USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.2) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -84:sc= 0.14 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.124 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.3) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.634 (180deg=-2.78!) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0473 (180deg=-0.121) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.738 X(o=-0.74,f=-0.76) USER MOD Single : A 29 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.019 K(o=-0.019,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-3.4) USER MOD Single : A 48 TYR OH : rot -60:sc= 0.0272 USER MOD Single : C 1 MET CE :methyl -143:sc= -1.93 (180deg=-2.58!) USER MOD Single : C 1 MET N :NH3+ 153:sc= 0.0025 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.89) USER MOD Single : C 29 GLN : amide:sc= -1.26 X(o=-1.3,f=-1) USER MOD Single : C 35 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.6!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-2.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.369 10.334 -3.417 1.00 0.00 N ATOM 2 CA MET A 1 -7.375 9.252 -3.557 1.00 0.00 C ATOM 3 C MET A 1 -6.102 9.746 -4.217 1.00 0.00 C ATOM 4 O MET A 1 -6.089 10.780 -4.878 1.00 0.00 O ATOM 5 CB MET A 1 -7.888 8.127 -4.455 1.00 0.00 C ATOM 6 CG MET A 1 -9.049 7.334 -3.867 1.00 0.00 C ATOM 7 SD MET A 1 -8.544 6.075 -2.677 1.00 0.00 S ATOM 8 CE MET A 1 -7.733 5.001 -3.885 1.00 0.00 C ATOM 0 H1 MET A 1 -8.582 10.481 -2.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.986 11.212 -3.822 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.240 10.072 -3.921 1.00 0.00 H new ATOM 0 HA MET A 1 -7.189 8.899 -2.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.200 8.553 -5.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.066 7.443 -4.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.739 8.024 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.597 6.855 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.756 3.971 -3.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.256 5.067 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.698 5.317 -4.016 1.00 0.00 H new ATOM 20 N LEU A 2 -5.029 8.979 -4.026 1.00 0.00 N ATOM 21 CA LEU A 2 -3.783 9.134 -4.753 1.00 0.00 C ATOM 22 C LEU A 2 -3.328 7.727 -5.146 1.00 0.00 C ATOM 23 O LEU A 2 -3.000 6.916 -4.281 1.00 0.00 O ATOM 24 CB LEU A 2 -2.794 9.903 -3.866 1.00 0.00 C ATOM 25 CG LEU A 2 -1.474 10.300 -4.540 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.457 9.169 -4.471 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.662 10.703 -5.999 1.00 0.00 C ATOM 0 H LEU A 2 -5.008 8.219 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.875 9.719 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.284 10.807 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.566 9.293 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.104 11.164 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.468 9.481 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.254 8.925 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.855 8.290 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.698 10.974 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.085 9.867 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.338 11.556 -6.057 1.00 0.00 H new ATOM 39 N ILE A 3 -3.313 7.433 -6.453 1.00 0.00 N ATOM 40 CA ILE A 3 -3.052 6.096 -6.976 1.00 0.00 C ATOM 41 C ILE A 3 -1.724 6.073 -7.728 1.00 0.00 C ATOM 42 O ILE A 3 -1.386 7.025 -8.434 1.00 0.00 O ATOM 43 CB ILE A 3 -4.181 5.669 -7.927 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.542 5.546 -7.227 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.872 4.299 -8.534 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.276 6.881 -7.203 1.00 0.00 C ATOM 0 H ILE A 3 -3.484 8.128 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.004 5.402 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.237 6.450 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.152 4.803 -7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.398 5.190 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.680 