USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=10 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 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 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.856 K(o=0.86,f=-0.029) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.2) 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= 0.0813 USER MOD Single : A 28 GLN : amide:sc= 0.743 K(o=0.74,f=-0.0096) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.18) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00394 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 -161:sc= -0.0628 (180deg=-0.335) USER MOD Single : A 57 SER OG : rot 180:sc= 0.142 USER MOD Single : A 58 SER OG : rot 180:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.164 12.413 -5.094 1.00 0.00 N ATOM 35 CA LEU A 3 -9.078 12.627 -6.052 1.00 0.00 C ATOM 36 C LEU A 3 -9.399 12.219 -7.499 1.00 0.00 C ATOM 37 O LEU A 3 -10.432 11.610 -7.801 1.00 0.00 O ATOM 38 CB LEU A 3 -7.821 11.901 -5.527 1.00 0.00 C ATOM 39 CG LEU A 3 -7.265 12.480 -4.212 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.883 11.898 -3.919 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.119 13.997 -4.288 1.00 0.00 C ATOM 0 HA LEU A 3 -8.912 13.702 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.059 10.848 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.043 11.946 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.972 12.217 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.502 12.316 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.957 10.814 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.203 12.148 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.724 14.372 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.435 14.257 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.093 14.447 -4.479 1.00 0.00 H new ATOM 52 N THR A 4 -8.477 12.582 -8.394 1.00 0.00 N ATOM 53 CA THR A 4 -8.501 12.242 -9.831 1.00 0.00 C ATOM 54 C THR A 4 -8.148 10.769 -10.086 1.00 0.00 C ATOM 55 O THR A 4 -8.037 9.963 -9.155 1.00 0.00 O ATOM 56 CB THR A 4 -7.583 13.171 -10.653 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.242 13.004 -10.257 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.963 14.647 -10.536 1.00 0.00 C ATOM 0 H THR A 4 -7.663 13.140 -8.136 1.00 0.00 H new ATOM 0 HA THR A 4 -9.527 12.397 -10.166 1.00 0.00 H new ATOM 0 HB THR A 4 -7.711 12.884 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.668 13.597 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.280 15.247 -11.137 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.982 14.790 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.898 14.958 -9.493 1.00 0.00 H new ATOM 66 N GLN A 5 -7.951 10.406 -11.359 1.00 0.00 N ATOM 67 CA GLN A 5 -7.463 9.097 -11.808 1.00 0.00 C ATOM 68 C GLN A 5 -6.199 8.600 -11.081 1.00 0.00 C ATOM 69 O GLN A 5 -5.991 7.387 -10.989 1.00 0.00 O ATOM 70 CB GLN A 5 -7.240 9.138 -13.328 1.00 0.00 C ATOM 71 CG GLN A 5 -6.102 10.064 -13.795 1.00 0.00 C ATOM 72 CD GLN A 5 -5.981 10.082 -15.318 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.156 9.399 -15.915 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.787 10.862 -16.011 1.00 0.00 N ATOM 0 H GLN A 5 -8.135 11.042 -12.135 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.234 8.371 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.031 8.127 -13.677 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.166 9.455 -13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.283 11.076 -13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.160 9.732 -13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.479 11.437 -15.530 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.719 10.891 -17.028 1.00 0.00 H new ATOM 81 N GLY A 6 -5.371 9.506 -10.537 1.00 0.00 N ATOM 82 CA GLY A 6 -4.208 9.131 -9.745 1.00 0.00 C ATOM 83 C GLY A 6 -3.490 10.279 -9.039 1.00 0.00 C ATOM 84 O GLY A 6 -2.265 10.243 -8.994 1.00 0.00 O ATOM 0 H GLY A 6 -5.495 10.513 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.521 8.406 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.495 8.627 -10.397 1.00 0.00 H new ATOM 88 N GLU A 7 -4.183 11.266 -8.454 1.00 0.00 N ATOM 89 CA GLU A 7 -3.567 12.389 -7.737 1.00 0.00 C ATOM 90 C GLU A 7 -2.739 11.955 -6.513 1.00 0.00 C ATOM 91 O GLU A 7 -1.926 12.729 -6.021 1.00 0.00 O ATOM 92 CB GLU A 7 -4.649 13.409 -7.322 1.00 0.00 C ATOM 93 CG GLU A 7 -4.401 14.770 -7.978 1.00 0.00 C ATOM 94 CD GLU A 7 -5.345 15.871 -7.455 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.582 15.669 -7.420 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.851 16.970 -7.095 1.00 0.00 O ATOM 0 H GLU A 7 -5.202 11.306 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.865 12.854 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.633 13.037 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.653 13.519 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.368 15.070 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.525 14.675 -9.057 1.00 0.00 H new ATOM 101 N LEU A 8 -2.883 10.708 -6.058 1.00 0.00 N ATOM 102 CA LEU A 8 -2.002 10.081 -5.069 1.00 0.00 C ATOM 103 C LEU A 8 -1.094 8.986 -5.672 1.00 0.00 C ATOM 104 O LEU A 8 -0.056 8.666 -5.102 1.00 0.00 O ATOM 105 CB LEU A 8 -2.869 9.612 -3.883 1.00 0.00 C ATOM 106 CG LEU A 8 -3.717 8.346 -4.142 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.046 7.145 -3.470 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.133 8.425 -3.572 1.00 0.00 C ATOM 0 H LEU A 8 -3.632 10.092 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.283 10.812 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.217 9.424 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.538 10.425 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.784 8.250 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.640 6.249 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.047 7.007 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.972 7.323 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.666 7.501 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.083 8.566 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.661 9.265 -4.023 1.00 0.00 H new ATOM 119 N MET A 9 -1.431 8.451 -6.852 1.00 0.00 N ATOM 120 CA MET A 9 -0.709 7.368 -7.539 1.00 0.00 C ATOM 121 C MET A 9 0.623 7.861 -8.092 1.00 0.00 C ATOM 122 O MET A 9 1.689 7.375 -7.714 1.00 0.00 O ATOM 123 CB MET A 9 -1.608 6.724 -8.628 1.00 0.00 C ATOM 124 CG MET A 9 -0.917 6.340 -9.944 1.00 0.00 C ATOM 125 SD MET A 9 -1.669 4.974 -10.872 1.00 0.00 S ATOM 126 CE MET A 9 -3.321 5.646 -11.188 1.00 0.00 C ATOM 0 H MET A 9 -2.245 8.772 -7.376 1.00 0.00 H new ATOM 0 HA MET A 9 -0.472 6.588 -6.815 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.065 5.828 -8.208 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.417 7.417 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.892 7.219 -10.588 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.118 6.077 -9.724 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.907 4.921 -11.752 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.817 5.854 -10.240 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.235 6.568 -11.763 1.00 0.00 H new ATOM 134 N LYS A 10 0.574 8.830 -9.004 1.00 0.00 N ATOM 135 CA LYS A 10 1.739 9.310 -9.770 1.00 0.00 C ATOM 136 C LYS A 10 2.692 10.202 -8.936 1.00 0.00 C ATOM 137 O LYS A 10 3.503 10.946 -9.488 1.00 0.00 O ATOM 138 CB LYS A 10 1.204 9.945 -11.076 1.00 0.00 C ATOM 139 CG LYS A 10 0.297 11.171 -10.866 1.00 0.00 C ATOM 140 CD LYS A 10 -0.810 11.315 -11.920 1.00 0.00 C ATOM 141 CE LYS A 10 -1.461 12.695 -11.780 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.480 12.925 -12.834 1.00 0.00 N ATOM 0 H LYS A 10 -0.290 9.318 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 10 2.393 8.480 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.051 10.238 