USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= 0.828 K(o=1.8,f=-2.8) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -168:sc= 0.962 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -174:sc= -0.0423 (180deg=-0.144) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0.037 (180deg=-0.00612) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.18) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.03) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.748 K(o=0.75,f=-0.015) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -179:sc= 0 (180deg=-0.000285) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 58 SER OG : rot 180:sc= 0.364 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.082 11.831 -4.937 1.00 0.00 N ATOM 35 CA LEU A 3 -9.070 12.300 -5.888 1.00 0.00 C ATOM 36 C LEU A 3 -9.327 11.925 -7.359 1.00 0.00 C ATOM 37 O LEU A 3 -10.260 11.186 -7.698 1.00 0.00 O ATOM 38 CB LEU A 3 -7.699 11.786 -5.403 1.00 0.00 C ATOM 39 CG LEU A 3 -7.231 12.405 -4.073 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.789 11.991 -3.789 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.267 13.929 -4.116 1.00 0.00 C ATOM 0 HA LEU A 3 -9.108 13.389 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.748 10.703 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.953 11.993 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.908 12.047 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.463 12.432 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.729 10.905 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.145 12.341 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.930 14.328 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.611 14.286 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.286 14.264 -4.310 1.00 0.00 H new ATOM 52 N THR A 4 -8.485 12.474 -8.239 1.00 0.00 N ATOM 53 CA THR A 4 -8.517 12.261 -9.703 1.00 0.00 C ATOM 54 C THR A 4 -8.049 10.851 -10.108 1.00 0.00 C ATOM 55 O THR A 4 -7.883 9.964 -9.264 1.00 0.00 O ATOM 56 CB THR A 4 -7.702 13.336 -10.450 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.339 13.246 -10.102 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.199 14.754 -10.179 1.00 0.00 C ATOM 0 H THR A 4 -7.734 13.101 -7.950 1.00 0.00 H new ATOM 0 HA THR A 4 -9.562 12.352 -9.999 1.00 0.00 H new ATOM 0 HB THR A 4 -7.834 13.140 -11.514 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.832 13.932 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.586 15.466 -10.732 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.237 14.843 -10.499 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.129 14.967 -9.112 1.00 0.00 H new ATOM 66 N GLN A 5 -7.820 10.630 -11.409 1.00 0.00 N ATOM 67 CA GLN A 5 -7.242 9.401 -11.973 1.00 0.00 C ATOM 68 C GLN A 5 -5.957 8.920 -11.272 1.00 0.00 C ATOM 69 O GLN A 5 -5.660 7.723 -11.294 1.00 0.00 O ATOM 70 CB GLN A 5 -7.007 9.593 -13.479 1.00 0.00 C ATOM 71 CG GLN A 5 -5.920 10.625 -13.840 1.00 0.00 C ATOM 72 CD GLN A 5 -5.740 10.748 -15.353 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.838 10.170 -15.951 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.582 11.500 -16.034 1.00 0.00 N ATOM 0 H GLN A 5 -8.039 11.325 -12.123 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.969 8.607 -11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.734 8.632 -13.915 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.945 9.898 -13.942 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.188 11.597 -13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.974 10.333 -13.383 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.337 11.987 -15.551 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.479 11.595 -17.044 1.00 0.00 H new ATOM 81 N GLY A 6 -5.212 9.826 -10.622 1.00 0.00 N ATOM 82 CA GLY A 6 -4.093 9.456 -9.767 1.00 0.00 C ATOM 83 C GLY A 6 -3.419 10.608 -9.031 1.00 0.00 C ATOM 84 O GLY A 6 -2.194 10.652 -9.021 1.00 0.00 O ATOM 0 H GLY A 6 -5.374 10.831 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.445 8.734 -9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.344 8.950 -10.377 1.00 0.00 H new ATOM 88 N GLU A 7 -4.147 11.536 -8.395 1.00 0.00 N ATOM 89 CA GLU A 7 -3.573 12.660 -7.643 1.00 0.00 C ATOM 90 C GLU A 7 -2.676 12.212 -6.474 1.00 0.00 C ATOM 91 O GLU A 7 -1.834 12.978 -6.024 1.00 0.00 O ATOM 92 CB GLU A 7 -4.696 13.607 -7.168 1.00 0.00 C ATOM 93 CG GLU A 7 -4.531 15.003 -7.780 1.00 0.00 C ATOM 94 CD GLU A 7 -5.485 16.051 -7.179 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.717 15.821 -7.138 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.009 17.140 -6.771 1.00 0.00 O ATOM 0 H GLU A 7 -5.167 11.527 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.916 13.203 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.666 13.196 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.681 13.678 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.503 15.335 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.700 14.943 -8.855 1.00 0.00 H new ATOM 101 N LEU A 8 -2.777 10.953 -6.041 1.00 0.00 N ATOM 102 CA LEU A 8 -1.867 10.328 -5.073 1.00 0.00 C ATOM 103 C LEU A 8 -0.953 9.262 -5.720 1.00 0.00 C ATOM 104 O LEU A 8 0.103 8.941 -5.182 1.00 0.00 O ATOM 105 CB LEU A 8 -2.713 9.830 -3.882 1.00 0.00 C ATOM 106 CG LEU A 8 -3.506 8.529 -4.138 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.775 7.358 -3.481 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.917 8.549 -3.547 1.00 0.00 C ATOM 0 H LEU A 8 -3.512 10.322 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.151 11.056 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.053 9.673 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.415 10.615 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.582 8.431 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.330 6.437 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.776 7.267 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.697 7.534 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.416 7.605 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.857 8.688 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.484 9.369 -3.987 1.00 0.00 H new ATOM 119 N MET A 9 -1.307 8.750 -6.905 1.00 0.00 N ATOM 120 CA MET A 9 -0.608 7.672 -7.612 1.00 0.00 C ATOM 121 C MET A 9 0.726 8.172 -8.150 1.00 0.00 C ATOM 122 O MET A 9 1.789 7.722 -7.727 1.00 0.00 O ATOM 123 CB MET A 9 -1.535 7.075 -8.702 1.00 0.00 C ATOM 124 CG MET A 9 -0.900 6.730 -10.056 1.00 0.00 C ATOM 125 SD MET A 9 -1.964 5.834 -11.223 1.00 0.00 S ATOM 126 CE MET A 9 -2.134 4.222 -10.402 1.00 0.00 C ATOM 0 H MET A 9 -2.121 9.090 -7.417 1.00 0.00 H new ATOM 0 HA MET A 9 -0.370 6.860 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.987 6.168 -8.301 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.345 7.782 -8.880 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.573 7.656 -10.529 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.007 6.132 -9.875 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.673 3.536 -11.056 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.145 3.817 -10.187 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.686 4.345 -9.470 1.00 0.00 H new ATOM 134 N LYS A 10 0.683 9.143 -9.061 1.00 0.00 N ATOM 135 CA LYS A 10 1.852 9.639 -9.811 1.00 0.00 C ATOM 136 C LYS A 10 2.767 10.565 -8.984 1.00 0.00 C ATOM 137 O LYS A 10 3.555 11.334 -9.537 1.00 0.00 O ATOM 138 CB LYS A 10 1.340 10.211 -11.148 1.00 0.00 C ATOM 139 CG LYS A 10 0.349 11.380 -11.007 1.00 0.00 C ATOM 140 CD LYS A 10 -0.799 11.328 -12.028 1.00 0.00 C ATOM 141 CE LYS A 10 -1.418 12.709 -12.265 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.005 13.288 -11.030 1.00 0.00 N ATOM 0 H LYS A 10 -0.182 9.622 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 10 2.536 8.822 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.195 10.545 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.860 