4.008 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.937 4.351 -9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.779 3.561 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.236 6.760 -6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.676 7.616 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.442 7.223 -8.224 1.00 0.00 H new ATOM 58 N LEU A 4 -0.972 4.981 -7.573 1.00 0.00 N ATOM 59 CA LEU A 4 0.272 4.763 -8.301 1.00 0.00 C ATOM 60 C LEU A 4 0.649 3.281 -8.285 1.00 0.00 C ATOM 61 O LEU A 4 0.087 2.504 -7.513 1.00 0.00 O ATOM 62 CB LEU A 4 1.375 5.670 -7.733 1.00 0.00 C ATOM 63 CG LEU A 4 1.346 5.908 -6.216 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.734 4.659 -5.430 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.344 7.017 -5.892 1.00 0.00 C ATOM 0 H LEU A 4 -1.213 4.222 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 4 0.140 5.036 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.341 5.238 -7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.314 6.637 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 4 0.330 6.179 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.699 4.876 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.037 3.853 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.744 4.355 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.343 7.206 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.342 6.711 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.061 7.927 -6.421 1.00 0.00 H new ATOM 77 N THR A 5 1.603 2.882 -9.132 1.00 0.00 N ATOM 78 CA THR A 5 2.068 1.499 -9.187 1.00 0.00 C ATOM 79 C THR A 5 3.408 1.342 -8.491 1.00 0.00 C ATOM 80 O THR A 5 4.165 2.301 -8.341 1.00 0.00 O ATOM 81 CB THR A 5 2.247 1.000 -10.625 1.00 0.00 C ATOM 82 OG1 THR A 5 2.952 1.951 -11.391 1.00 0.00 O ATOM 83 CG2 THR A 5 0.929 0.654 -11.303 1.00 0.00 C ATOM 0 H THR A 5 2.069 3.505 -9.792 1.00 0.00 H new ATOM 0 HA THR A 5 1.297 0.913 -8.687 1.00 0.00 H new ATOM 0 HB THR A 5 2.824 0.077 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.060 1.618 -12.306 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.122 0.307 -12.318 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.426 -0.132 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.294 1.539 -11.337 1.00 0.00 H new ATOM 91 N ARG A 6 3.678 0.104 -8.074 1.00 0.00 N ATOM 92 CA ARG A 6 4.924 -0.338 -7.469 1.00 0.00 C ATOM 93 C ARG A 6 5.171 -1.776 -7.905 1.00 0.00 C ATOM 94 O ARG A 6 4.255 -2.436 -8.396 1.00 0.00 O ATOM 95 CB ARG A 6 4.806 -0.295 -5.939 1.00 0.00 C ATOM 96 CG ARG A 6 4.885 1.118 -5.351 1.00 0.00 C ATOM 97 CD ARG A 6 6.336 1.551 -5.126 1.00 0.00 C ATOM 98 NE ARG A 6 7.146 1.463 -6.343 1.00 0.00 N ATOM 99 CZ ARG A 6 7.236 2.410 -7.278 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.571 3.559 -7.157 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.003 2.199 -8.343 1.00 0.00 N ATOM 0 H ARG A 6 2.997 -0.651 -8.156 1.00 0.00 H new ATOM 0 HA ARG A 6 5.742 0.311 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.860 -0.749 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.600 -0.903 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.394 1.821 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.344 1.151 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.352 2.576 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.782 0.927 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 6 7.685 0.609 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.983 3.724 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.651 4.273 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.514 1.321 -8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.081 2.915 -9.065 1.00 0.00 H new ATOM 115 N LYS A 7 6.399 -2.266 -7.728 1.00 0.00 N ATOM 116 CA LYS A 7 6.692 -3.674 -7.954 1.00 0.00 C ATOM 117 C LYS A 7 7.179 -4.313 -6.668 1.00 0.00 C ATOM 118 O LYS A 7 7.645 -3.626 -5.762 1.00 0.00 O ATOM 119 CB LYS A 7 7.734 -3.886 -9.051 1.00 0.00 C ATOM 120 CG LYS A 7 7.143 -3.747 -10.449 1.00 0.00 C ATOM 121 CD LYS A 7 8.081 -4.393 -11.464 1.00 0.00 C ATOM 122 CE LYS A 7 7.342 -4.557 -12.788 1.00 