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.649 9.189 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.161 11.107 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.912 12.071 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.394 11.195 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.557 10.532 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.926 12.781 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.694 13.468 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.901 13.868 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.031 12.867 -13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.224 12.202 -12.762 1.00 0.00 H new ATOM 152 N LEU A 11 2.561 10.142 -7.604 1.00 0.00 N ATOM 153 CA LEU A 11 3.156 10.986 -6.563 1.00 0.00 C ATOM 154 C LEU A 11 3.904 10.127 -5.544 1.00 0.00 C ATOM 155 O LEU A 11 5.039 10.446 -5.193 1.00 0.00 O ATOM 156 CB LEU A 11 2.068 11.787 -5.808 1.00 0.00 C ATOM 157 CG LEU A 11 1.343 12.913 -6.558 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.330 13.954 -7.079 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.525 12.393 -7.734 1.00 0.00 C ATOM 0 H LEU A 11 1.971 9.422 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 11 3.843 11.674 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.315 11.080 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.530 12.221 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 11 0.668 13.368 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.787 14.739 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.875 14.389 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.034 13.478 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.032 13.228 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.184 11.888 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.226 11.691 -7.372 1.00 0.00 H new ATOM 170 N ILE A 12 3.297 9.024 -5.082 1.00 0.00 N ATOM 171 CA ILE A 12 3.932 8.146 -4.085 1.00 0.00 C ATOM 172 C ILE A 12 5.265 7.569 -4.576 1.00 0.00 C ATOM 173 O ILE A 12 6.218 7.497 -3.800 1.00 0.00 O ATOM 174 CB ILE A 12 2.995 7.016 -3.625 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.343 6.234 -4.785 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.902 7.546 -2.688 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.293 4.747 -4.446 1.00 0.00 C ATOM 0 H ILE A 12 2.371 8.719 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 12 4.143 8.780 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 12 3.636 6.317 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.336 6.608 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.910 6.388 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.256 6.724 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.363 7.994 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.309 8.298 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.832 4.201 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.305 4.376 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.706 4.600 -3.539 1.00 0.00 H new ATOM 188 N LYS A 13 5.390 7.231 -5.866 1.00 0.00 N ATOM 189 CA LYS A 13 6.682 6.784 -6.438 1.00 0.00 C ATOM 190 C LYS A 13 7.614 7.939 -6.833 1.00 0.00 C ATOM 191 O LYS A 13 8.805 7.743 -7.031 1.00 0.00 O ATOM 192 CB LYS A 13 6.470 5.814 -7.613 1.00 0.00 C ATOM 193 CG LYS A 13 5.457 6.299 -8.665 1.00 0.00 C ATOM 194 CD LYS A 13 5.864 5.951 -10.105 1.00 0.00 C ATOM 195 CE LYS A 13 5.997 4.441 -10.332 1.00 0.00 C ATOM 196 NZ LYS A 13 6.382 4.131 -11.734 1.00 0.00 N ATOM 0 H LYS A 13 4.621 7.256 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 13 7.191 6.249 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.428 5.641 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.135 4.854 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.483 5.857 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.342 7.379 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.123 6.354 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.813 6.434 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.744 4.034 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.051 3.952 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.463 3.101 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.656 4.498 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.296 4.577 -11.950 1.00 0.00 H new ATOM 206 N GLU A 14 7.098 9.157 -6.914 1.00 0.00 N ATOM 207 CA GLU A 14 7.802 10.351 -7.392 1.00 0.00 C ATOM 208 C GLU A 14 8.499 11.107 -6.250 1.00 0.00 C ATOM 209 O GLU A 14 9.435 11.867 -6.505 1.00 0.00 O ATOM 210 CB GLU A 14 6.811 11.251 -8.155 1.00 0.00 C ATOM 211 CG GLU A 14 7.506 12.353 -8.967 1.00 0.00 C ATOM 212 CD GLU A 14 6.515 13.111 -9.869 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.865 14.074 -9.392 1.00 0.00 O ATOM 214 OE2 GLU A 14 6.412 12.777 -11.075 1.00 0.00 O ATOM 0 H GLU A 14 6.136 9.355 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 14 8.595 10.041 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.212 10.635 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.123 11.710 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.989 13.055 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.291 11.912 -9.581 1.00 0.00 H new ATOM 219 N ILE A 15 8.113 10.851 -4.992 1.00 0.00 N ATOM 220 CA ILE A 15 8.808 11.344 -3.803 1.00 0.00 C ATOM 221 C ILE A 15 9.662 10.223 -3.216 1.00 0.00 C ATOM 222 O ILE A 15 10.834 10.445 -2.934 1.00 0.00 O ATOM 223 CB ILE A 15 7.829 11.964 -2.778 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.886 10.936 -2.109 1.00 0.00 C ATOM 225 CG2 ILE A 15 7.014 13.095 -3.426 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.371 10.564 -0.705 1.00 0.00 C ATOM 0 H ILE A 15 7.294 10.285 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 15 9.474 12.158 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 15 8.451 12.368 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.879 11.348 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.828 10.039 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.331 13.519 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.690 13.872 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.442 12.697 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.686 9.840 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.368 10.128 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.404 11.458 -0.083 1.00 0.00 H new ATOM 237 N VAL A 16 9.144 8.993 -3.087 1.00 0.00 N ATOM 238 CA VAL A 16 9.902 7.924 -2.425 1.00 0.00 C ATOM 239 C VAL A 16 11.113 7.501 -3.264 1.00 0.00 C ATOM 240 O VAL A 16 12.162 7.178 -2.701 1.00 0.00 O ATOM 241 CB VAL A 16 9.025 6.709 -2.065 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.864 5.676 -1.308 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.860 7.076 -1.136 1.00 0.00 C ATOM 0 H VAL A 16 8.222 8.718 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 16 10.265 8.338 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 16 8.635 6.325 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.242 4.818 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.693 5.350 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.255 6.124 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.276 6.183 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.252 7.492 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.224 7.814 -1.624 1.00 0.00 H new ATOM 253 N GLU A 17 11.037 7.582 -4.601 1.00 0.00 N ATOM 254 CA GLU A 17 12.221 7.297 -5.448 1.00 0.00 C ATOM 255 C GLU A 17 13.211 8.477 -5.508 1.00 0.00 C ATOM 256 O GLU A 17 14.276 8.375 -6.125 1.00 0.00 O ATOM 257 CB GLU A 17 11.821 6.883 -6.875 1.00 0.00 C ATOM 258 CG GLU A 17 11.010 5.577 -6.958 1.00 0.00 C ATOM 259 CD GLU A 17 11.822 4.349 -6.526 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.943 4.122 -7.044 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.346 3.582 -5.658 1.00 