9.410 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.068 11.374 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.888 12.320 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.427 10.930 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.568 10.642 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.655 13.384 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.191 12.631 -13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.961 13.644 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.058 12.555 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.408 14.071 -10.696 1.00 0.00 H new ATOM 152 N LEU A 11 2.637 10.491 -7.655 1.00 0.00 N ATOM 153 CA LEU A 11 3.223 11.329 -6.612 1.00 0.00 C ATOM 154 C LEU A 11 3.921 10.472 -5.559 1.00 0.00 C ATOM 155 O LEU A 11 4.999 10.856 -5.099 1.00 0.00 O ATOM 156 CB LEU A 11 2.137 12.164 -5.895 1.00 0.00 C ATOM 157 CG LEU A 11 1.438 13.279 -6.690 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.444 14.282 -7.249 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.603 12.734 -7.843 1.00 0.00 C ATOM 0 H LEU A 11 2.055 9.762 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 11 3.940 11.989 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.369 11.477 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.592 12.617 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 11 0.776 13.777 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.915 15.056 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.997 14.739 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.139 13.768 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.130 13.561 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.246 12.184 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.165 12.067 -7.452 1.00 0.00 H new ATOM 170 N ILE A 12 3.355 9.312 -5.182 1.00 0.00 N ATOM 171 CA ILE A 12 3.975 8.508 -4.112 1.00 0.00 C ATOM 172 C ILE A 12 5.352 7.980 -4.526 1.00 0.00 C ATOM 173 O ILE A 12 6.279 7.951 -3.717 1.00 0.00 O ATOM 174 CB ILE A 12 3.084 7.340 -3.653 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.496 6.515 -4.816 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.966 7.833 -2.732 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.619 5.026 -4.510 1.00 0.00 C ATOM 0 H ILE A 12 2.503 8.921 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 12 4.097 9.185 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 12 3.740 6.668 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.449 6.779 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.021 6.750 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.351 6.988 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.402 8.307 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.348 8.556 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.202 4.449 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.670 4.767 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.073 4.796 -3.595 1.00 0.00 H new ATOM 188 N LYS A 13 5.523 7.634 -5.807 1.00 0.00 N ATOM 189 CA LYS A 13 6.812 7.136 -6.334 1.00 0.00 C ATOM 190 C LYS A 13 7.775 8.255 -6.738 1.00 0.00 C ATOM 191 O LYS A 13 8.958 8.025 -6.964 1.00 0.00 O ATOM 192 CB LYS A 13 6.559 6.113 -7.458 1.00 0.00 C ATOM 193 CG LYS A 13 5.726 6.597 -8.657 1.00 0.00 C ATOM 194 CD LYS A 13 6.517 7.404 -9.699 1.00 0.00 C ATOM 195 CE LYS A 13 5.597 7.816 -10.855 1.00 0.00 C ATOM 196 NZ LYS A 13 6.330 8.620 -11.864 1.00 0.00 N ATOM 0 H LYS A 13 4.783 7.688 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 13 7.329 6.622 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.525 5.771 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.059 5.247 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.282 5.731 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.904 7.211 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.948 8.290 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.347 6.808 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.182 6.926 -11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.757 8.392 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.651 9.053 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.873 9.367 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.980 8.004 -12.393 1.00 0.00 H new ATOM 206 N GLU A 14 7.275 9.481 -6.805 1.00 0.00 N ATOM 207 CA GLU A 14 7.928 10.678 -7.341 1.00 0.00 C ATOM 208 C GLU A 14 8.655 11.471 -6.245 1.00 0.00 C ATOM 209 O GLU A 14 9.557 12.257 -6.541 1.00 0.00 O ATOM 210 CB GLU A 14 6.851 11.538 -8.031 1.00 0.00 C ATOM 211 CG GLU A 14 7.390 12.548 -9.054 1.00 0.00 C ATOM 212 CD GLU A 14 8.122 11.878 -10.234 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.576 10.917 -10.831 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.245 12.315 -10.585 1.00 0.00 O ATOM 0 H GLU A 14 6.336 9.685 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 14 8.692 10.385 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.144 10.877 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.294 12.079 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.562 13.144 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.072 13.235 -8.553 1.00 0.00 H new ATOM 219 N ILE A 15 8.312 11.220 -4.975 1.00 0.00 N ATOM 220 CA ILE A 15 9.043 11.690 -3.799 1.00 0.00 C ATOM 221 C ILE A 15 9.863 10.542 -3.210 1.00 0.00 C ATOM 222 O ILE A 15 11.051 10.723 -2.959 1.00 0.00 O ATOM 223 CB ILE A 15 8.099 12.355 -2.770 1.00 0.00 C ATOM 224 CG1 ILE A 15 7.119 11.364 -2.097 1.00 0.00 C ATOM 225 CG2 ILE A 15 7.327 13.517 -3.417 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.589 10.978 -0.690 1.00 0.00 C ATOM 0 H ILE A 15 7.490 10.666 -4.734 1.00 0.00 H new ATOM 0 HA ILE A 15 9.741 12.472 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 15 8.739 12.739 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.127 11.813 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.028 10.467 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.668 13.972 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.032 14.263 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.733 13.140 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.877 10.281 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.569 10.506 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.655 11.872 -0.070 1.00 0.00 H new ATOM 237 N VAL A 16 9.293 9.339 -3.042 1.00 0.00 N ATOM 238 CA VAL A 16 10.001 8.252 -2.351 1.00 0.00 C ATOM 239 C VAL A 16 11.225 7.794 -3.144 1.00 0.00 C ATOM 240 O VAL A 16 12.272 7.521 -2.552 1.00 0.00 O ATOM 241 CB VAL A 16 9.087 7.053 -2.039 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.891 5.953 -1.340 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.945 7.429 -1.091 1.00 0.00 C ATOM 0 H VAL A 16 8.358 9.097 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 16 10.334 8.663 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 16 8.680 6.719 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.238 5.108 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.703 5.627 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.305 6.341 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.327 6.552 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.358 7.794 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.336 8.210 -1.547 1.00 0.00 H new ATOM 253 N GLU A 17 11.146 7.780 -4.482 1.00 0.00 N ATOM 254 CA GLU A 17 12.323 7.407 -5.297 1.00 0.00 C ATOM 255 C GLU A 17 13.341 8.555 -5.437 1.00 0.00 C ATOM 256 O GLU A 17 14.395 8.383 -6.055 1.00 0.00 O ATOM 257 CB GLU A 17 11.923 6.867 -6.683 1.00 0.00 C ATOM 258 CG GLU A 17 11.078 5.585 -6.633 1.00 0.00 C ATOM 259 CD GLU A 17 11.851 4.411 -6.011 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.776 3.864 -6.658 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.546 4.005 -4.866 1.00 0.00 O ATOM 0 H GLU A 17 10.309 8.014 