.943 1.00 0.00 H new ATOM 0 HG SER A 39 0.940 6.893 9.702 1.00 0.00 H new ATOM 448 N ASP A 40 1.613 3.849 6.080 1.00 0.00 N ATOM 449 CA ASP A 40 0.872 3.726 4.833 1.00 0.00 C ATOM 450 C ASP A 40 0.179 5.026 4.480 1.00 0.00 C ATOM 451 O ASP A 40 0.309 5.525 3.369 1.00 0.00 O ATOM 452 CB ASP A 40 -0.154 2.600 4.950 1.00 0.00 C ATOM 453 CG ASP A 40 -1.022 2.807 6.187 1.00 0.00 C ATOM 454 OD1 ASP A 40 -0.647 3.613 7.022 1.00 0.00 O ATOM 455 OD2 ASP A 40 -2.048 2.154 6.281 1.00 0.00 O ATOM 0 H ASP A 40 1.760 2.966 6.569 1.00 0.00 H new ATOM 0 HA ASP A 40 1.578 3.492 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.780 2.574 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.356 1.638 5.011 1.00 0.00 H new ATOM 460 N GLN A 41 -0.534 5.591 5.430 1.00 0.00 N ATOM 461 CA GLN A 41 -1.209 6.835 5.202 1.00 0.00 C ATOM 462 C GLN A 41 -0.207 7.905 4.829 1.00 0.00 C ATOM 463 O GLN A 41 -0.200 8.408 3.715 1.00 0.00 O ATOM 464 CB GLN A 41 -1.902 7.221 6.487 1.00 0.00 C ATOM 465 CG GLN A 41 -2.455 8.632 6.386 1.00 0.00 C ATOM 466 CD GLN A 41 -1.367 9.682 6.586 1.00 0.00 C ATOM 467 OE1 GLN A 41 -0.741 9.734 7.644 1.00 0.00 O ATOM 468 NE2 GLN A 41 -1.112 10.529 5.627 1.00 0.00 N ATOM 0 H GLN A 41 -0.657 5.203 6.365 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.928 6.734 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.711 6.521 6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.201 7.157 7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.920 8.771 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.236 8.771 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.634 10.481 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.390 11.239 5.752 1.00 0.00 H new ATOM 477 N GLU A 42 0.624 8.260 5.790 1.00 0.00 N ATOM 478 CA GLU A 42 1.622 9.295 5.576 1.00 0.00 C ATOM 479 C GLU A 42 2.300 9.143 4.219 1.00 0.00 C ATOM 480 O GLU A 42 2.260 10.052 3.393 1.00 0.00 O ATOM 481 CB GLU A 42 2.687 9.228 6.666 1.00 0.00 C ATOM 482 CG GLU A 42 2.070 9.529 8.033 1.00 0.00 C ATOM 483 CD GLU A 42 1.538 10.958 8.064 1.00 0.00 C ATOM 484 OE1 GLU A 42 1.968 11.747 7.238 1.00 0.00 O ATOM 485 OE2 GLU A 42 0.710 11.243 8.913 1.00 0.00 O ATOM 0 H GLU A 42 0.630 7.850 6.724 1.00 0.00 H new ATOM 0 HA GLU A 42 1.109 10.256 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.144 8.239 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.481 9.944 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.262 8.827 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.817 9.393 8.816 1.00 0.00 H new ATOM 492 N ILE A 43 2.923 7.992 4.005 1.00 0.00 N ATOM 493 CA ILE A 43 3.624 7.725 2.748 1.00 0.00 C ATOM 494 C ILE A 43 2.696 7.985 1.577 1.00 0.00 C ATOM 495 O ILE A 43 3.105 8.518 0.547 1.00 0.00 O ATOM 496 CB ILE A 43 4.123 6.272 2.689 1.00 0.00 C ATOM 497 CG1 ILE A 43 3.621 5.504 3.911 1.00 0.00 C ATOM 498 CG2 ILE A 43 5.653 6.255 2.675 1.00 0.00 C ATOM 499 CD1 ILE A 43 4.107 4.054 3.869 1.00 0.00 C ATOM 0 H ILE A 43 2.960 7.228 4.680 1.00 0.00 H new ATOM 0 HA ILE A 43 4.486 8.390 2.694 1.00 0.00 H new ATOM 0 HB ILE A 43 3.744 5.800 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.975 5.986 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.532 5.528 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.005 5.224 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.015 6.798 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.030 6.731 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.740 3.522 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.731 3.570 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.197 4.036 3.863 1.00 0.00 H new ATOM 511 N ALA A 44 1.441 7.616 1.750 1.00 0.00 N ATOM 512 CA ALA A 44 0.456 7.825 0.694 1.00 0.00 C ATOM 513 C ALA A 44 0.242 9.318 0.461 1.00 0.00 C ATOM 514 O ALA A 44 -0.042 9.748 -0.657 1.00 0.00 O ATOM 515 CB ALA A 44 -0.878 7.158 1.055 1.00 0.00 C ATOM 0 H ALA A 44 1.079 7.176 2.596 1.00 0.00 H new ATOM 0 HA ALA A 44 0.836 7.371 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.598 7.326 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.725 6.087 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.260 7.586 1.982 1.00 0.00 H new ATOM 521 N ASN A 45 0.365 10.099 1.530 1.00 0.00 N ATOM 522 CA ASN A 45 0.167 11.548 1.442 1.00 0.00 C ATOM 523 C ASN A 45 1.319 12.235 