0.00 O ATOM 0 H GLU A 17 10.194 7.835 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 17 12.727 6.460 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.237 7.687 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.725 6.773 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.125 5.663 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.660 5.435 -7.981 1.00 0.00 H new ATOM 266 N ASN A 18 12.878 9.594 -4.858 1.00 0.00 N ATOM 267 CA ASN A 18 13.635 10.840 -4.856 1.00 0.00 C ATOM 268 C ASN A 18 14.323 11.120 -3.506 1.00 0.00 C ATOM 269 O ASN A 18 15.200 11.988 -3.449 1.00 0.00 O ATOM 270 CB ASN A 18 12.671 11.983 -5.238 1.00 0.00 C ATOM 271 CG ASN A 18 13.005 12.615 -6.579 1.00 0.00 C ATOM 272 OD1 ASN A 18 14.128 13.023 -6.850 1.00 0.00 O ATOM 273 ND2 ASN A 18 12.035 12.731 -7.458 1.00 0.00 N ATOM 0 H ASN A 18 12.031 9.653 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 18 14.443 10.762 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.652 11.597 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.699 12.750 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.217 13.160 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.100 12.392 -7.233 1.00 0.00 H new ATOM 279 N GLU A 19 13.952 10.418 -2.424 1.00 0.00 N ATOM 280 CA GLU A 19 14.365 10.779 -1.064 1.00 0.00 C ATOM 281 C GLU A 19 15.481 9.871 -0.541 1.00 0.00 C ATOM 282 O GLU A 19 16.645 10.041 -0.913 1.00 0.00 O ATOM 283 CB GLU A 19 13.129 10.821 -0.153 1.00 0.00 C ATOM 284 CG GLU A 19 12.169 11.974 -0.470 1.00 0.00 C ATOM 285 CD GLU A 19 12.718 13.332 0.003 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.614 13.630 1.217 1.00 0.00 O ATOM 287 OE2 GLU A 19 13.248 14.110 -0.827 1.00 0.00 O ATOM 0 H GLU A 19 13.360 9.589 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 19 14.804 11.777 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.591 9.877 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.455 10.906 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.990 12.011 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.207 11.786 0.008 1.00 0.00 H new ATOM 292 N ASP A 20 15.147 8.912 0.324 1.00 0.00 N ATOM 293 CA ASP A 20 16.101 8.077 1.037 1.00 0.00 C ATOM 294 C ASP A 20 15.589 6.636 1.097 1.00 0.00 C ATOM 295 O ASP A 20 15.049 6.189 2.105 1.00 0.00 O ATOM 296 CB ASP A 20 16.373 8.656 2.440 1.00 0.00 C ATOM 297 CG ASP A 20 17.177 9.962 2.408 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.428 9.886 2.345 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.575 11.061 2.496 1.00 0.00 O ATOM 0 H ASP A 20 14.177 8.693 0.551 1.00 0.00 H new ATOM 0 HA ASP A 20 17.050 8.068 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.423 8.834 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.914 7.918 3.032 1.00 0.00 H new ATOM 303 N LYS A 21 15.778 5.878 0.015 1.00 0.00 N ATOM 304 CA LYS A 21 15.457 4.437 -0.047 1.00 0.00 C ATOM 305 C LYS A 21 16.272 3.575 0.935 1.00 0.00 C ATOM 306 O LYS A 21 15.850 2.471 1.272 1.00 0.00 O ATOM 307 CB LYS A 21 15.594 3.939 -1.494 1.00 0.00 C ATOM 308 CG LYS A 21 14.468 4.508 -2.376 1.00 0.00 C ATOM 309 CD LYS A 21 14.426 3.872 -3.770 1.00 0.00 C ATOM 310 CE LYS A 21 15.602 4.310 -4.648 1.00 0.00 C ATOM 311 NZ LYS A 21 15.517 3.701 -5.998 1.00 0.00 N ATOM 0 H LYS A 21 16.162 6.244 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 21 14.423 4.324 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.563 4.237 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.562 2.850 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.510 4.350 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.601 5.585 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.434 2.787 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.490 4.140 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.609 5.396 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.540 4.022 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.124 4.230 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.834 2.712 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.533 3.734 -6.332 1.00 0.00 H new ATOM 321 N ARG A 22 17.386 4.105 1.460 1.00 0.00 N ATOM 322 CA ARG A 22 18.144 3.615 2.637 1.00 0.00 C ATOM 323 C ARG A 22 17.388 3.717 3.975 1.00 0.00 C ATOM 324 O ARG A 22 17.710 2.993 4.921 1.00 0.00 O ATOM 325 CB ARG A 22 19.477 4.379 2.733 1.00 0.00 C ATOM 326 CG ARG A 22 19.300 5.909 2.767 1.00 0.00 C ATOM 327 CD ARG A 22 20.562 6.590 3.284 1.00 0.00 C ATOM 328 NE ARG A 22 20.456 8.054 3.169 1.00 0.00 N ATOM 329 CZ ARG A 22 21.385 8.959 3.405 1.00 0.00 C ATOM 330 NH1 ARG A 22 22.577 8.652 3.832 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.102 10.210 3.205 1.00 0.00 N ATOM 0 H ARG A 22 17.814 4.938 1.055 1.00 0.00 H new ATOM 0 HA ARG A 22 18.306 2.550 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.006 4.061 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.104 4.111 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.068 6.275 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.455 6.167 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.728 6.314 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.426 6.239 2.720 1.00 0.00 H new ATOM 0 HE ARG A 22 19.550 8.413 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.824 7.676 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.263 9.387 4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.176 10.476 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.806 10.927 3.381 1.00 0.00 H new ATOM 342 N LYS A 23 16.390 4.602 4.053 1.00 0.00 N ATOM 343 CA LYS A 23 15.487 4.866 5.193 1.00 0.00 C ATOM 344 C LYS A 23 14.058 5.164 4.668 1.00 0.00 C ATOM 345 O LYS A 23 13.598 6.309 4.769 1.00 0.00 O ATOM 346 CB LYS A 23 16.049 6.042 6.025 1.00 0.00 C ATOM 347 CG LYS A 23 17.409 5.750 6.689 1.00 0.00 C ATOM 348 CD LYS A 23 17.922 6.931 7.526 1.00 0.00 C ATOM 349 CE LYS A 23 18.322 8.123 6.646 1.00 0.00 C ATOM 350 NZ LYS A 23 18.876 9.235 7.458 1.00 0.00 N ATOM 0 H LYS A 23 16.169 5.204 3.260 1.00 0.00 H new ATOM 0 HA LYS A 23 15.427 3.991 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.152 6.914 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.327 6.303 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.317 4.870 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.142 5.510 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.149 7.241 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.780 6.612 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.062 7.803 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.453 8.475 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.136 10.025 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.161 9.556 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.720 8.905 7.969 1.00 0.00 H new ATOM 360 N PRO A 24 13.369 4.178 4.053 1.00 0.00 N ATOM 361 CA PRO A 24 12.188 4.420 3.220 1.00 0.00 C ATOM 362 C PRO A 24 10.953 4.868 4.024 1.00 0.00 C ATOM 363 O PRO A 24 10.860 4.634 5.233 1.00 0.00 O ATOM 364 CB PRO A 24 11.931 3.080 2.524 1.00 0.00 C ATOM 365 CG PRO A 24 12.398 2.061 3.561 1.00 0.00 C ATOM 366 CD PRO A 24 13.622 2.748 4.159 1.00 0.00 C ATOM 0 HA PRO A 24 12.367 5.240 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.878 2.950 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.491 2.994 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.633 1.865 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.650 1.103 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.767 2.453 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.528 2.471 3.620 1.00 0.00 H new ATOM 371 N TYR A 25 9.969 5.457 3.335 1.00 0.00 N ATOM 372 CA TYR A 25 8.626 5.689 3.877 1.00 0.00 C ATOM 373 C TYR A 25 7.792 4.393 3.867 1.00 0.00 C ATOM 374 O TYR A 25 8.142 3.396 3.222 1.00 0.00 O ATOM 375 CB TYR A 25 7.889 6.795 3.100 1.00 0.00 C ATOM 376 CG TYR A 25 8.610 8.126 2.983 