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 17 12.814 6.602 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.365 7.638 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.827 6.672 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.172 5.770 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.763 5.318 -7.642 1.00 0.00 H new ATOM 266 N ASN A 18 13.048 9.720 -4.852 1.00 0.00 N ATOM 267 CA ASN A 18 13.852 10.927 -4.918 1.00 0.00 C ATOM 268 C ASN A 18 14.580 11.238 -3.597 1.00 0.00 C ATOM 269 O ASN A 18 15.515 12.042 -3.591 1.00 0.00 O ATOM 270 CB ASN A 18 12.913 12.074 -5.330 1.00 0.00 C ATOM 271 CG ASN A 18 13.629 13.089 -6.189 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.894 14.221 -5.806 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.964 12.693 -7.397 1.00 0.00 N ATOM 0 H ASN A 18 12.203 9.845 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 18 14.648 10.793 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.060 11.670 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.519 12.562 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.450 13.332 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.738 11.747 -7.705 1.00 0.00 H new ATOM 279 N GLU A 19 14.173 10.612 -2.484 1.00 0.00 N ATOM 280 CA GLU A 19 14.645 10.952 -1.139 1.00 0.00 C ATOM 281 C GLU A 19 15.760 10.017 -0.658 1.00 0.00 C ATOM 282 O GLU A 19 16.938 10.261 -0.935 1.00 0.00 O ATOM 283 CB GLU A 19 13.445 10.990 -0.175 1.00 0.00 C ATOM 284 CG GLU A 19 12.489 12.159 -0.424 1.00 0.00 C ATOM 285 CD GLU A 19 13.093 13.501 0.022 1.00 0.00 C ATOM 286 OE1 GLU A 19 13.064 13.798 1.242 1.00 0.00 O ATOM 287 OE2 GLU A 19 13.596 14.269 -0.834 1.00 0.00 O ATOM 0 H GLU A 19 13.499 9.847 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 19 15.098 11.943 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.891 10.055 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.815 11.047 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.243 12.207 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.556 11.985 0.112 1.00 0.00 H new ATOM 292 N ASP A 20 15.407 8.949 0.056 1.00 0.00 N ATOM 293 CA ASP A 20 16.340 7.964 0.590 1.00 0.00 C ATOM 294 C ASP A 20 15.806 6.550 0.367 1.00 0.00 C ATOM 295 O ASP A 20 15.109 5.974 1.203 1.00 0.00 O ATOM 296 CB ASP A 20 16.657 8.230 2.073 1.00 0.00 C ATOM 297 CG ASP A 20 17.724 9.316 2.252 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.912 9.024 1.974 1.00 0.00 O ATOM 299 OD2 ASP A 20 17.395 10.436 2.718 1.00 0.00 O ATOM 0 H ASP A 20 14.435 8.741 0.284 1.00 0.00 H new ATOM 0 HA ASP A 20 17.281 8.057 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.745 8.530 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.999 7.307 2.541 1.00 0.00 H new ATOM 303 N LYS A 21 16.198 5.951 -0.758 1.00 0.00 N ATOM 304 CA LYS A 21 16.041 4.506 -1.015 1.00 0.00 C ATOM 305 C LYS A 21 16.753 3.627 0.036 1.00 0.00 C ATOM 306 O LYS A 21 16.383 2.468 0.226 1.00 0.00 O ATOM 307 CB LYS A 21 16.523 4.171 -2.437 1.00 0.00 C ATOM 308 CG LYS A 21 15.858 5.038 -3.520 1.00 0.00 C ATOM 309 CD LYS A 21 16.020 4.420 -4.916 1.00 0.00 C ATOM 310 CE LYS A 21 15.648 5.448 -5.988 1.00 0.00 C ATOM 311 NZ LYS A 21 15.325 4.802 -7.283 1.00 0.00 N ATOM 0 H LYS A 21 16.639 6.454 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 21 14.979 4.275 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.604 4.302 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.319 3.121 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.798 5.155 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.298 6.035 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.048 4.088 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.385 3.539 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.792 6.032 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.475 6.145 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.444 5.490 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.964 3.996 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.341 4.466 -7.267 1.00 0.00 H new ATOM 321 N ARG A 22 17.730 4.197 0.759 1.00 0.00 N ATOM 322 CA ARG A 22 18.422 3.642 1.943 1.00 0.00 C ATOM 323 C ARG A 22 17.567 3.643 3.223 1.00 0.00 C ATOM 324 O ARG A 22 17.871 2.896 4.157 1.00 0.00 O ATOM 325 CB ARG A 22 19.711 4.440 2.232 1.00 0.00 C ATOM 326 CG ARG A 22 20.741 4.498 1.085 1.00 0.00 C ATOM 327 CD ARG A 22 20.568 5.677 0.110 1.00 0.00 C ATOM 328 NE ARG A 22 20.691 6.988 0.778 1.00 0.00 N ATOM 329 CZ ARG A 22 21.787 7.666 1.063 1.00 0.00 C ATOM 330 NH1 ARG A 22 22.984 7.235 0.771 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.682 8.812 1.664 1.00 0.00 N ATOM 0 H ARG A 22 18.085 5.122 0.518 1.00 0.00 H new ATOM 0 HA ARG A 22 18.640 2.605 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.432 5.460 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.195 4.006 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.740 4.548 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.684 3.568 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.316 5.604 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.591 5.607 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 22 19.813 7.428 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 22 23.102 6.337 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.801 7.796 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.762 9.177 1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.520 9.348 1.891 1.00 0.00 H new ATOM 342 N LYS A 23 16.518 4.477 3.277 1.00 0.00 N ATOM 343 CA LYS A 23 15.605 4.699 4.416 1.00 0.00 C ATOM 344 C LYS A 23 14.183 5.012 3.893 1.00 0.00 C ATOM 345 O LYS A 23 13.759 6.175 3.938 1.00 0.00 O ATOM 346 CB LYS A 23 16.138 5.845 5.309 1.00 0.00 C ATOM 347 CG LYS A 23 17.515 5.583 5.945 1.00 0.00 C ATOM 348 CD LYS A 23 17.946 6.704 6.902 1.00 0.00 C ATOM 349 CE LYS A 23 18.206 8.022 6.156 1.00 0.00 C ATOM 350 NZ LYS A 23 18.681 9.084 7.079 1.00 0.00 N ATOM 0 H LYS A 23 16.265 5.054 2.475 1.00 0.00 H new ATOM 0 HA LYS A 23 15.555 3.795 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.197 6.755 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.416 6.032 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.487 4.638 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.261 5.476 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.172 6.858 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.849 6.402 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.948 7.859 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.291 8.349 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.847 9.960 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.962 9.256 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.568 8.781 7.530 1.00 0.00 H new ATOM 360 N PRO A 24 13.446 4.019 3.357 1.00 0.00 N ATOM 361 CA PRO A 24 12.205 4.261 2.619 1.00 0.00 C ATOM 362 C PRO A 24 11.073 4.771 3.527 1.00 0.00 C ATOM 363 O PRO A 24 11.039 4.480 4.727 1.00 0.00 O ATOM 364 CB PRO A 24 11.858 2.903 1.995 1.00 0.00 C ATOM 365 CG PRO A 24 12.420 1.902 3.004 1.00 0.00 C ATOM 366 CD PRO A 24 13.702 2.587 3.468 1.00 0.00 C ATOM 0 HA PRO A 24 12.330 5.043 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.783 2.783 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.314 2.783 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.731 1.728 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.620 0.933 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.944 2.311 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.550 2.292 2.850 1.00 0.00 H new ATOM 371 N TYR A 25 10.103 5.485 2.945 1.00 0.00 N ATOM 372 CA TYR A 25 8.816 5.758 3.596 1.00 0.00 C ATOM 373 C TYR A 25 7.929 4.501 3.567 1.00 0.00 C ATOM 374 O TYR A 25 8.187 3.540 2.830 1.00 0.00 O ATOM 375 CB TYR A 25 8.081 6.941 2.941 1.00 0.00 C ATOM 376 CG TYR A 25 8.830 8.263 2.881 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.860 