0.722 1.00 0.00 C ATOM 524 O ASN A 45 1.109 13.039 -0.183 1.00 0.00 O ATOM 525 CB ASN A 45 0.030 12.141 2.843 1.00 0.00 C ATOM 526 CG ASN A 45 -0.142 13.655 2.758 1.00 0.00 C ATOM 527 OD1 ASN A 45 -0.968 14.144 1.989 1.00 0.00 O ATOM 528 ND2 ASN A 45 0.596 14.431 3.506 1.00 0.00 N ATOM 0 H ASN A 45 0.599 9.759 2.463 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.745 11.718 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.826 11.698 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.912 11.900 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.488 15.444 3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.281 14.024 4.143 1.00 0.00 H new ATOM 535 N ILE A 46 2.531 11.917 1.131 1.00 0.00 N ATOM 536 CA ILE A 46 3.715 12.510 0.525 1.00 0.00 C ATOM 537 C ILE A 46 3.813 12.107 -0.941 1.00 0.00 C ATOM 538 O ILE A 46 4.167 12.911 -1.798 1.00 0.00 O ATOM 539 CB ILE A 46 4.959 12.053 1.276 1.00 0.00 C ATOM 540 CG1 ILE A 46 4.794 12.367 2.763 1.00 0.00 C ATOM 541 CG2 ILE A 46 6.179 12.800 0.744 1.00 0.00 C ATOM 542 CD1 ILE A 46 5.242 11.161 3.577 1.00 0.00 C ATOM 0 H ILE A 46 2.726 11.252 1.880 1.00 0.00 H new ATOM 0 HA ILE A 46 3.639 13.596 0.584 1.00 0.00 H new ATOM 0 HB ILE A 46 5.094 10.981 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.385 13.243 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.754 12.605 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.069 12.473 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.299 12.590 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.041 13.872 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.128 11.376 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.631 10.297 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.288 10.945 3.361 1.00 0.00 H new ATOM 554 N LEU A 47 3.497 10.850 -1.212 1.00 0.00 N ATOM 555 CA LEU A 47 3.544 10.318 -2.565 1.00 0.00 C ATOM 556 C LEU A 47 2.585 11.067 -3.476 1.00 0.00 C ATOM 557 O LEU A 47 2.809 11.165 -4.682 1.00 0.00 O ATOM 558 CB LEU A 47 3.192 8.833 -2.534 1.00 0.00 C ATOM 559 CG LEU A 47 4.466 7.978 -2.433 1.00 0.00 C ATOM 560 CD1 LEU A 47 5.459 8.578 -1.431 1.00 0.00 C ATOM 561 CD2 LEU A 47 4.092 6.568 -1.978 1.00 0.00 C ATOM 0 H LEU A 47 3.203 10.175 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 47 4.551 10.447 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.540 8.626 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.638 8.566 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 47 4.938 7.951 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.349 7.951 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.739 9.581 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.996 8.629 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.993 5.958 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.607 6.617 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.409 6.122 -2.701 1.00 0.00 H new ATOM 573 N LYS A 48 1.524 11.599 -2.898 1.00 0.00 N ATOM 574 CA LYS A 48 0.549 12.343 -3.681 1.00 0.00 C ATOM 575 C LYS A 48 1.067 13.745 -3.975 1.00 0.00 C ATOM 576 O LYS A 48 0.504 14.466 -4.799 1.00 0.00 O ATOM 577 CB LYS A 48 -0.776 12.411 -2.915 1.00 0.00 C ATOM 578 CG LYS A 48 -0.964 13.807 -2.316 1.00 0.00 C ATOM 579 CD LYS A 48 -2.153 13.787 -1.361 1.00 0.00 C ATOM 580 CE LYS A 48 -2.339 15.180 -0.758 1.00 0.00 C ATOM 581 NZ LYS A 48 -3.490 15.168 0.187 1.00 0.00 N ATOM 0 H LYS A 48 1.315 11.533 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 48 0.386 11.833 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.605 12.179 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.786 11.662 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.062 14.113 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.131 14.536 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.056 13.484 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.987 13.055 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.432 15.486 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.513 15.909 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.614 16.116 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.355 14.895 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.306 14.484 0.949 1.00 0.00 H new ATOM 595 N GLU A 49 2.138 14.131 -3.288 1.00 0.00 N ATOM 596 CA GLU A 49 