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.590 8.336 1.992 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.256 9.179 3.846 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.204 9.595 1.850 1.00 0.00 C ATOM 380 CE2 TYR A 25 8.888 10.431 3.734 1.00 0.00 C ATOM 381 CZ TYR A 25 9.861 10.646 2.734 1.00 0.00 C ATOM 382 OH TYR A 25 10.442 11.871 2.642 1.00 0.00 O ATOM 0 H TYR A 25 10.084 5.789 2.377 1.00 0.00 H new ATOM 0 HA TYR A 25 8.748 6.018 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.682 6.428 2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.926 6.968 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.872 7.525 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.496 9.026 4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.933 9.758 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.628 11.229 4.414 1.00 0.00 H new ATOM 0 HH TYR A 25 10.076 12.460 3.335 1.00 0.00 H new ATOM 391 N SER A 26 6.635 4.436 4.522 1.00 0.00 N ATOM 392 CA SER A 26 5.656 3.345 4.618 1.00 0.00 C ATOM 393 C SER A 26 4.293 3.829 4.137 1.00 0.00 C ATOM 394 O SER A 26 4.101 5.031 3.951 1.00 0.00 O ATOM 395 CB SER A 26 5.564 2.856 6.069 1.00 0.00 C ATOM 396 OG SER A 26 5.104 3.880 6.938 1.00 0.00 O ATOM 0 H SER A 26 6.336 5.271 5.026 1.00 0.00 H new ATOM 0 HA SER A 26 5.977 2.517 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.889 2.002 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.543 2.510 6.400 1.00 0.00 H new ATOM 0 HG SER A 26 5.055 3.535 7.854 1.00 0.00 H new ATOM 401 N ASP A 27 3.328 2.929 3.966 1.00 0.00 N ATOM 402 CA ASP A 27 1.944 3.289 3.669 1.00 0.00 C ATOM 403 C ASP A 27 1.326 4.284 4.679 1.00 0.00 C ATOM 404 O ASP A 27 0.572 5.169 4.277 1.00 0.00 O ATOM 405 CB ASP A 27 1.098 2.025 3.449 1.00 0.00 C ATOM 406 CG ASP A 27 1.004 1.036 4.628 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.429 1.350 5.764 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.384 -0.040 4.443 1.00 0.00 O ATOM 0 H ASP A 27 3.485 1.923 4.030 1.00 0.00 H new ATOM 0 HA ASP A 27 1.947 3.848 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.087 2.335 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.503 1.491 2.589 1.00 0.00 H new ATOM 412 N GLN A 28 1.692 4.257 5.964 1.00 0.00 N ATOM 413 CA GLN A 28 1.330 5.308 6.914 1.00 0.00 C ATOM 414 C GLN A 28 2.060 6.618 6.582 1.00 0.00 C ATOM 415 O GLN A 28 1.431 7.667 6.455 1.00 0.00 O ATOM 416 CB GLN A 28 1.608 4.825 8.348 1.00 0.00 C ATOM 417 CG GLN A 28 1.466 5.924 9.412 1.00 0.00 C ATOM 418 CD GLN A 28 0.082 6.578 9.459 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.817 6.138 10.166 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.147 7.655 8.730 1.00 0.00 N ATOM 0 H GLN A 28 2.247 3.505 6.373 1.00 0.00 H new ATOM 0 HA GLN A 28 0.264 5.520 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.923 4.011 8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.617 4.416 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.687 5.497 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.213 6.695 9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.590 8.035 8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.061 8.107 8.761 1.00 0.00 H new ATOM 427 N GLU A 29 3.386 6.605 6.482 1.00 0.00 N ATOM 428 CA GLU A 29 4.156 7.827 6.308 1.00 0.00 C ATOM 429 C GLU A 29 3.823 8.556 4.999 1.00 0.00 C ATOM 430 O GLU A 29 3.510 9.745 5.058 1.00 0.00 O ATOM 431 CB GLU A 29 5.643 7.522 6.482 1.00 0.00 C ATOM 432 CG GLU A 29 5.984 7.205 7.949 1.00 0.00 C ATOM 433 CD GLU A 29 7.493 7.029 8.217 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.327 7.167 7.289 1.00 0.00 O ATOM 435 OE2 GLU A 29 7.859 6.777 9.392 1.00 0.00 O ATOM 0 H GLU A 29 3.950 5.756 6.519 1.00 0.00 H new ATOM 0 HA GLU A 29 3.871 8.536 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.918 6.676 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.233 8.375 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.604 8.007 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.464 6.293 8.244 1.00 0.00 H new ATOM 440 N ILE A 30 3.776 7.873 3.849 1.00 0.00 N ATOM 441 CA ILE A 30 3.313 8.486 2.591 1.00 0.00 C ATOM 442 C ILE A 30 1.881 9.015 2.695 1.00 0.00 C ATOM 443 O ILE A 30 1.630 10.121 2.220 1.00 0.00 O ATOM 444 CB ILE A 30 3.527 7.592 1.351 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.561 6.393 1.301 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.005 7.186 1.243 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.904 5.322 0.261 1.00 0.00 C ATOM 0 H ILE A 30 4.052 6.895 3.760 1.00 0.00 H new ATOM 0 HA ILE A 30 3.957 9.351 2.434 1.00 0.00 H new ATOM 0 HB ILE A 30 3.279 8.178 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.536 5.926 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.556 6.764 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.146 6.555 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.622 8.080 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.297 6.634 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.165 4.522 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.898 5.766 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.893 4.915 0.471 1.00 0.00 H new ATOM 458 N ALA A 31 0.966 8.315 3.380 1.00 0.00 N ATOM 459 CA ALA A 31 -0.405 8.820 3.560 1.00 0.00 C ATOM 460 C ALA A 31 -0.430 10.150 4.339 1.00 0.00 C ATOM 461 O ALA A 31 -1.244 11.034 4.063 1.00 0.00 O ATOM 462 CB ALA A 31 -1.242 7.768 4.296 1.00 0.00 C ATOM 0 H ALA A 31 1.145 7.409 3.814 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.827 9.011 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.258 8.140 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.267 6.848 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.798 7.566 5.271 1.00 0.00 H new ATOM 468 N ASN A 32 0.476 10.303 5.307 1.00 0.00 N ATOM 469 CA ASN A 32 0.571 11.471 6.171 1.00 0.00 C ATOM 470 C ASN A 32 1.036 12.728 5.421 1.00 0.00 C ATOM 471 O ASN A 32 0.364 13.753 5.480 1.00 0.00 O ATOM 472 CB ASN A 32 1.491 11.127 7.346 1.00 0.00 C ATOM 473 CG ASN A 32 1.587 12.261 8.352 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.507 13.068 8.333 1.00 0.00 O ATOM 475 ND2 ASN A 32 0.639 12.366 9.258 1.00 0.00 N ATOM 0 H ASN A 32 1.181 9.596 5.513 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.423 11.718 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.120 10.232 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.487 10.893 6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.671 13.120 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.128 11.694 9.274 1.00 0.00 H new ATOM 481 N ILE A 33 2.154 12.668 4.696 1.00 0.00 N ATOM 482 CA ILE A 33 2.714 13.840 3.984 1.00 0.00 C ATOM 483 C ILE A 33 1.761 14.332 2.886 1.00 0.00 C ATOM 484 O ILE A 33 1.639 15.532 2.634 1.00 0.00 O ATOM 485 CB ILE A 33 4.083 13.503 3.364 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.052 12.850 4.377 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.760 14.731 2.743 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.555 11.539 3.791 1.00 0.00 C ATOM 0 H ILE A 33 2.701 11.815 4.580 1.00 0.00 H new ATOM 0 HA ILE A 33 2.841 14.635 4.719 1.00 0.00 H new ATOM 0 HB ILE A 33 3.867 12.782 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.888 13.517 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.544 12.671 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.722 14.441 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.125 15.138 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.915 15.488 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.240 11.065 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.710 10.876 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.075 11.735 2.854 1.00 0.00 H new ATOM 499 N LEU A 34 1.031 13.403 2.265 1.00 0.00 N ATOM 500 CA LEU A 34 0.008 13.667 1.249 1.00 0.00 C ATOM 501 C LEU A 34 -1.166 14.485 1.798 1.00 0.00 C ATOM 