8.477 1.943 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.446 9.309 3.739 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.501 9.726 1.852 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.100 10.552 3.677 1.00 0.00 C ATOM 381 CZ TYR A 25 10.128 10.768 2.733 1.00 0.00 C ATOM 382 OH TYR A 25 10.736 11.985 2.689 1.00 0.00 O ATOM 0 H TYR A 25 10.187 5.889 2.012 1.00 0.00 H new ATOM 0 HA TYR A 25 9.023 6.031 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.815 6.655 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.148 7.103 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.160 7.673 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.646 9.157 4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.273 9.888 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.815 11.344 4.353 1.00 0.00 H new ATOM 0 HH TYR A 25 10.344 12.571 3.370 1.00 0.00 H new ATOM 391 N SER A 26 6.831 4.539 4.315 1.00 0.00 N ATOM 392 CA SER A 26 5.845 3.459 4.431 1.00 0.00 C ATOM 393 C SER A 26 4.465 3.985 4.082 1.00 0.00 C ATOM 394 O SER A 26 4.273 5.197 3.986 1.00 0.00 O ATOM 395 CB SER A 26 5.858 2.875 5.847 1.00 0.00 C ATOM 396 OG SER A 26 5.536 3.843 6.834 1.00 0.00 O ATOM 0 H SER A 26 6.590 5.353 4.881 1.00 0.00 H new ATOM 0 HA SER A 26 6.105 2.663 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.146 2.051 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.844 2.460 6.057 1.00 0.00 H new ATOM 0 HG SER A 26 5.555 3.425 7.720 1.00 0.00 H new ATOM 401 N ASP A 27 3.492 3.100 3.908 1.00 0.00 N ATOM 402 CA ASP A 27 2.103 3.465 3.657 1.00 0.00 C ATOM 403 C ASP A 27 1.501 4.431 4.707 1.00 0.00 C ATOM 404 O ASP A 27 0.729 5.314 4.346 1.00 0.00 O ATOM 405 CB ASP A 27 1.273 2.196 3.416 1.00 0.00 C ATOM 406 CG ASP A 27 1.234 1.171 4.573 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.638 1.478 5.720 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.714 0.055 4.341 1.00 0.00 O ATOM 0 H ASP A 27 3.648 2.092 3.938 1.00 0.00 H new ATOM 0 HA ASP A 27 2.072 4.061 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.250 2.495 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.663 1.696 2.529 1.00 0.00 H new ATOM 412 N GLN A 28 1.899 4.382 5.983 1.00 0.00 N ATOM 413 CA GLN A 28 1.564 5.425 6.950 1.00 0.00 C ATOM 414 C GLN A 28 2.285 6.739 6.605 1.00 0.00 C ATOM 415 O GLN A 28 1.653 7.789 6.491 1.00 0.00 O ATOM 416 CB GLN A 28 1.891 4.933 8.372 1.00 0.00 C ATOM 417 CG GLN A 28 1.790 6.026 9.448 1.00 0.00 C ATOM 418 CD GLN A 28 0.411 6.689 9.541 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.467 6.252 10.275 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.164 7.766 8.819 1.00 0.00 N ATOM 0 H GLN A 28 2.459 3.622 6.370 1.00 0.00 H new ATOM 0 HA GLN A 28 0.495 5.635 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.212 4.120 8.629 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.900 4.521 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.038 5.591 10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.537 6.793 9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.884 8.143 8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.747 8.221 8.877 1.00 0.00 H new ATOM 427 N GLU A 29 3.608 6.723 6.475 1.00 0.00 N ATOM 428 CA GLU A 29 4.391 7.933 6.284 1.00 0.00 C ATOM 429 C GLU A 29 4.017 8.686 5.002 1.00 0.00 C ATOM 430 O GLU A 29 3.699 9.871 5.089 1.00 0.00 O ATOM 431 CB GLU A 29 5.879 7.583 6.360 1.00 0.00 C ATOM 432 CG GLU A 29 6.352 7.125 7.747 1.00 0.00 C ATOM 433 CD GLU A 29 6.300 8.264 8.782 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.263 9.066 8.860 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.299 8.366 9.533 1.00 0.00 O ATOM 0 H GLU A 29 4.165 5.869 6.500 1.00 0.00 H new ATOM 0 HA GLU A 29 4.158 8.632 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.092 6.794 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.461 8.455 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.729 6.298 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.372 6.747 7.675 1.00 0.00 H new ATOM 440 N ILE A 30 3.952 8.028 3.837 1.00 0.00 N ATOM 441 CA ILE A 30 3.466 8.654 2.597 1.00 0.00 C ATOM 442 C ILE A 30 2.028 9.158 2.727 1.00 0.00 C ATOM 443 O ILE A 30 1.747 10.259 2.257 1.00 0.00 O ATOM 444 CB ILE A 30 3.683 7.788 1.337 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.769 6.551 1.286 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.166 7.422 1.206 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.089 5.554 0.165 1.00 0.00 C ATOM 0 H ILE A 30 4.232 7.054 3.726 1.00 0.00 H new ATOM 0 HA ILE A 30 4.094 9.532 2.448 1.00 0.00 H new ATOM 0 HB ILE A 30 3.394 8.385 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.832 6.032 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.738 6.884 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.313 6.811 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.760 8.332 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.482 6.862 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.392 4.718 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.996 6.050 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.107 5.184 0.286 1.00 0.00 H new ATOM 458 N ALA A 31 1.139 8.443 3.430 1.00 0.00 N ATOM 459 CA ALA A 31 -0.237 8.933 3.623 1.00 0.00 C ATOM 460 C ALA A 31 -0.266 10.259 4.409 1.00 0.00 C ATOM 461 O ALA A 31 -1.088 11.139 4.144 1.00 0.00 O ATOM 462 CB ALA A 31 -1.062 7.873 4.358 1.00 0.00 C ATOM 0 H ALA A 31 1.339 7.543 3.867 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.668 9.122 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.079 8.238 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.084 6.956 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.611 7.670 5.329 1.00 0.00 H new ATOM 468 N ASN A 32 0.653 10.414 5.366 1.00 0.00 N ATOM 469 CA ASN A 32 0.753 11.584 6.231 1.00 0.00 C ATOM 470 C ASN A 32 1.190 12.844 5.474 1.00 0.00 C ATOM 471 O ASN A 32 0.521 13.870 5.556 1.00 0.00 O ATOM 472 CB ASN A 32 1.703 11.248 7.385 1.00 0.00 C ATOM 473 CG ASN A 32 1.764 12.359 8.416 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.817 12.603 9.153 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.865 13.069 8.507 1.00 0.00 N ATOM 0 H ASN A 32 1.364 9.710 5.562 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.235 11.820 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.377 10.326 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.702 11.065 6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.931 13.823 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.654 12.867 7.894 1.00 0.00 H new ATOM 481 N ILE A 33 2.294 12.793 4.726 1.00 0.00 N ATOM 482 CA ILE A 33 2.831 13.970 4.005 1.00 0.00 C ATOM 483 C ILE A 33 1.859 14.461 2.918 1.00 0.00 C ATOM 484 O ILE A 33 1.733 15.660 2.667 1.00 0.00 O ATOM 485 CB ILE A 33 4.197 13.641 3.374 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.186 13.015 4.386 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.856 14.867 2.731 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.716 11.710 3.802 1.00 0.00 C ATOM 0 H ILE A 33 2.845 11.944 4.597 1.00 0.00 H new ATOM 0 HA ILE A 33 2.956 14.770 4.735 1.00 0.00 H new ATOM 0 HB ILE A 33 3.978 12.908 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.008 13.702 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.687 12.829 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.816 14.581 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.209 15.258 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.012 15.635 3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.415 11.255 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.885 11.027 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.227 11.914 2.861 1.00 0.00 H new ATOM 499 N LEU A 34 1.115 13.536 2.306 1.00 0.00 N ATOM 500 CA LEU A 34 0.077 13.800 1.306 1.00 0.00 C ATOM 501 C LEU A 34 -1.112 