2.709 15.456 -3.481 1.00 0.00 C ATOM 597 C GLU A 49 3.727 15.454 -4.618 1.00 0.00 C ATOM 598 O GLU A 49 4.079 16.507 -5.147 1.00 0.00 O ATOM 599 CB GLU A 49 3.387 15.926 -2.193 1.00 0.00 C ATOM 600 CG GLU A 49 2.331 16.132 -1.105 1.00 0.00 C ATOM 601 CD GLU A 49 2.998 16.566 0.195 1.00 0.00 C ATOM 602 OE1 GLU A 49 2.292 16.721 1.177 1.00 0.00 O ATOM 603 OE2 GLU A 49 4.205 16.740 0.189 1.00 0.00 O ATOM 0 H GLU A 49 2.622 13.552 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 49 1.899 16.138 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.121 15.190 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.926 16.856 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.612 16.886 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.775 15.208 -0.947 1.00 0.00 H new ATOM 610 N LYS A 50 4.215 14.271 -4.971 1.00 0.00 N ATOM 611 CA LYS A 50 5.210 14.152 -6.024 1.00 0.00 C ATOM 612 C LYS A 50 4.523 13.981 -7.365 1.00 0.00 C ATOM 613 O LYS A 50 4.556 14.867 -8.219 1.00 0.00 O ATOM 614 CB LYS A 50 6.070 12.919 -5.757 1.00 0.00 C ATOM 615 CG LYS A 50 6.318 12.780 -4.254 1.00 0.00 C ATOM 616 CD LYS A 50 7.309 13.838 -3.763 1.00 0.00 C ATOM 617 CE LYS A 50 7.208 13.946 -2.240 1.00 0.00 C ATOM 618 NZ LYS A 50 8.417 14.639 -1.709 1.00 0.00 N ATOM 0 H LYS A 50 3.939 13.386 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 50 5.826 15.051 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.572 12.027 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.019 13.004 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.376 12.881 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.705 11.785 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.324 13.568 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.091 14.801 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.309 14.497 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.122 12.953 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.348 14.712 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.267 14.096 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.479 15.592 -2.120 1.00 0.00 H new ATOM 632 N GLY A 51 3.902 12.825 -7.537 1.00 0.00 N ATOM 633 CA GLY A 51 3.202 12.531 -8.783 1.00 0.00 C ATOM 634 C GLY A 51 2.739 11.081 -8.838 1.00 0.00 C ATOM 635 O GLY A 51 2.580 10.514 -9.919 1.00 0.00 O ATOM 0 H GLY A 51 3.866 12.081 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.341 13.192 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.860 12.736 -9.628 1.00 0.00 H new ATOM 639 N PHE A 52 2.521 10.484 -7.672 1.00 0.00 N ATOM 640 CA PHE A 52 2.076 9.101 -7.621 1.00 0.00 C ATOM 641 C PHE A 52 0.589 9.038 -7.297 1.00 0.00 C ATOM 642 O PHE A 52 -0.066 8.029 -7.555 1.00 0.00 O ATOM 643 CB PHE A 52 2.858 8.354 -6.548 1.00 0.00 C ATOM 644 CG PHE A 52 4.337 8.500 -6.801 1.00 0.00 C ATOM 645 CD1 PHE A 52 5.105 9.320 -5.965 1.00 0.00 C ATOM 646 CD2 PHE A 52 4.942 7.820 -7.864 1.00 0.00 C ATOM 647 CE1 PHE A 52 6.479 9.456 -6.193 1.00 0.00 C ATOM 648 CE2 PHE A 52 6.315 7.956 -8.091 1.00 0.00 C ATOM 649 CZ PHE A 52 7.083 8.774 -7.256 1.00 0.00 C ATOM 0 H PHE A 52 2.644 10.930 -6.763 1.00 0.00 H new ATOM 0 HA PHE A 52 2.249 8.639 -8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.608 8.747 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.581 7.300 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.638 9.846 -5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.348 7.190 -8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.073 10.087 -5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.782 7.430 -8.910 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.143 8.880 -7.432 1.00 0.00 H new ATOM 659 N LYS A 53 0.071 10.130 -6.727 1.00 0.00 N ATOM 660 CA LYS A 53 -1.342 10.213 -6.360 1.00 0.00 C ATOM 661 C LYS A 53 -1.898 8.830 -6.039 1.00 0.00 C ATOM 662 O LYS A 53 -2.990 8.468 -6.480 1.00 0.00 O ATOM 663 CB LYS A 53 -2.142 10.846 -7.498 1.00 0.00 C ATOM 664 CG LYS A 53 -1.544 10.426 -8.842 1.00 0.00 C ATOM 665 CD LYS A 53 -2.505 10.805 -9.966 1.00 0.00 C ATOM 666 CE LYS A 53 -3.515 9.674 -10.155 1.00 0.00 C ATOM 667 NZ LYS A 53 -4.765 10.214 -10.759 1.00 0.00 N ATOM 0 H LYS A 53 0.611 10.968 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.431 10.836 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.185 10.535 