502 O LEU A 34 -1.811 15.230 1.055 1.00 0.00 O ATOM 503 CB LEU A 34 -0.450 12.311 0.676 1.00 0.00 C ATOM 504 CG LEU A 34 0.327 11.835 -0.569 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.834 12.117 -0.529 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.107 10.336 -0.780 1.00 0.00 C ATOM 0 H LEU A 34 1.140 12.408 2.463 1.00 0.00 H new ATOM 0 HA LEU A 34 0.434 14.281 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.358 11.554 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.508 12.379 0.422 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.073 12.417 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.298 11.748 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.001 13.191 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.276 11.612 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.659 10.008 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.461 9.790 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.956 10.141 -0.924 1.00 0.00 H new ATOM 517 N LYS A 35 -1.401 14.419 3.110 1.00 0.00 N ATOM 518 CA LYS A 35 -2.451 15.208 3.773 1.00 0.00 C ATOM 519 C LYS A 35 -2.025 16.654 4.039 1.00 0.00 C ATOM 520 O LYS A 35 -2.875 17.502 4.311 1.00 0.00 O ATOM 521 CB LYS A 35 -2.926 14.463 5.037 1.00 0.00 C ATOM 522 CG LYS A 35 -2.385 15.032 6.360 1.00 0.00 C ATOM 523 CD LYS A 35 -2.481 14.030 7.518 1.00 0.00 C ATOM 524 CE LYS A 35 -3.920 13.633 7.880 1.00 0.00 C ATOM 525 NZ LYS A 35 -4.686 14.764 8.465 1.00 0.00 N ATOM 0 H LYS A 35 -0.873 13.820 3.745 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.302 15.301 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.015 14.484 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.629 13.417 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.344 15.327 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.941 15.933 6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.922 13.132 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.001 14.459 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.431 13.274 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.899 12.806 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.650 14.449 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.214 15.091 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.730 15.545 7.779 1.00 0.00 H new ATOM 535 N GLU A 36 -0.726 16.952 3.943 1.00 0.00 N ATOM 536 CA GLU A 36 -0.181 18.287 4.212 1.00 0.00 C ATOM 537 C GLU A 36 -0.228 19.189 2.970 1.00 0.00 C ATOM 538 O GLU A 36 -0.052 20.406 3.099 1.00 0.00 O ATOM 539 CB GLU A 36 1.268 18.197 4.728 1.00 0.00 C ATOM 540 CG GLU A 36 1.403 17.358 6.004 1.00 0.00 C ATOM 541 CD GLU A 36 2.804 17.526 6.623 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.780 16.909 6.126 1.00 0.00 O ATOM 543 OE2 GLU A 36 2.946 18.283 7.618 1.00 0.00 O ATOM 0 H GLU A 36 -0.018 16.269 3.675 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.811 18.733 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.898 17.767 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.641 19.203 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.643 17.660 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.225 16.307 5.774 1.00 0.00 H new ATOM 548 N LYS A 37 -0.478 18.619 1.777 1.00 0.00 N ATOM 549 CA LYS A 37 -0.397 19.348 0.498 1.00 0.00 C ATOM 550 C LYS A 37 -1.649 19.263 -0.378 1.00 0.00 C ATOM 551 O LYS A 37 -1.898 20.206 -1.133 1.00 0.00 O ATOM 552 CB LYS A 37 0.900 18.960 -0.217 1.00 0.00 C ATOM 553 CG LYS A 37 0.991 17.456 -0.514 1.00 0.00 C ATOM 554 CD LYS A 37 2.383 17.085 -1.042 1.00 0.00 C ATOM 555 CE LYS A 37 3.361 17.033 0.135 1.00 0.00 C ATOM 556 NZ LYS A 37 4.770 16.939 -0.324 1.00 0.00 N ATOM 0 H LYS A 37 -0.742 17.639 1.673 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.363 20.413 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.974 19.515 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.750 19.256 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.778 16.889 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.234 17.180 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.350 16.120 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.716 17.818 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.238 17.924 0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.126 16.176 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.402 16.906 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.894 16.075 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.002 17.770 -0.905 1.00 0.00 H new ATOM 566 N GLY A 38 -2.504 18.245 -0.212 1.00 0.00 N ATOM 567 CA GLY A 38 -3.932 18.399 -0.525 1.00 0.00 C ATOM 568 C GLY A 38 -4.690 17.107 -0.801 1.00 0.00 C ATOM 569 O GLY A 38 -5.873 17.161 -1.146 1.00 0.00 O ATOM 0 H GLY A 38 -2.239 17.322 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.415 18.911 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.026 19.047 -1.396 1.00 0.00 H new ATOM 573 N PHE A 39 -4.032 15.950 -0.690 1.00 0.00 N ATOM 574 CA PHE A 39 -4.589 14.686 -1.156 1.00 0.00 C ATOM 575 C PHE A 39 -5.457 13.986 -0.111 1.00 0.00 C ATOM 576 O PHE A 39 -6.315 13.177 -0.473 1.00 0.00 O ATOM 577 CB PHE A 39 -3.453 13.770 -1.616 1.00 0.00 C ATOM 578 CG PHE A 39 -2.528 14.426 -2.613 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.986 14.688 -3.916 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.234 14.820 -2.229 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.159 15.356 -4.833 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.403 15.472 -3.157 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.862 15.747 -4.456 1.00 0.00 C ATOM 0 H PHE A 39 -3.103 15.867 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.251 14.912 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.875 13.454 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.878 12.870 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.976 14.375 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.881 14.623 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.519 15.570 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.596 15.764 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.222 16.256 -5.161 1.00 0.00 H new ATOM 592 N LYS A 40 -5.223 14.314 1.173 1.00 0.00 N ATOM 593 CA LYS A 40 -5.807 13.777 2.419 1.00 0.00 C ATOM 594 C LYS A 40 -6.133 12.278 2.392 1.00 0.00 C ATOM 595 O LYS A 40 -7.071 11.841 3.059 1.00 0.00 O ATOM 596 CB LYS A 40 -6.954 14.692 2.905 1.00 0.00 C ATOM 597 CG LYS A 40 -8.053 14.989 1.865 1.00 0.00 C ATOM 598 CD LYS A 40 -9.495 14.904 2.394 1.00 0.00 C ATOM 599 CE LYS A 40 -10.114 13.521 2.138 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.779 12.530 3.187 1.00 0.00 N ATOM 0 H LYS A 40 -4.544 15.044 1.388 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.028 13.807 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.418 14.231 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.525 15.638 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.889 15.988 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.945 14.289 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.503 15.114 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.104 15.670 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.198 13.621 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.771 13.149 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.355 11.675 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.771 12.282 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.975 12.937 4.124 1.00 0.00 H new ATOM 610 N VAL A 41 -5.368 11.490 1.636 1.00 0.00 N ATOM 611 CA VAL A 41 -5.652 10.062 1.431 1.00 0.00 C ATOM 612 C VAL A 41 -5.110 9.261 2.627 1.00 0.00 C ATOM 613 O VAL A 41 -4.024 9.531 3.146 1.00 0.00 O ATOM 614 CB VAL A 41 -5.175 9.530 0.063 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.704 9.900 -0.187 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.261 