14.581 1.880 1.00 0.00 C ATOM 502 O LEU A 34 -1.825 15.274 1.145 1.00 0.00 O ATOM 503 CB LEU A 34 -0.368 12.448 0.715 1.00 0.00 C ATOM 504 CG LEU A 34 0.416 11.975 -0.529 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.921 12.262 -0.493 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.202 10.474 -0.733 1.00 0.00 C ATOM 0 H LEU A 34 1.224 12.541 2.502 1.00 0.00 H new ATOM 0 HA LEU A 34 0.490 14.437 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.280 11.686 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.424 12.516 0.453 1.00 0.00 H new ATOM 0 HG LEU A 34 0.017 12.557 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.384 11.893 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.085 13.337 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.367 11.760 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.756 10.144 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.557 9.933 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.860 10.274 -0.878 1.00 0.00 H new ATOM 517 N LYS A 35 -1.294 14.535 3.201 1.00 0.00 N ATOM 518 CA LYS A 35 -2.337 15.310 3.890 1.00 0.00 C ATOM 519 C LYS A 35 -1.932 16.771 4.111 1.00 0.00 C ATOM 520 O LYS A 35 -2.789 17.609 4.392 1.00 0.00 O ATOM 521 CB LYS A 35 -2.748 14.577 5.184 1.00 0.00 C ATOM 522 CG LYS A 35 -2.172 15.193 6.471 1.00 0.00 C ATOM 523 CD LYS A 35 -2.208 14.210 7.644 1.00 0.00 C ATOM 524 CE LYS A 35 -1.710 14.911 8.912 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.557 13.957 10.036 1.00 0.00 N ATOM 0 H LYS A 35 -0.726 13.962 3.825 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.217 15.370 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.836 14.570 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.426 13.538 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.144 15.508 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.739 16.087 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.223 13.842 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.584 13.343 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.754 15.394 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.411 15.697 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.418 14.484 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.412 13.371 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.733 13.346 9.863 1.00 0.00 H new ATOM 535 N GLU A 36 -0.641 17.087 3.971 1.00 0.00 N ATOM 536 CA GLU A 36 -0.114 18.429 4.223 1.00 0.00 C ATOM 537 C GLU A 36 -0.222 19.328 2.986 1.00 0.00 C ATOM 538 O GLU A 36 -0.060 20.547 3.116 1.00 0.00 O ATOM 539 CB GLU A 36 1.350 18.363 4.697 1.00 0.00 C ATOM 540 CG GLU A 36 1.536 17.511 5.960 1.00 0.00 C ATOM 541 CD GLU A 36 2.947 17.700 6.547 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.908 17.040 6.078 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.109 18.514 7.492 1.00 0.00 O ATOM 0 H GLU A 36 0.069 16.416 3.679 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.725 18.868 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.967 17.955 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.709 19.374 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.788 17.787 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.375 16.460 5.721 1.00 0.00 H new ATOM 548 N LYS A 37 -0.487 18.757 1.794 1.00 0.00 N ATOM 549 CA LYS A 37 -0.339 19.495 0.525 1.00 0.00 C ATOM 550 C LYS A 37 -1.520 19.445 -0.448 1.00 0.00 C ATOM 551 O LYS A 37 -1.704 20.429 -1.171 1.00 0.00 O ATOM 552 CB LYS A 37 0.997 19.119 -0.122 1.00 0.00 C ATOM 553 CG LYS A 37 1.105 17.618 -0.436 1.00 0.00 C ATOM 554 CD LYS A 37 2.507 17.265 -0.948 1.00 0.00 C ATOM 555 CE LYS A 37 3.480 17.236 0.236 1.00 0.00 C ATOM 556 NZ LYS A 37 4.892 17.148 -0.214 1.00 0.00 N ATOM 0 H LYS A 37 -0.803 17.793 1.684 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.340 20.551 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.122 19.688 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.811 19.406 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.884 17.038 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.361 17.344 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.492 16.296 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.834 17.998 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.346 18.134 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.249 16.385 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.520 17.131 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.026 16.278 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.120 17.973 -0.804 1.00 0.00 H new ATOM 566 N GLY A 38 -2.370 18.408 -0.439 1.00 0.00 N ATOM 567 CA GLY A 38 -3.675 18.530 -1.107 1.00 0.00 C ATOM 568 C GLY A 38 -4.445 17.243 -1.366 1.00 0.00 C ATOM 569 O GLY A 38 -5.431 17.280 -2.108 1.00 0.00 O ATOM 0 H GLY A 38 -2.189 17.508 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.304 19.185 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.520 19.030 -2.063 1.00 0.00 H new ATOM 573 N PHE A 39 -4.017 16.110 -0.802 1.00 0.00 N ATOM 574 CA PHE A 39 -4.513 14.795 -1.204 1.00 0.00 C ATOM 575 C PHE A 39 -5.338 14.133 -0.119 1.00 0.00 C ATOM 576 O PHE A 39 -6.338 13.472 -0.417 1.00 0.00 O ATOM 577 CB PHE A 39 -3.348 13.896 -1.615 1.00 0.00 C ATOM 578 CG PHE A 39 -2.417 14.570 -2.591 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.871 14.873 -3.885 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.131 14.953 -2.185 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.031 15.549 -4.785 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.283 15.612 -3.092 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.730 15.913 -4.392 1.00 0.00 C ATOM 0 H PHE A 39 -3.320 16.080 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.173 14.944 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.788 13.603 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.738 12.982 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.867 14.586 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.794 14.743 -1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.383 15.789 -5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.716 15.889 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.077 16.422 -5.086 1.00 0.00 H new ATOM 592 N LYS A 40 -4.934 14.345 1.142 1.00 0.00 N ATOM 593 CA LYS A 40 -5.567 13.931 2.360 1.00 0.00 C ATOM 594 C LYS A 40 -6.149 12.515 2.284 1.00 0.00 C ATOM 595 O LYS A 40 -7.282 12.257 2.691 1.00 0.00 O ATOM 596 CB LYS A 40 -6.487 15.112 2.696 1.00 0.00 C ATOM 597 CG LYS A 40 -6.452 15.387 4.194 1.00 0.00 C ATOM 598 CD LYS A 40 -7.816 15.670 4.830 1.00 0.00 C ATOM 599 CE LYS A 40 -8.748 14.463 4.689 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.993 14.642 5.478 1.00 0.00 N ATOM 0 H LYS A 40 -4.074 14.860 1.330 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.899 13.764 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.170 15.999 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.507 14.890 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.005 14.529 4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.798 16.240 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.686 15.913 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.269 16.541 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.000 14.317 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.232 13.562 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.602 13.807 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.753 14.757 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.497 15.488 5.144 1.00 0.00 H new ATOM 610 N VAL A 41 -5.335 11.631 1.698 1.00 0.00 N ATOM 611 CA VAL A 41 -5.575 10.186 1.527 1.00 0.00 C ATOM 612 C VAL A 41 -4.982 9.428 2.735 1.00 0.00 C ATOM 613 O VAL A 41 -3.944 9.810 3.282 1.00 0.00 O ATOM 614 CB VAL A 41 -5.037 9.682 0.164 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.569 