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.128 11.932 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.581 10.914 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.362 9.351 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.021 11.734 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.954 10.977 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.094 8.901 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.736 9.206 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.450 9.442 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.170 10.937 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.548 10.641 -11.682 1.00 0.00 H new ATOM 681 N VAL A 54 -1.137 8.058 -5.273 1.00 0.00 N ATOM 682 CA VAL A 54 -1.565 6.714 -4.911 1.00 0.00 C ATOM 683 C VAL A 54 -2.378 6.731 -3.615 1.00 0.00 C ATOM 684 O VAL A 54 -2.275 7.662 -2.817 1.00 0.00 O ATOM 685 CB VAL A 54 -0.347 5.802 -4.759 1.00 0.00 C ATOM 686 CG1 VAL A 54 0.709 6.491 -3.897 1.00 0.00 C ATOM 687 CG2 VAL A 54 -0.785 4.493 -4.104 1.00 0.00 C ATOM 0 H VAL A 54 -0.231 8.335 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.203 6.329 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 54 0.083 5.593 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.575 5.838 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.014 7.424 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.293 6.704 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.077 3.836 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.212 4.702 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.533 4.006 -4.729 1.00 0.00 H new ATOM 697 N ALA A 55 -3.196 5.697 -3.426 1.00 0.00 N ATOM 698 CA ALA A 55 -4.039 5.592 -2.242 1.00 0.00 C ATOM 699 C ALA A 55 -3.368 4.734 -1.175 1.00 0.00 C ATOM 700 O ALA A 55 -2.436 3.976 -1.458 1.00 0.00 O ATOM 701 CB ALA A 55 -5.392 4.985 -2.615 1.00 0.00 C ATOM 0 H ALA A 55 -3.291 4.920 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.190 6.594 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.015 4.910 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.885 5.620 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.241 3.991 -3.037 1.00 0.00 H new ATOM 707 N ARG A 56 -3.845 4.866 0.055 1.00 0.00 N ATOM 708 CA ARG A 56 -3.280 4.110 1.159 1.00 0.00 C ATOM 709 C ARG A 56 -3.532 2.619 0.960 1.00 0.00 C ATOM 710 O ARG A 56 -2.820 1.779 1.508 1.00 0.00 O ATOM 711 CB ARG A 56 -3.908 4.564 2.477 1.00 0.00 C ATOM 712 CG ARG A 56 -3.052 4.083 3.653 1.00 0.00 C ATOM 713 CD ARG A 56 -3.690 4.540 4.964 1.00 0.00 C ATOM 714 NE ARG A 56 -4.958 3.851 5.173 1.00 0.00 N ATOM 715 CZ ARG A 56 -5.964 4.440 5.811 1.00 0.00 C ATOM 716 NH1 ARG A 56 -5.827 5.653 6.271 1.00 0.00 N ATOM 717 NH2 ARG A 56 -7.091 3.803 5.981 1.00 0.00 N ATOM 0 H ARG A 56 -4.615 5.484 0.310 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.205 4.288 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.990 5.651 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.919 4.166 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.968 2.996 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.041 4.482 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.016 4.336 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.852 5.618 4.942 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.075 2.900 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.946 6.151 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.600 6.103 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.199 2.854 5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.863 4.255 6.471 1.00 0.00 H new ATOM 731 N ARG A 57 -4.558 2.302 0.178 1.00 0.00 N ATOM 732 CA ARG A 57 -4.912 0.915 -0.088 1.00 0.00 C ATOM 733 C ARG A 57 -3.829 0.224 -0.908 1.00 0.00 C ATOM 734 O ARG A 57 -3.547 -0.958 -0.703 1.00 0.00 O ATOM 735 CB ARG A 57 -6.251 0.846 -0.831 1.00 0.00 C ATOM 736 CG ARG A 57 -7.398 0.713 0.177 1.00 0.00 C ATOM 737 CD ARG A 57 -7.493 1.992 1.012 1.00 0.00 C ATOM 738 NE ARG A 57 -8.580 1.885 1.980 1.00 0.00 N ATOM 739 CZ ARG A 57 -8.574 2.606 3.097 1.00 0.00 C ATOM 740 NH1 ARG A 57 -7.592 3.431 3.334 1.00 0.00 N ATOM 741 NH2 ARG A 57 -9.551 2.491 3.955 1.00 0.00 N ATOM 0 H ARG A 57 -5.158 2.987 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.003 0.398 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.388 