8.004 -0.014 1.00 0.00 C ATOM 0 H VAL A 41 -4.535 11.819 1.148 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.733 9.928 1.392 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.829 9.985 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.392 9.514 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.595 10.984 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.081 9.464 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.916 7.669 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.634 7.565 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.294 7.690 0.134 1.00 0.00 H new ATOM 626 N ALA A 42 -5.881 8.283 3.084 1.00 0.00 N ATOM 627 CA ALA A 42 -5.615 7.382 4.185 1.00 0.00 C ATOM 628 C ALA A 42 -4.693 6.223 3.772 1.00 0.00 C ATOM 629 O ALA A 42 -4.566 5.851 2.598 1.00 0.00 O ATOM 630 CB ALA A 42 -6.961 6.850 4.696 1.00 0.00 C ATOM 0 H ALA A 42 -6.785 8.088 2.653 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.093 7.923 4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.790 6.167 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.578 7.684 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.472 6.321 3.892 1.00 0.00 H new ATOM 636 N ARG A 43 -4.098 5.582 4.777 1.00 0.00 N ATOM 637 CA ARG A 43 -3.156 4.467 4.634 1.00 0.00 C ATOM 638 C ARG A 43 -3.751 3.238 3.935 1.00 0.00 C ATOM 639 O ARG A 43 -3.020 2.514 3.267 1.00 0.00 O ATOM 640 CB ARG A 43 -2.541 4.184 6.018 1.00 0.00 C ATOM 641 CG ARG A 43 -1.662 2.926 6.072 1.00 0.00 C ATOM 642 CD ARG A 43 -2.460 1.698 6.532 1.00 0.00 C ATOM 643 NE ARG A 43 -1.917 0.459 5.957 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.525 -0.694 5.797 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.664 -0.955 6.367 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.973 -1.599 5.052 1.00 0.00 N ATOM 0 H ARG A 43 -4.264 5.833 5.752 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.357 4.752 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.943 5.044 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.345 4.083 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.237 2.736 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.827 3.094 6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.439 1.635 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.504 1.810 6.239 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.947 0.500 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.111 -0.254 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.111 -1.861 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.078 -1.411 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.433 -2.499 4.918 1.00 0.00 H new ATOM 657 N ARG A 44 -5.065 3.016 4.019 1.00 0.00 N ATOM 658 CA ARG A 44 -5.747 1.845 3.430 1.00 0.00 C ATOM 659 C ARG A 44 -5.736 1.886 1.902 1.00 0.00 C ATOM 660 O ARG A 44 -5.670 0.847 1.245 1.00 0.00 O ATOM 661 CB ARG A 44 -7.190 1.759 3.969 1.00 0.00 C ATOM 662 CG ARG A 44 -7.334 0.728 5.101 1.00 0.00 C ATOM 663 CD ARG A 44 -6.628 1.086 6.419 1.00 0.00 C ATOM 664 NE ARG A 44 -7.290 2.181 7.159 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.528 2.249 8.460 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.197 1.324 9.312 1.00 0.00 N ATOM 667 NH2 ARG A 44 -8.132 3.269 8.978 1.00 0.00 N ATOM 0 H ARG A 44 -5.700 3.650 4.504 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.200 0.950 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.498 2.739 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.864 1.496 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.395 0.585 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.945 -0.228 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.588 0.201 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.598 1.372 6.205 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.600 2.978 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.723 0.480 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.412 1.442 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.434 4.040 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.306 3.303 9.982 1.00 0.00 H new ATOM 678 N THR A 45 -5.783 3.087 1.339 1.00 0.00 N ATOM 679 CA THR A 45 -5.828 3.416 -0.069 1.00 0.00 C ATOM 680 C THR A 45 -4.430 3.429 -0.639 1.00 0.00 C ATOM 681 O THR A 45 -4.138 2.782 -1.645 1.00 0.00 O ATOM 682 CB THR A 45 -6.388 4.844 -0.176 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.443 5.086 0.738 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.834 5.143 -1.590 1.00 0.00 C ATOM 0 H THR A 45 -5.791 3.929 1.915 1.00 0.00 H new ATOM 0 HA THR A 45 -6.435 2.689 -0.608 1.00 0.00 H new ATOM 0 HB THR A 45 -5.574 5.519 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.763 6.006 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.226 6.159 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.985 5.048 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.612 4.438 -1.883 1.00 0.00 H new ATOM 692 N VAL A 46 -3.551 4.169 0.036 1.00 0.00 N ATOM 693 CA VAL A 46 -2.210 4.442 -0.436 1.00 0.00 C ATOM 694 C VAL A 46 -1.369 3.156 -0.468 1.00 0.00 C ATOM 695 O VAL A 46 -0.489 2.997 -1.317 1.00 0.00 O ATOM 696 CB VAL A 46 -1.583 5.559 0.416 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.737 5.036 1.567 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.696 6.467 -0.431 1.00 0.00 C ATOM 0 H VAL A 46 -3.761 4.598 0.937 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.244 4.800 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.430 6.110 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.325 5.876 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.356 4.429 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.077 4.428 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.267 7.247 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.106 5.879 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.292 6.925 -1.220 1.00 0.00 H new ATOM 708 N ALA A 47 -1.693 2.210 0.427 1.00 0.00 N ATOM 709 CA ALA A 47 -1.082 0.898 0.518 1.00 0.00 C ATOM 710 C ALA A 47 -1.363 0.077 -0.740 1.00 0.00 C ATOM 711 O ALA A 47 -0.466 -0.555 -1.302 1.00 0.00 O ATOM 712 CB ALA A 47 -1.648 0.171 1.743 1.00 0.00 C ATOM 0 H ALA A 47 -2.418 2.355 1.130 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.003 1.016 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.195 -0.817 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.424 0.745 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.728 0.068 1.638 1.00 0.00 H new ATOM 718 N LYS A 48 -2.619 0.129 -1.208 1.00 0.00 N ATOM 719 CA LYS A 48 -3.062 -0.573 -2.415 1.00 0.00 C ATOM 720 C LYS A 48 -2.502 0.055 -3.698 1.00 0.00 C ATOM 721 O LYS A 48 -2.485 -0.601 -4.740 1.00 0.00 O ATOM 722 CB LYS A 48 -4.600 -0.641 -2.414 1.00 0.00 C ATOM 723 CG LYS A 48 -5.087 -1.721 -1.430 1.00 0.00 C ATOM 724 CD LYS A 48 -6.577 -2.060 -1.581 1.00 0.00 C ATOM 725 CE LYS A 48 -7.501 -0.941 -1.088 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.927 -1.341 -1.222 1.00 0.00 N ATOM 0 H LYS A 48 -3.359 0.664 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.664 -1.587 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.013 0.328 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.962 -0.864 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.500 -2.627 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.901 -1.383 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.792 -2.265 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.794 -2.973 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.279 -0.711 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.318 -0.032 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.537 -0.570 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.140 -1.537 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.102 -2.196 -0.656 1.00 0.00 H new ATOM 736 N TYR A 49 -2.002 