10.090 -0.049 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.073 8.157 0.005 1.00 0.00 C ATOM 0 H VAL A 41 -4.438 11.917 1.306 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.647 9.990 1.505 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.704 10.143 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.225 9.720 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.486 11.177 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.954 9.663 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.680 7.884 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.463 7.696 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.101 7.806 0.095 1.00 0.00 H new ATOM 626 N ALA A 42 -5.640 8.357 3.164 1.00 0.00 N ATOM 627 CA ALA A 42 -5.271 7.427 4.223 1.00 0.00 C ATOM 628 C ALA A 42 -4.421 6.250 3.715 1.00 0.00 C ATOM 629 O ALA A 42 -4.278 5.973 2.520 1.00 0.00 O ATOM 630 CB ALA A 42 -6.551 6.894 4.882 1.00 0.00 C ATOM 0 H ALA A 42 -6.529 8.094 2.738 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.659 7.970 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.288 6.196 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.117 7.725 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.158 6.381 4.136 1.00 0.00 H new ATOM 636 N ARG A 43 -3.902 5.486 4.671 1.00 0.00 N ATOM 637 CA ARG A 43 -2.989 4.363 4.464 1.00 0.00 C ATOM 638 C ARG A 43 -3.561 3.250 3.597 1.00 0.00 C ATOM 639 O ARG A 43 -2.825 2.643 2.824 1.00 0.00 O ATOM 640 CB ARG A 43 -2.548 3.868 5.848 1.00 0.00 C ATOM 641 CG ARG A 43 -1.521 2.729 5.819 1.00 0.00 C ATOM 642 CD ARG A 43 -2.044 1.290 5.677 1.00 0.00 C ATOM 643 NE ARG A 43 -3.020 0.881 6.701 1.00 0.00 N ATOM 644 CZ ARG A 43 -3.523 -0.336 6.797 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.201 -1.284 5.966 1.00 0.00 N ATOM 646 NH2 ARG A 43 -4.371 -0.650 7.729 1.00 0.00 N ATOM 0 H ARG A 43 -4.115 5.638 5.657 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.128 4.708 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.126 4.706 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.428 3.533 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.835 2.918 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.936 2.783 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.503 1.181 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.196 0.606 5.710 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.326 1.580 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.541 -1.098 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.609 -2.213 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.664 0.051 8.409 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.744 -1.598 7.781 1.00 0.00 H new ATOM 657 N ARG A 44 -4.867 3.001 3.677 1.00 0.00 N ATOM 658 CA ARG A 44 -5.544 1.862 3.037 1.00 0.00 C ATOM 659 C ARG A 44 -5.392 1.908 1.530 1.00 0.00 C ATOM 660 O ARG A 44 -5.229 0.893 0.852 1.00 0.00 O ATOM 661 CB ARG A 44 -7.032 1.938 3.393 1.00 0.00 C ATOM 662 CG ARG A 44 -7.793 0.620 3.189 1.00 0.00 C ATOM 663 CD ARG A 44 -7.282 -0.517 4.088 1.00 0.00 C ATOM 664 NE ARG A 44 -6.374 -1.441 3.377 1.00 0.00 N ATOM 665 CZ ARG A 44 -6.731 -2.425 2.573 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.969 -2.642 2.232 1.00 0.00 N ATOM 667 NH2 ARG A 44 -5.840 -3.239 2.095 1.00 0.00 N ATOM 0 H ARG A 44 -5.505 3.599 4.202 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.097 0.934 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.130 2.245 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.501 2.713 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.852 0.784 3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.708 0.316 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.762 -0.091 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.132 -1.077 4.477 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.374 -1.305 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.710 -2.039 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.198 -3.415 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.857 -3.120 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.123 -3.997 1.474 1.00 0.00 H new ATOM 678 N THR A 45 -5.465 3.132 1.033 1.00 0.00 N ATOM 679 CA THR A 45 -5.501 3.506 -0.361 1.00 0.00 C ATOM 680 C THR A 45 -4.091 3.632 -0.872 1.00 0.00 C ATOM 681 O THR A 45 -3.732 3.070 -1.905 1.00 0.00 O ATOM 682 CB THR A 45 -6.173 4.876 -0.448 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.287 4.899 0.409 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.600 5.187 -1.869 1.00 0.00 C ATOM 0 H THR A 45 -5.503 3.947 1.645 1.00 0.00 H new ATOM 0 HA THR A 45 -6.040 2.762 -0.948 1.00 0.00 H new ATOM 0 HB THR A 45 -5.456 5.638 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.721 5.776 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.075 6.168 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.726 5.187 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.307 4.431 -2.210 1.00 0.00 H new ATOM 692 N VAL A 46 -3.272 4.347 -0.101 1.00 0.00 N ATOM 693 CA VAL A 46 -1.915 4.665 -0.484 1.00 0.00 C ATOM 694 C VAL A 46 -1.062 3.386 -0.575 1.00 0.00 C ATOM 695 O VAL A 46 -0.176 3.282 -1.424 1.00 0.00 O ATOM 696 CB VAL A 46 -1.345 5.729 0.471 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.484 5.142 1.578 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.514 6.762 -0.285 1.00 0.00 C ATOM 0 H VAL A 46 -3.542 4.719 0.810 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.897 5.099 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.216 6.200 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.114 5.945 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.079 4.451 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.359 4.609 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.125 7.500 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.316 6.265 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.139 7.260 -1.026 1.00 0.00 H new ATOM 708 N ALA A 47 -1.380 2.385 0.261 1.00 0.00 N ATOM 709 CA ALA A 47 -0.735 1.080 0.305 1.00 0.00 C ATOM 710 C ALA A 47 -1.008 0.287 -0.974 1.00 0.00 C ATOM 711 O ALA A 47 -0.096 -0.258 -1.602 1.00 0.00 O ATOM 712 CB ALA A 47 -1.263 0.300 1.517 1.00 0.00 C ATOM 0 H ALA A 47 -2.126 2.475 0.951 1.00 0.00 H new ATOM 0 HA ALA A 47 0.342 1.226 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.784 -0.679 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.038 0.851 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.342 0.173 1.426 1.00 0.00 H new ATOM 718 N LYS A 48 -2.280 0.267 -1.384 1.00 0.00 N ATOM 719 CA LYS A 48 -2.744 -0.389 -2.604 1.00 0.00 C ATOM 720 C LYS A 48 -2.237 0.303 -3.874 1.00 0.00 C ATOM 721 O LYS A 48 -2.167 -0.327 -4.929 1.00 0.00 O ATOM 722 CB LYS A 48 -4.277 -0.498 -2.559 1.00 0.00 C ATOM 723 CG LYS A 48 -4.706 -1.623 -1.595 1.00 0.00 C ATOM 724 CD LYS A 48 -6.194 -1.983 -1.694 1.00 0.00 C ATOM 725 CE LYS A 48 -7.122 -0.899 -1.136 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.543 -1.322 -1.246 1.00 0.00 N ATOM 0 H LYS A 48 -3.031 0.718 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.322 -1.393 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.706 0.450 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.664 -0.699 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.111 -2.513 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.482 -1.319 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.447 -2.165 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.371 -2.914 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.875 -0.702 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.971 0.033 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.158 -0.576 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.780 -1.487 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.687 -2.199 -0.707 1.00 0.00 H new ATOM 736 N TYR A 49 -1.824 1.568 -3.774 