1.742 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.255 -0.003 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.338 0.537 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.228 -0.146 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.551 2.166 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.661 2.849 0.360 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.355 1.248 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.830 3.523 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.586 3.985 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.320 1.847 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.545 3.045 4.812 1.00 0.00 H new ATOM 755 N THR A 58 -3.231 0.952 -1.850 1.00 0.00 N ATOM 756 CA THR A 58 -2.206 0.382 -2.683 1.00 0.00 C ATOM 757 C THR A 58 -0.862 0.457 -1.994 1.00 0.00 C ATOM 758 O THR A 58 -0.061 -0.475 -2.050 1.00 0.00 O ATOM 759 CB THR A 58 -2.134 1.160 -3.987 1.00 0.00 C ATOM 760 OG1 THR A 58 -3.446 1.510 -4.398 1.00 0.00 O ATOM 761 CG2 THR A 58 -1.471 0.308 -5.061 1.00 0.00 C ATOM 0 H THR A 58 -3.446 1.930 -2.045 1.00 0.00 H new ATOM 0 HA THR A 58 -2.450 -0.663 -2.876 1.00 0.00 H new ATOM 0 HB THR A 58 -1.545 2.065 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.402 2.013 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.422 0.871 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.462 0.043 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.053 -0.600 -5.216 1.00 0.00 H new ATOM 769 N VAL A 59 -0.614 1.598 -1.369 1.00 0.00 N ATOM 770 CA VAL A 59 0.649 1.813 -0.698 1.00 0.00 C ATOM 771 C VAL A 59 0.820 0.836 0.459 1.00 0.00 C ATOM 772 O VAL A 59 1.933 0.408 0.768 1.00 0.00 O ATOM 773 CB VAL A 59 0.739 3.257 -0.192 1.00 0.00 C ATOM 774 CG1 VAL A 59 0.240 3.348 1.248 1.00 0.00 C ATOM 775 CG2 VAL A 59 2.195 3.727 -0.242 1.00 0.00 C ATOM 0 H VAL A 59 -1.267 2.380 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 59 1.453 1.639 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 59 0.119 3.888 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.310 4.380 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.798 3.020 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.851 2.710 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.258 4.754 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.807 3.083 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.558 3.679 -1.269 1.00 0.00 H new ATOM 785 N ALA A 60 -0.291 0.492 1.098 1.00 0.00 N ATOM 786 CA ALA A 60 -0.267 -0.429 2.223 1.00 0.00 C ATOM 787 C ALA A 60 0.035 -1.845 1.759 1.00 0.00 C ATOM 788 O ALA A 60 0.745 -2.596 2.426 1.00 0.00 O ATOM 789 CB ALA A 60 -1.612 -0.395 2.945 1.00 0.00 C ATOM 0 H ALA A 60 -1.219 0.838 0.855 1.00 0.00 H new ATOM 0 HA ALA A 60 0.522 -0.118 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.590 -1.086 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.804 0.614 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.403 -0.689 2.255 1.00 0.00 H new ATOM 795 N LYS A 61 -0.515 -2.204 0.613 1.00 0.00 N ATOM 796 CA LYS A 61 -0.297 -3.520 0.054 1.00 0.00 C ATOM 797 C LYS A 61 1.114 -3.631 -0.505 1.00 0.00 C ATOM 798 O LYS A 61 1.759 -4.674 -0.410 1.00 0.00 O ATOM 799 CB LYS A 61 -1.330 -3.779 -1.037 1.00 0.00 C ATOM 800 CG LYS A 61 -2.704 -3.963 -0.390 1.00 0.00 C ATOM 801 CD LYS A 61 -3.746 -4.232 -1.474 1.00 0.00 C ATOM 802 CE LYS A 61 -5.134 -4.318 -0.840 1.00 0.00 C ATOM 803 NZ LYS A 61 -5.245 -5.575 -0.046 1.00 0.00 N ATOM 0 H LYS A 61 -1.116 -1.600 0.053 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.408 -4.270 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.353 -2.945 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.060 -4.668 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.677 -4.792 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.974 -3.071 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.724 -3.437 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.514 -5.162 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.306 -3.454 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.901 -4.297 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.239 -5.735 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.903 -6.376 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.670 -5.492 0.817 1.00 0.00 H new ATOM 817 N TYR A 62 1.578 -2.539 -1.108 1.00 0.00 N ATOM 818 CA TYR A 62 2.910 -2.510 -1.706 1.00 0.00 C ATOM 819 C TYR A 62 4.005 -2.656 -0.659 1.00 0.00 C ATOM 820 O TYR A 62 4.924 -3.457 -0.820 1.00 0.00 O ATOM 821 CB TYR A 62 3.109 -1.203 -2.471 1.00 0.00 C ATOM 822 CG TYR A 62 2.643 -1.381 -3.891 1.00 0.00 C ATOM 823 CD1 TYR A 62 1.546 -2.200 -4.182 1.00 0.00 C ATOM 824 CD2 TYR A 62 3.331 -0.739 -4.920 1.00 0.00 C ATOM 825 CE1 TYR A 62 1.146 -2.374 -5.515 1.00 0.00 C ATOM 826 CE2 TYR A 62 2.933 -0.905 -6.243 1.00 0.00 C ATOM 827 CZ TYR A 62 1.843 -1.724 -6.546 1.00 0.00 C ATOM 828 OH TYR A 62 1.454 -1.892 -7.858 1.00 0.00 O ATOM 0 H TYR A 62 1.055 -1.668 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 62 2.981 -3.357 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.551 -0.399 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.160 -0.915 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.011 -2.695 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.178 -0.109 -4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.303 -3.007 -5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.467 -0.401 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 62 2.043 -1.371 -8.443 1.00 0.00 H new ATOM 838 N ARG A 63 3.910 -1.883 0.412 1.00 0.00 N ATOM 839 CA ARG A 63 4.913 -1.947 1.466 1.00 0.00 C ATOM 840 C ARG A 63 4.825 -3.281 2.198 1.00 0.00 C ATOM 841 O ARG A 63 5.610 -3.557 3.102 1.00 0.00 O ATOM 842 CB ARG A 63 4.710 -0.796 2.456 1.00 0.00 C ATOM 843 CG ARG A 63 3.299 -0.872 3.032 1.00 0.00 C ATOM 844 CD ARG A 63 3.363 -1.202 4.525 1.00 0.00 C ATOM 845 NE ARG A 63 3.835 -2.571 4.715 1.00 0.00 N ATOM 846 CZ ARG A 63 3.298 -3.375 5.631 1.00 0.00 C ATOM 847 NH1 ARG A 63 2.347 -2.947 6.417 1.00 0.00 N ATOM 848 NH2 ARG A 63 3.733 -4.600 5.751 1.00 0.00 N ATOM 0 H ARG A 63 3.159 -1.212 0.574 1.00 0.00 H new ATOM 0 HA ARG A 63 5.901 -1.857 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.446 -0.856 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.860 0.161 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.784 0.077 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.723 -1.634 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.031 -0.505 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.377 -1.083 4.975 1.00 0.00 H new ATOM 0 HE ARG A 63 4.595 -2.920 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.008 -1.989 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.943 -3.571 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.481 -4.937 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.325 -5.220 6.451 1.00 0.00 H new ATOM 862 N GLU A 64 3.859 -4.104 1.800 1.00 0.00 N ATOM 863 CA GLU A 64 3.671 -5.408 2.426 1.00 0.00 C ATOM 864 C GLU A 64 4.309 -6.515 1.593 1.00 0.00 C ATOM 865 O GLU A 64 4.650 -7.577 2.114 1.00 0.00 O ATOM 866 CB GLU A 64 2.177 -5.697 2.576 1.00 0.00 C ATOM 867 CG GLU A 64 1.986 -7.026 3.309 1.00 0.00 C ATOM 868 CD GLU A 64 0.500 -7.306 3.500 1.00 0.00 C ATOM 869 OE1 GLU A 64 0.164 -8.439 3.799 1.00 0.00 O ATOM 870 OE2 GLU A 64 -0.281 -6.381 3.346 1.00 0.00 O ATOM 0 H GLU A 64 3.199 -3.893 1.052 1.00 0.00 H new ATOM 0 HA GLU A 64 4.151 -5.385 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.694 -4.892 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.704 -5.739 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.447 -7.834 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.486 -6.992 4.277 1.00 0.00 H new ATOM 877 N MET A 65 4.457 -6.265 0.294 1.00 0.00 N ATOM 878 CA MET A 65 5.041 -7.262 -0.599 1.00 0.00 C ATOM 879 C MET A 65 6.518 -6.982 -0.840 1.00 0.00 C ATOM 880 O MET A 65 7.303 -7.901 -1.076 1.00 0.00 O ATOM 881 CB MET A 65 4.281 -7.283 -1.932 1.00 0.00 C ATOM 882 CG MET A 65 4.625 -6.043 -2.768 1.00 0.00 C ATOM 883 SD MET A 65 3.691 -6.092 -4.318 1.00 0.00 S ATOM 884 CE MET A 65 2.046 -5.820 -3.612 1.00 0.00 C ATOM 0 H MET A 65 4.185 -5.393 -0.159 1.00 0.00 H new ATOM 0 HA MET A 65 4.955 -8.239 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.535 -8.185 -2.488 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.208 -7.316 -1.745 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.384 -5.137 -2.213 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.695 -6.015 -2.975 