1.291 -3.626 1.00 0.00 N ATOM 737 CA TYR A 49 -1.423 2.011 -4.759 1.00 0.00 C ATOM 738 C TYR A 49 0.051 1.688 -4.955 1.00 0.00 C ATOM 739 O TYR A 49 0.422 1.264 -6.052 1.00 0.00 O ATOM 740 CB TYR A 49 -1.680 3.516 -4.636 1.00 0.00 C ATOM 741 CG TYR A 49 -3.025 3.922 -5.218 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.159 3.088 -5.126 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.101 5.113 -5.953 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.343 3.432 -5.808 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.280 5.472 -6.627 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.397 4.618 -6.572 1.00 0.00 C ATOM 747 OH TYR A 49 -6.543 4.988 -7.193 1.00 0.00 O ATOM 0 H TYR A 49 -1.989 1.829 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.926 1.666 -5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.639 3.804 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.886 4.061 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.120 2.186 -4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.241 5.764 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.208 2.789 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.329 6.396 -7.183 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.398 5.831 -7.672 1.00 0.00 H new ATOM 756 N ARG A 50 0.886 1.794 -3.909 1.00 0.00 N ATOM 757 CA ARG A 50 2.309 1.405 -4.026 1.00 0.00 C ATOM 758 C ARG A 50 2.490 -0.030 -4.541 1.00 0.00 C ATOM 759 O ARG A 50 3.475 -0.315 -5.220 1.00 0.00 O ATOM 760 CB ARG A 50 3.109 1.694 -2.738 1.00 0.00 C ATOM 761 CG ARG A 50 2.599 1.049 -1.440 1.00 0.00 C ATOM 762 CD ARG A 50 3.697 0.939 -0.368 1.00 0.00 C ATOM 763 NE ARG A 50 4.446 2.195 -0.141 1.00 0.00 N ATOM 764 CZ ARG A 50 5.545 2.333 0.584 1.00 0.00 C ATOM 765 NH1 ARG A 50 6.072 1.352 1.248 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.174 3.470 0.657 1.00 0.00 N ATOM 0 H ARG A 50 0.613 2.138 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 50 2.741 2.048 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.137 1.368 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.137 2.774 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.769 1.637 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.209 0.055 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.243 0.624 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.399 0.158 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 50 4.080 3.036 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.638 0.429 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.920 1.503 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.822 4.281 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.019 3.550 1.223 1.00 0.00 H new ATOM 777 N GLU A 51 1.491 -0.885 -4.325 1.00 0.00 N ATOM 778 CA GLU A 51 1.457 -2.283 -4.775 1.00 0.00 C ATOM 779 C GLU A 51 1.338 -2.421 -6.306 1.00 0.00 C ATOM 780 O GLU A 51 1.995 -3.278 -6.901 1.00 0.00 O ATOM 781 CB GLU A 51 0.302 -2.999 -4.045 1.00 0.00 C ATOM 782 CG GLU A 51 0.283 -4.533 -4.175 1.00 0.00 C ATOM 783 CD GLU A 51 -0.242 -5.070 -5.524 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.266 -4.562 -6.043 1.00 0.00 O ATOM 785 OE2 GLU A 51 0.336 -6.052 -6.054 1.00 0.00 O ATOM 0 H GLU A 51 0.650 -0.617 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 51 2.407 -2.754 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.350 -2.742 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.642 -2.608 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.295 -4.908 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.333 -4.942 -3.374 1.00 0.00 H new ATOM 790 N MET A 52 0.519 -1.579 -6.952 1.00 0.00 N ATOM 791 CA MET A 52 0.196 -1.675 -8.385 1.00 0.00 C ATOM 792 C MET A 52 1.105 -0.831 -9.297 1.00 0.00 C ATOM 793 O MET A 52 1.275 -1.170 -10.472 1.00 0.00 O ATOM 794 CB MET A 52 -1.292 -1.360 -8.624 1.00 0.00 C ATOM 795 CG MET A 52 -1.656 0.120 -8.458 1.00 0.00 C ATOM 796 SD MET A 52 -3.405 0.503 -8.746 1.00 0.00 S ATOM 797 CE MET A 52 -3.319 2.310 -8.641 1.00 0.00 C ATOM 0 H MET A 52 0.054 -0.799 -6.487 1.00 0.00 H new ATOM 0 HA MET A 52 0.394 -2.708 -8.670 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.562 -1.678 -9.631 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.892 -1.950 -7.932 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.390 0.435 -7.449 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.050 0.709 -9.146 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.315 2.712 -8.456 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.655 2.596 -7.825 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.935 2.711 -9.579 1.00 0.00 H new ATOM 805 N LEU A 53 1.702 0.248 -8.776 1.00 0.00 N ATOM 806 CA LEU A 53 2.631 1.120 -9.504 1.00 0.00 C ATOM 807 C LEU A 53 3.981 0.435 -9.762 1.00 0.00 C ATOM 808 O LEU A 53 4.370 0.251 -10.918 1.00 0.00 O ATOM 809 CB LEU A 53 2.781 2.447 -8.739 1.00 0.00 C ATOM 810 CG LEU A 53 1.643 3.415 -9.105 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.092 4.090 -7.855 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.185 4.453 -10.087 1.00 0.00 C ATOM 0 H LEU A 53 1.548 0.546 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 53 2.220 1.333 -10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.773 2.257 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.743 2.902 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 53 0.825 2.865 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.288 4.771 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.706 3.333 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.887 4.650 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.390 5.148 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.004 5.001 -9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.548 3.951 -10.984 1.00 0.00 H new ATOM 823 N GLY A 54 4.691 0.048 -8.697 1.00 0.00 N ATOM 824 CA GLY A 54 5.912 -0.763 -8.829 1.00 0.00 C ATOM 825 C GLY A 54 6.696 -1.103 -7.555 1.00 0.00 C ATOM 826 O GLY A 54 7.725 -1.777 -7.646 1.00 0.00 O ATOM 0 H GLY A 54 4.444 0.281 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.638 -1.701 -9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.587 -0.241 -9.506 1.00 0.00 H new ATOM 830 N ILE A 55 6.263 -0.650 -6.375 1.00 0.00 N ATOM 831 CA ILE A 55 6.960 -0.871 -5.097 1.00 0.00 C ATOM 832 C ILE A 55 6.529 -2.215 -4.467 1.00 0.00 C ATOM 833 O ILE A 55 5.328 -2.466 -4.325 1.00 0.00 O ATOM 834 CB ILE A 55 6.715 0.333 -4.163 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.548 1.539 -4.653 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.053 0.030 -2.694 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.954 2.893 -4.241 1.00 0.00 C ATOM 0 H ILE A 55 5.404 -0.110 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 55 8.034 -0.943 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 55 5.650 0.561 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.560 1.458 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.627 1.500 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.860 0.914 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.434 -0.795 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.105 -0.245 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.587 3.697 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.953 2.994 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.900 2.951 -3.154 1.00 0.00 H new ATOM 848 N PRO A 56 7.473 -3.090 -4.065 1.00 0.00 N ATOM 849 CA PRO A 56 7.155 -4.330 -3.358 1.00 0.00 C ATOM 850 C PRO A 56 6.713 -4.026 -1.913 1.00 0.00 C ATOM 851 O PRO A 56 5.572 -4.300 -1.538 1.00 0.00 O ATOM 852 CB PRO A 56 8.418 -5.188 -3.467 1.00 0.00 C ATOM 853 CG PRO A 56 9.560 -4.181 -3.621 1.00 0.00 C ATOM 854 CD PRO A 56 8.912 -2.937 -4.233 1.00 0.00 C ATOM 0 HA PRO A 56 6.311 -4.871 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.553 -5.808 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.366 -5.862 -4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.018 -3.954 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.348 -4.573 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.266 -2.033 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.171 -2.845 -5.288 1.00 0.00 H new ATOM 859 N SER A 57 7.592 -3.395 -1.124 1.00 0.00 N ATOM 860 CA SER A 57 7.264 -2.714 0.146 1.00 0.00 C ATOM 861 C SER A 57 8.211 -1.568 0.537 1.00 0.00 C ATOM 862 O SER A 57 8.002 -0.874 1.531 1.00 0.00 O ATOM 863 CB SER A 57 7.241 -3.728 1.292 1.00 0.00 C ATOM 864 OG SER A 57 8.553 -4.172 1.615 1.00 0.00 O ATOM 0 H SER A 57 8.584 -3.340 -1.355 1.00 0.00 H new ATOM 0 HA SER A 57 6.286 -2.265 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.781 -3.276 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.624 -4.582 1.013 1.00 0.00 H new ATOM 0 HG SER A 57 8.508 -4.817 2.351 1.00 0.00 H new ATOM 869 N SER A 58 9.308 -1.397 -0.207 1.00 0.00 N ATOM 870 CA SER A 58 10.512 -0.607 0.118 1.00 0.00 C ATOM 871 C SER A 58 11.270 -1.018 1.389 1.00 0.00 C ATOM 872 O SER A 58 12.476 -0.783 1.459 1.00 0.00 O ATOM 873 CB SER A 58 10.236 0.901 0.129 1.00 0.00 C ATOM 874 OG SER A 58 9.687 1.311 -1.108 1.00 0.00 O ATOM 0 H SER A 58 9.389 -1.839 -1.123 1.00 0.00 H new ATOM 0 HA SER A 58 11.184 -0.849 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.548 1.145 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.161 1.445 0.322 1.00 0.00 H new ATOM 0 HG SER A 58 9.514 2.275 -1.086 1.00 0.00 H new ATOM 879 N ARG A 59 10.642 -1.714 2.346 1.00 0.00 N ATOM 880 CA ARG A 59 11.308 -2.326 3.503 1.00 0.00 C ATOM 881 C ARG A 59 12.193 -3.460 3.009 1.00 0.00 C ATOM 882 O ARG A 59 13.343 -3.565 3.421 1.00 0.00 O ATOM 883 CB ARG A 59 10.242 -2.798 4.511 1.00 0.00 C ATOM 884 CG ARG A 59 10.786 -3.708 5.623 1.00 0.00 C ATOM 885 CD ARG A 59 9.683 -4.080 6.625 1.00 0.00 C ATOM 886 NE ARG A 59 10.111 -5.165 7.527 1.00 0.00 N ATOM 887 CZ ARG A 59 10.942 -5.090 8.550 1.00 0.00 C ATOM 888 NH1 ARG A 59 11.472 -3.967 8.942 1.00 0.00 N ATOM 889 NH2 ARG A 59 11.262 -6.166 9.204 1.00 0.00 N ATOM 0 H ARG A 59 9.634 -1.871 2.337 1.00 0.00 H new ATOM 0 HA ARG A 59 11.944 -1.609 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.777 -1.924 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.459 -3.331 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.203 -4.614 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.599 -3.203 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.414 -3.202 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.788 -4.388 6.084 1.00 0.00 H new ATOM 0 HE ARG A 59 9.717 -6.086 7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.249 -3.100 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.110 -3.954 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.871 -7.066 8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.904 -6.110 9.995 1.00 0.00 H new ATOM 900 N GLU A 60 11.671 -4.260 2.080 1.00 0.00 N ATOM 901 CA GLU A 60 12.369 -5.417 1.527 1.00 0.00 C ATOM 902 C GLU A 60 13.503 -5.032 0.558 1.00 0.00 C ATOM 903 O GLU A 60 14.492 -5.760 0.439 1.00 0.00 O ATOM 904 CB GLU A 60 11.365 -6.421 0.933 1.00 0.00 C ATOM 905 CG GLU A 60 10.658 -5.983 -0.361 1.00 0.00 C ATOM 906 CD GLU A 60 11.305 -6.618 -1.607 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.948 -7.770 -1.961 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.164 -5.969 -2.248 1.00 0.00 O ATOM 0 H GLU A 60 10.740 -4.120 1.686 1.00 0.00 H new ATOM 0 HA GLU A 60 12.878 -5.921 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.889 -7.357 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.605 -6.632 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.606 -6.264 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.694 -4.897 -0.446 1.00 0.00 H new ATOM 913 N ARG A 61 13.403 -3.849 -0.069 1.00 0.00 N ATOM 914 CA ARG A 61 14.473 -3.210 -0.848 1.00 0.00 C ATOM 915 C ARG A 61 15.604 -2.685 0.042 1.00 0.00 C ATOM 916 O ARG A 61 16.777 -2.856 -0.299 1.00 0.00 O ATOM 917 CB ARG A 61 13.885 -2.065 -1.687 1.00 0.00 C ATOM 918 CG ARG A 61 12.778 -2.560 -2.635 1.00 0.00 C ATOM 919 CD ARG A 61 12.482 -1.565 -3.758 1.00 0.00 C ATOM 920 NE ARG A 61 11.869 -0.303 -3.295 1.00 0.00 N ATOM 921 CZ ARG A 61 11.789 0.826 -3.977 1.00 0.00 C ATOM 922 NH1 ARG A 61 12.265 0.970 -5.177 1.00 0.00 N ATOM 923 NH2 ARG A 61 11.207 1.869 -3.479 1.00 0.00 N ATOM 0 H ARG A 61 12.547 -3.294 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 61 14.905 -3.967 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.481 -1.300 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.679 -1.596 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.075 -3.515 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.868 -2.739 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.411 -1.336 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.817 -2.036 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 61 11.468 -0.303 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.729 0.188 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.175 1.865 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.800 1.829 -2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.155 2.732 -4.021 1.00 0.00 H new ATOM 934 N ARG A 62 15.265 -2.037 1.165 1.00 0.00 N ATOM 935 CA ARG A 62 16.196 -1.402 2.098 1.00 0.00 C ATOM 936 C ARG A 62 16.970 -2.407 2.962 1.00 0.00 C ATOM 937 O ARG A 62 18.204 -2.393 2.954 1.00 0.00 O ATOM 938 CB ARG A 62 15.349 -0.446 2.943 1.00 0.00 C ATOM 939 CG ARG A 62 16.170 0.307 3.988 1.00 0.00 C ATOM 940 CD ARG A 62 15.535 0.130 5.362 1.00 0.00 C ATOM 941 NE ARG A 62 16.317 0.841 6.389 1.00 0.00 N ATOM 942 CZ ARG A 62 16.223 0.731 7.700 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.376 -0.079 8.270 1.00 0.00 N ATOM 944 NH2 ARG A 62 16.987 1.447 8.471 1.00 0.00 N ATOM 0 H ARG A 62 14.293 -1.939 1.457 1.00 0.00 H new ATOM 0 HA ARG A 62 16.978 -0.872 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.857 0.273 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.563 -1.011 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.194 -0.066 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.219 1.366 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.513 0.509 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.479 -0.930 5.609 1.00 0.00 H new ATOM 0 HE ARG A 62 17.016 1.498 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.757 -0.655 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.332 -0.137 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.660 2.095 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.913 1.361 9.485 1.00 0.00 H new ATOM 955 N ILE A 63 16.244 -3.196 3.763 1.00 0.00 N ATOM 956 CA ILE A 63 16.753 -4.026 4.880 1.00 0.00 C ATOM 957 C ILE A 63 17.909 -4.975 4.500 1.00 0.00 C ATOM 958 O ILE A 63 17.878 -5.601 3.413 1.00 0.00 O ATOM 959 CB ILE A 63 15.572 -4.722 5.605 1.00 0.00 C ATOM 960 CG1 ILE A 63 15.901 -5.150 7.051 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.054 -5.945 4.829 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.081 -3.963 8.009 1.00 0.00 C ATOM 963 OXT ILE A 63 18.869 -5.074 5.300 1.00 0.00 O ATOM 0 H ILE A 63 15.234 -3.283 3.650 1.00 0.00 H new ATOM 0 HA ILE A 63 17.229 -3.352 5.592 1.00 0.00 H new ATOM 0 HB ILE A 63 14.793 -3.961 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.102 -5.791 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.813 -5.747 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.228 -6.399 5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.709 -5.631 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 63 15.858 -6.672 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.310 -4.333 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 16.899 -3.334 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.162 -3.378 8.041 1.00 0.00 H new