1.00 0.00 N ATOM 737 CA TYR A 49 -1.286 2.344 -4.889 1.00 0.00 C ATOM 738 C TYR A 49 0.192 2.063 -5.121 1.00 0.00 C ATOM 739 O TYR A 49 0.553 1.723 -6.248 1.00 0.00 O ATOM 740 CB TYR A 49 -1.577 3.835 -4.716 1.00 0.00 C ATOM 741 CG TYR A 49 -2.948 4.230 -5.242 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.085 3.422 -5.023 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.066 5.395 -6.018 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.324 3.770 -5.595 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.294 5.742 -6.609 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.425 4.922 -6.408 1.00 0.00 C ATOM 747 OH TYR A 49 -6.606 5.241 -6.998 1.00 0.00 O ATOM 0 H TYR A 49 -1.855 2.090 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.801 2.020 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.509 4.094 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.813 4.413 -5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.004 2.533 -4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.205 6.031 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.195 3.158 -5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.371 6.633 -7.215 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.499 6.063 -7.520 1.00 0.00 H new ATOM 756 N ARG A 50 1.048 2.080 -4.085 1.00 0.00 N ATOM 757 CA ARG A 50 2.447 1.631 -4.269 1.00 0.00 C ATOM 758 C ARG A 50 2.526 0.218 -4.861 1.00 0.00 C ATOM 759 O ARG A 50 3.415 -0.051 -5.667 1.00 0.00 O ATOM 760 CB ARG A 50 3.314 1.827 -3.007 1.00 0.00 C ATOM 761 CG ARG A 50 2.808 1.177 -1.712 1.00 0.00 C ATOM 762 CD ARG A 50 3.891 1.068 -0.625 1.00 0.00 C ATOM 763 NE ARG A 50 4.632 2.328 -0.382 1.00 0.00 N ATOM 764 CZ ARG A 50 5.683 2.475 0.409 1.00 0.00 C ATOM 765 NH1 ARG A 50 6.143 1.518 1.153 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.331 3.602 0.472 1.00 0.00 N ATOM 0 H ARG A 50 0.812 2.387 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 50 2.892 2.290 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.311 1.438 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.420 2.897 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.971 1.758 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.427 0.181 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.425 0.748 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.600 0.291 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 50 4.301 3.160 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.691 0.603 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.957 1.680 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.032 4.395 -0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.138 3.692 1.089 1.00 0.00 H new ATOM 777 N GLU A 51 1.531 -0.623 -4.579 1.00 0.00 N ATOM 778 CA GLU A 51 1.408 -1.979 -5.133 1.00 0.00 C ATOM 779 C GLU A 51 1.023 -1.997 -6.627 1.00 0.00 C ATOM 780 O GLU A 51 1.536 -2.830 -7.379 1.00 0.00 O ATOM 781 CB GLU A 51 0.410 -2.777 -4.267 1.00 0.00 C ATOM 782 CG GLU A 51 -0.055 -4.135 -4.825 1.00 0.00 C ATOM 783 CD GLU A 51 1.068 -5.160 -5.105 1.00 0.00 C ATOM 784 OE1 GLU A 51 2.195 -5.046 -4.563 1.00 0.00 O ATOM 785 OE2 GLU A 51 0.813 -6.122 -5.874 1.00 0.00 O ATOM 0 H GLU A 51 0.770 -0.379 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 51 2.388 -2.454 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.866 -2.948 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.471 -2.156 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.758 -4.577 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.602 -3.959 -5.751 1.00 0.00 H new ATOM 790 N MET A 52 0.147 -1.092 -7.080 1.00 0.00 N ATOM 791 CA MET A 52 -0.352 -1.067 -8.466 1.00 0.00 C ATOM 792 C MET A 52 0.571 -0.311 -9.439 1.00 0.00 C ATOM 793 O MET A 52 0.605 -0.640 -10.628 1.00 0.00 O ATOM 794 CB MET A 52 -1.800 -0.544 -8.524 1.00 0.00 C ATOM 795 CG MET A 52 -1.932 0.983 -8.576 1.00 0.00 C ATOM 796 SD MET A 52 -3.604 1.627 -8.292 1.00 0.00 S ATOM 797 CE MET A 52 -4.454 1.024 -9.779 1.00 0.00 C ATOM 0 H MET A 52 -0.239 -0.351 -6.495 1.00 0.00 H new ATOM 0 HA MET A 52 -0.350 -2.101 -8.811 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.289 -0.967 -9.402 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.339 -0.911 -7.651 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.263 1.415 -7.831 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.588 1.328 -9.551 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.493 1.354 -9.763 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.961 1.421 -10.666 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.420 -0.065 -9.801 1.00 0.00 H new ATOM 805 N LEU A 53 1.332 0.681 -8.954 1.00 0.00 N ATOM 806 CA LEU A 53 2.345 1.394 -9.733 1.00 0.00 C ATOM 807 C LEU A 53 3.554 0.492 -10.046 1.00 0.00 C ATOM 808 O LEU A 53 3.806 0.193 -11.217 1.00 0.00 O ATOM 809 CB LEU A 53 2.760 2.684 -9.005 1.00 0.00 C ATOM 810 CG LEU A 53 1.805 3.874 -9.255 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.787 4.058 -8.125 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.623 5.158 -9.395 1.00 0.00 C ATOM 0 H LEU A 53 1.257 1.013 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 53 1.912 1.674 -10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.808 2.487 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.765 2.963 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 53 1.252 3.659 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.142 4.907 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.181 3.157 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.313 4.242 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.953 5.999 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.189 5.331 -8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.312 5.061 -10.234 1.00 0.00 H new ATOM 823 N GLY A 54 4.297 0.046 -9.024 1.00 0.00 N ATOM 824 CA GLY A 54 5.409 -0.900 -9.220 1.00 0.00 C ATOM 825 C GLY A 54 6.275 -1.277 -8.006 1.00 0.00 C ATOM 826 O GLY A 54 7.251 -2.015 -8.171 1.00 0.00 O ATOM 0 H GLY A 54 4.150 0.323 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.993 -1.821 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.069 -0.483 -9.981 1.00 0.00 H new ATOM 830 N ILE A 55 5.972 -0.785 -6.801 1.00 0.00 N ATOM 831 CA ILE A 55 6.732 -1.053 -5.568 1.00 0.00 C ATOM 832 C ILE A 55 6.182 -2.303 -4.841 1.00 0.00 C ATOM 833 O ILE A 55 4.970 -2.403 -4.635 1.00 0.00 O ATOM 834 CB ILE A 55 6.706 0.209 -4.676 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.682 1.259 -5.250 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.049 -0.080 -3.203 1.00 0.00 C ATOM 837 CD1 ILE A 55 7.299 2.697 -4.881 1.00 0.00 C ATOM 0 H ILE A 55 5.171 -0.173 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 55 7.770 -1.276 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 55 5.684 0.589 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.687 1.051 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.712 1.164 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.013 0.848 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.327 -0.787 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.050 -0.506 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.022 3.388 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.306 2.920 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.296 2.806 -3.796 1.00 0.00 H new ATOM 848 N PRO A 56 7.044 -3.250 -4.415 1.00 0.00 N ATOM 849 CA PRO A 56 6.645 -4.397 -3.596 1.00 0.00 C ATOM 850 C PRO A 56 6.284 -3.944 -2.168 1.00 0.00 C ATOM 851 O PRO A 56 5.134 -4.067 -1.740 1.00 0.00 O ATOM 852 CB PRO A 56 7.823 -5.373 -3.668 1.00 0.00 C ATOM 853 CG PRO A 56 9.040 -4.492 -3.949 1.00 0.00 C ATOM 854 CD PRO A 56 8.477 -3.262 -4.657 1.00 0.00 C ATOM 0 HA PRO A 56 5.741 -4.889 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.939 -5.923 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.678 -6.111 