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.518 -5.069 -4.199 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.484 -6.754 -3.628 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.144 -5.473 -2.583 1.00 0.00 H new ATOM 894 N LEU A 66 6.890 -5.709 -0.784 1.00 0.00 N ATOM 895 CA LEU A 66 8.275 -5.320 -1.004 1.00 0.00 C ATOM 896 C LEU A 66 9.192 -5.978 0.010 1.00 0.00 C ATOM 897 O LEU A 66 9.967 -6.874 -0.327 1.00 0.00 O ATOM 898 CB LEU A 66 8.384 -3.799 -0.884 1.00 0.00 C ATOM 899 CG LEU A 66 8.172 -3.150 -2.270 1.00 0.00 C ATOM 900 CD1 LEU A 66 7.249 -1.921 -2.164 1.00 0.00 C ATOM 901 CD2 LEU A 66 9.534 -2.726 -2.854 1.00 0.00 C ATOM 0 H LEU A 66 6.256 -4.934 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 66 8.581 -5.645 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.640 -3.426 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.362 -3.525 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 66 7.700 -3.881 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.114 -1.481 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.281 -2.226 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.698 -1.185 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.384 -2.268 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.009 -2.007 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.174 -3.602 -2.958 1.00 0.00 H new ATOM 913 N GLY A 67 9.105 -5.530 1.248 1.00 0.00 N ATOM 914 CA GLY A 67 9.942 -6.087 2.297 1.00 0.00 C ATOM 915 C GLY A 67 9.858 -5.251 3.565 1.00 0.00 C ATOM 916 O GLY A 67 10.876 -4.949 4.186 1.00 0.00 O ATOM 0 H GLY A 67 8.471 -4.790 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.631 -7.110 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.976 -6.133 1.956 1.00 0.00 H new ATOM 920 N ILE A 68 8.644 -4.876 3.953 1.00 0.00 N ATOM 921 CA ILE A 68 8.474 -4.076 5.156 1.00 0.00 C ATOM 922 C ILE A 68 7.137 -4.407 5.841 1.00 0.00 C ATOM 923 O ILE A 68 6.087 -4.362 5.201 1.00 0.00 O ATOM 924 CB ILE A 68 8.516 -2.582 4.793 1.00 0.00 C ATOM 925 CG1 ILE A 68 9.965 -2.053 4.794 1.00 0.00 C ATOM 926 CG2 ILE A 68 7.697 -1.796 5.811 1.00 0.00 C ATOM 927 CD1 ILE A 68 10.336 -1.602 3.381 1.00 0.00 C ATOM 0 H ILE A 68 7.780 -5.108 3.462 1.00 0.00 H new ATOM 0 HA ILE A 68 9.285 -4.307 5.847 1.00 0.00 H new ATOM 0 HB ILE A 68 8.101 -2.457 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.061 -1.221 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.649 -2.832 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.723 -0.736 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.665 -2.147 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.116 -1.942 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.359 -1.227 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 68 10.255 -2.447 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.658 -0.810 3.062 1.00 0.00 H new ATOM 939 N PRO A 69 7.149 -4.730 7.123 1.00 0.00 N ATOM 940 CA PRO A 69 5.897 -5.068 7.873 1.00 0.00 C ATOM 941 C PRO A 69 5.031 -3.835 8.130 1.00 0.00 C ATOM 942 O PRO A 69 3.803 -3.897 8.072 1.00 0.00 O ATOM 943 CB PRO A 69 6.410 -5.660 9.181 1.00 0.00 C ATOM 944 CG PRO A 69 7.757 -5.054 9.386 1.00 0.00 C ATOM 945 CD PRO A 69 8.337 -4.803 7.998 1.00 0.00 C ATOM 0 HA PRO A 69 5.255 -5.751 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.742 -5.423 10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.472 -6.747 9.123 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.682 -4.123 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.399 -5.722 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.913 -3.878 7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.008 -5.607 7.694 1.00 0.00 H new ATOM 953 N SER A 70 5.692 -2.718 8.400 1.00 0.00 N ATOM 954 CA SER A 70 4.996 -1.450 8.650 1.00 0.00 C ATOM 955 C SER A 70 5.980 -0.291 8.821 1.00 0.00 C ATOM 956 O SER A 70 5.583 0.822 9.164 1.00 0.00 O ATOM 957 CB SER A 70 4.130 -1.549 9.902 1.00 0.00 C ATOM 958 OG SER A 70 4.961 -1.484 11.055 1.00 0.00 O ATOM 0 H SER A 70 6.709 -2.657 8.453 1.00 0.00 H new ATOM 0 HA SER A 70 4.369 -1.255 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.401 -0.739 9.919 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.568 -2.483 9.897 1.00 0.00 H new ATOM 0 HG SER A 70 4.434 -1.704 11.851 1.00 0.00 H new ATOM 964 N SER A 71 7.257 -0.560 8.589 1.00 0.00 N ATOM 965 CA SER A 71 8.289 0.459 8.720 1.00 0.00 C ATOM 966 C SER A 71 8.413 0.916 10.168 1.00 0.00 C ATOM 967 O SER A 71 9.344 1.640 10.520 1.00 0.00 O ATOM 968 CB SER A 71 7.962 1.655 7.823 1.00 0.00 C ATOM 969 OG SER A 71 7.015 2.491 8.476 1.00 0.00 O ATOM 0 H SER A 71 7.604 -1.477 8.309 1.00 0.00 H new ATOM 0 HA SER A 71 9.240 0.027 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.869 2.218 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.562 1.310 6.870 1.00 0.00 H new ATOM 0 HG SER A 71 6.151 2.031 8.524 1.00 0.00 H new ATOM 975 N ARG A 72 7.478 0.481 11.003 1.00 0.00 N ATOM 976 CA ARG A 72 7.499 0.842 12.411 1.00 0.00 C ATOM 977 C ARG A 72 8.299 -0.182 13.211 1.00 0.00 C ATOM 978 O ARG A 72 8.955 0.157 14.195 1.00 0.00 O ATOM 979 CB ARG A 72 6.069 0.923 12.947 1.00 0.00 C ATOM 980 CG ARG A 72 6.094 1.397 14.402 1.00 0.00 C ATOM 981 CD ARG A 72 4.661 1.578 14.906 1.00 0.00 C ATOM 982 NE ARG A 72 4.669 2.018 16.296 1.00 0.00 N ATOM 983 CZ ARG A 72 3.536 2.282 16.940 1.00 0.00 C ATOM 984 NH1 ARG A 72 2.393 2.165 16.322 1.00 0.00 N ATOM 985 NH2 ARG A 72 3.568 2.665 18.187 1.00 0.00 N ATOM 0 H ARG A 72 6.700 -0.119 10.730 1.00 0.00 H new ATOM 0 HA ARG A 72 7.977 1.816 12.516 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.480 1.611 12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.589 -0.053 12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.620 0.672 15.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.639 2.338 14.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.140 2.309 14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.115 0.639 14.817 1.00 0.00 H new ATOM 0 HE ARG A 72 5.559 2.125 16.783 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.369 1.871 15.346 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.523 2.367 16.815 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.462 2.762 18.668 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.699 2.867 18.681 1.00 0.00 H new ATOM 999 N GLU A 73 8.222 -1.440 12.787 1.00 0.00 N ATOM 1000 CA GLU A 73 8.928 -2.514 13.480 1.00 0.00 C ATOM 1001 C GLU A 73 10.426 -2.421 13.249 1.00 0.00 C ATOM 1002 O GLU A 73 11.224 -2.660 14.156 1.00 0.00 O ATOM 1003 CB GLU A 73 8.433 -3.875 12.997 1.00 0.00 C ATOM 1004 CG GLU A 73 6.925 -3.809 12.792 1.00 0.00 C ATOM 1005 CD GLU A 73 6.390 -5.181 12.408 1.00 0.00 C ATOM 1006 OE1 GLU A 73 5.187 -5.300 12.241 1.00 0.00 O ATOM 1007 OE2 GLU A 73 7.189 -6.093 12.283 1.00 0.00 O ATOM 0 H GLU A 73 7.683 -1.740 11.974 1.00 0.00 H new ATOM 0 HA GLU A 73 8.726 -2.407 14.546 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.928 -4.147 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.681 -4.646 13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.441 -3.464 13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.687 -3.086 12.012 1.00 0.00 H new ATOM 1014 N ARG A 74 10.803 -2.082 12.025 1.00 0.00 N ATOM 1015 CA ARG A 74 12.209 -1.975 11.681 1.00 0.00 C ATOM 1016 C ARG A 74 12.876 -0.884 12.506 1.00 0.00 C ATOM 1017 O ARG A 74 14.020 -1.031 12.935 1.00 0.00 O ATOM 1018 CB ARG A 74 12.360 -1.658 10.192 1.00 0.00 C ATOM 1019 CG ARG A 74 11.972 -2.884 9.362 1.00 0.00 C ATOM 1020 CD ARG A 74 12.089 -2.550 7.875 1.00 0.00 C ATOM 1021 NE ARG A 74 11.692 -3.697 7.067 1.00 0.00 N ATOM 1022 CZ ARG A 74 12.566 -4.639 6.728 1.00 0.00 C ATOM 1023 NH1 ARG A 74 13.808 -4.548 7.116 1.00 0.00 N ATOM 1024 NH2 ARG A 74 12.181 -5.655 6.006 1.00 0.00 N ATOM 0 H ARG A 74 10.159 -1.878 11.260 1.00 0.00 H new ATOM 0 HA ARG A 74 12.692 -2.927 11.898 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.728 -0.811 9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.388 -1.370 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.621 -3.724 9.609 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.952 -3.189 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.459 -1.693 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.115 -2.267 7.638 1.00 0.00 H new ATOM 0 HE ARG A 74 10.724 -3.778 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.109 -3.753 7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.478 -5.272 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.210 -5.726 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.851 -6.378 5.745 1.00 0.00 H new