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.551 -4.218 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.767 -5.010 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.940 -2.352 -4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.687 -3.303 -5.726 1.00 0.00 H new ATOM 859 N SER A 57 7.254 -3.373 -1.446 1.00 0.00 N ATOM 860 CA SER A 57 7.046 -2.600 -0.206 1.00 0.00 C ATOM 861 C SER A 57 8.105 -1.521 0.072 1.00 0.00 C ATOM 862 O SER A 57 8.003 -0.759 1.033 1.00 0.00 O ATOM 863 CB SER A 57 7.001 -3.548 0.995 1.00 0.00 C ATOM 864 OG SER A 57 8.293 -4.078 1.269 1.00 0.00 O ATOM 0 H SER A 57 8.237 -3.435 -1.712 1.00 0.00 H new ATOM 0 HA SER A 57 6.100 -2.079 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.628 -3.016 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.304 -4.362 0.796 1.00 0.00 H new ATOM 0 HG SER A 57 8.243 -4.680 2.041 1.00 0.00 H new ATOM 869 N SER A 58 9.174 -1.493 -0.728 1.00 0.00 N ATOM 870 CA SER A 58 10.436 -0.755 -0.528 1.00 0.00 C ATOM 871 C SER A 58 11.216 -1.077 0.756 1.00 0.00 C ATOM 872 O SER A 58 12.424 -0.842 0.786 1.00 0.00 O ATOM 873 CB SER A 58 10.249 0.758 -0.707 1.00 0.00 C ATOM 874 OG SER A 58 9.927 1.050 -2.057 1.00 0.00 O ATOM 0 H SER A 58 9.187 -2.023 -1.599 1.00 0.00 H new ATOM 0 HA SER A 58 11.077 -1.132 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.456 1.115 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.161 1.282 -0.420 1.00 0.00 H new ATOM 0 HG SER A 58 9.808 2.017 -2.163 1.00 0.00 H new ATOM 879 N ARG A 59 10.609 -1.718 1.768 1.00 0.00 N ATOM 880 CA ARG A 59 11.294 -2.307 2.930 1.00 0.00 C ATOM 881 C ARG A 59 12.148 -3.468 2.446 1.00 0.00 C ATOM 882 O ARG A 59 13.310 -3.587 2.828 1.00 0.00 O ATOM 883 CB ARG A 59 10.227 -2.738 3.960 1.00 0.00 C ATOM 884 CG ARG A 59 10.731 -3.603 5.131 1.00 0.00 C ATOM 885 CD ARG A 59 9.546 -3.949 6.047 1.00 0.00 C ATOM 886 NE ARG A 59 9.875 -4.953 7.079 1.00 0.00 N ATOM 887 CZ ARG A 59 10.323 -4.745 8.304 1.00 0.00 C ATOM 888 NH1 ARG A 59 10.681 -3.568 8.734 1.00 0.00 N ATOM 889 NH2 ARG A 59 10.417 -5.742 9.134 1.00 0.00 N ATOM 0 H ARG A 59 9.597 -1.844 1.801 1.00 0.00 H new ATOM 0 HA ARG A 59 11.955 -1.592 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.763 -1.841 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.446 -3.290 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.193 -4.515 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.496 -3.067 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.196 -3.039 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.722 -4.322 5.438 1.00 0.00 H new ATOM 0 HE ARG A 59 9.739 -5.928 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.621 -2.759 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.021 -3.456 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.145 -6.679 8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.762 -5.586 10.081 1.00 0.00 H new ATOM 900 N GLU A 60 11.585 -4.280 1.550 1.00 0.00 N ATOM 901 CA GLU A 60 12.237 -5.461 0.988 1.00 0.00 C ATOM 902 C GLU A 60 13.286 -5.131 -0.093 1.00 0.00 C ATOM 903 O GLU A 60 14.223 -5.908 -0.301 1.00 0.00 O ATOM 904 CB GLU A 60 11.179 -6.482 0.525 1.00 0.00 C ATOM 905 CG GLU A 60 10.384 -6.128 -0.744 1.00 0.00 C ATOM 906 CD GLU A 60 10.977 -6.804 -1.995 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.670 -7.996 -2.246 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.746 -6.154 -2.741 1.00 0.00 O ATOM 0 H GLU A 60 10.643 -4.131 1.188 1.00 0.00 H new ATOM 0 HA GLU A 60 12.820 -5.925 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.678 -7.437 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.470 -6.631 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.346 -6.437 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.381 -5.047 -0.882 1.00 0.00 H new ATOM 913 N ARG A 61 13.176 -3.951 -0.729 1.00 0.00 N ATOM 914 CA ARG A 61 14.188 -3.375 -1.632 1.00 0.00 C ATOM 915 C ARG A 61 15.393 -2.832 -0.862 1.00 0.00 C ATOM 916 O ARG A 61 16.534 -3.035 -1.289 1.00 0.00 O ATOM 917 CB ARG A 61 13.576 -2.251 -2.491 1.00 0.00 C ATOM 918 CG ARG A 61 12.497 -2.766 -3.459 1.00 0.00 C ATOM 919 CD ARG A 61 11.748 -1.644 -4.188 1.00 0.00 C ATOM 920 NE ARG A 61 12.635 -0.758 -4.970 1.00 0.00 N ATOM 921 CZ ARG A 61 12.532 0.554 -5.108 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.684 1.271 -4.430 1.00 0.00 N ATOM 923 NH2 ARG A 61 13.288 1.187 -5.954 1.00 0.00 N ATOM 0 H ARG A 61 12.355 -3.354 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 61 14.532 -4.180 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.141 -1.495 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.367 -1.763 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.963 -3.420 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.780 -3.371 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.008 -2.085 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.203 -1.047 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 61 13.411 -1.207 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.061 0.824 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.642 2.280 -4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.966 0.673 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.204 2.198 -6.056 1.00 0.00 H new ATOM 934 N ARG A 62 15.149 -2.132 0.254 1.00 0.00 N ATOM 935 CA ARG A 62 16.161 -1.471 1.082 1.00 0.00 C ATOM 936 C ARG A 62 17.011 -2.465 1.884 1.00 0.00 C ATOM 937 O ARG A 62 18.241 -2.437 1.773 1.00 0.00 O ATOM 938 CB ARG A 62 15.412 -0.478 1.978 1.00 0.00 C ATOM 939 CG ARG A 62 16.302 0.218 3.014 1.00 0.00 C ATOM 940 CD ARG A 62 15.775 -0.045 4.422 1.00 0.00 C ATOM 941 NE ARG A 62 16.613 0.628 5.428 1.00 0.00 N ATOM 942 CZ ARG A 62 16.599 0.460 6.737 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.800 -0.388 7.320 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.395 1.160 7.492 1.00 0.00 N ATOM 0 H ARG A 62 14.204 -2.007 0.617 1.00 0.00 H new ATOM 0 HA ARG A 62 16.884 -0.949 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.942 0.279 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.611 -1.005 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.326 -0.145 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.327 1.291 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.747 0.309 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.759 -1.118 4.615 1.00 0.00 H new ATOM 0 HE ARG A 62 17.286 1.306 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.157 -0.949 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.818 -0.491 8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.030 1.839 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.384 1.030 8.504 1.00 0.00 H new ATOM 955 N ILE A 63 16.364 -3.269 2.736 1.00 0.00 N ATOM 956 CA ILE A 63 16.995 -4.134 3.759 1.00 0.00 C ATOM 957 C ILE A 63 18.057 -5.105 3.207 1.00 0.00 C ATOM 958 O ILE A 63 19.107 -5.265 3.872 1.00 0.00 O ATOM 959 CB ILE A 63 15.902 -4.818 4.620 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.418 -5.299 5.992 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.245 -5.996 3.884 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.795 -4.147 6.935 1.00 0.00 C ATOM 963 OXT ILE A 63 17.867 -5.685 2.110 1.00 0.00 O ATOM 0 H ILE A 63 15.347 -3.343 2.738 1.00 0.00 H new ATOM 0 HA ILE A 63 17.581 -3.488 4.413 1.00 0.00 H new ATOM 0 HB ILE A 63 15.157 -4.042 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.652 -5.912 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.289 -5.937 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.486 -6.446 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.780 -5.638 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.003 -6.741 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.150 -4.553 7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.583 -3.547 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.920 -3.522 7.114 1.00 0.00 H new