0.00 C ATOM 123 NZ LYS A 7 8.242 -5.071 -13.836 1.00 0.00 N ATOM 0 H LYS A 7 7.200 -1.709 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 7 5.766 -4.144 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.540 -3.163 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.175 -4.877 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.163 -4.222 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.997 -2.694 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.969 -3.776 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.420 -5.363 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.503 -5.240 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.927 -3.598 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.715 -5.174 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.029 -4.406 -13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.618 -5.997 -13.548 1.00 0.00 H new ATOM 137 N VAL A 8 7.065 -5.641 -6.596 1.00 0.00 N ATOM 138 CA VAL A 8 7.491 -6.390 -5.426 1.00 0.00 C ATOM 139 C VAL A 8 8.941 -6.059 -5.078 1.00 0.00 C ATOM 140 O VAL A 8 9.840 -6.247 -5.897 1.00 0.00 O ATOM 141 CB VAL A 8 7.267 -7.882 -5.619 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.756 -8.105 -5.643 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.867 -8.444 -6.904 1.00 0.00 C ATOM 0 H VAL A 8 6.678 -6.217 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 8 6.877 -6.090 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 8 7.768 -8.403 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.547 -9.166 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.324 -7.769 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.318 -7.540 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.662 -9.513 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.423 -7.941 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.945 -8.280 -6.904 1.00 0.00 H new ATOM 153 N GLY A 9 9.162 -5.562 -3.857 1.00 0.00 N ATOM 154 CA GLY A 9 10.491 -5.207 -3.385 1.00 0.00 C ATOM 155 C GLY A 9 10.722 -3.696 -3.349 1.00 0.00 C ATOM 156 O GLY A 9 11.846 -3.256 -3.119 1.00 0.00 O ATOM 0 H GLY A 9 8.422 -5.397 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.638 -5.617 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.237 -5.669 -4.032 1.00 0.00 H new ATOM 160 N GLU A 10 9.671 -2.893 -3.565 1.00 0.00 N ATOM 161 CA GLU A 10 9.774 -1.438 -3.572 1.00 0.00 C ATOM 162 C GLU A 10 8.953 -0.846 -2.428 1.00 0.00 C ATOM 163 O GLU A 10 8.328 -1.587 -1.668 1.00 0.00 O ATOM 164 CB GLU A 10 9.328 -0.887 -4.927 1.00 0.00 C ATOM 165 CG GLU A 10 10.218 -1.414 -6.055 1.00 0.00 C ATOM 166 CD GLU A 10 9.842 -0.781 -7.395 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.643 -0.480 -7.581 1.00 0.00 O ATOM 168 OE2 GLU A 10 10.763 -0.609 -8.224 1.00 0.00 O ATOM 0 H GLU A 10 8.728 -3.240 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 10 10.814 -1.149 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.292 -1.169 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.364 0.202 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.262 -1.200 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.122 -2.498 -6.122 1.00 0.00 H new ATOM 175 N SER A 11 8.949 0.486 -2.298 1.00 0.00 N ATOM 176 CA SER A 11 8.340 1.142 -1.149 1.00 0.00 C ATOM 177 C SER A 11 7.592 2.418 -1.528 1.00 0.00 C ATOM 178 O SER A 11 7.682 2.912 -2.651 1.00 0.00 O ATOM 179 CB SER A 11 9.427 1.486 -0.128 1.00 0.00 C ATOM 180 OG SER A 11 10.104 0.315 0.275 1.00 0.00 O ATOM 0 H SER A 11 9.362 1.125 -2.977 1.00 0.00 H new ATOM 0 HA SER A 11 7.613 0.447 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.134 2.193 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.981 1.974 0.739 1.00 0.00 H new ATOM 0 HG SER A 11 10.798 0.546 0.927 1.00 0.00 H new ATOM 186 N ILE A 12 6.844 2.937 -0.548 1.00 0.00 N ATOM 187 CA ILE A 12 6.025 4.141 -0.615 1.00 0.00 C ATOM 188 C ILE A 12 6.147 4.830 0.746 1.00 0.00 C ATOM 189 O ILE A 12 6.577 4.201 1.713 1.00 0.00 O ATOM 190 CB ILE A 12 4.572 3.733 -0.922 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.425 3.168 -2.341 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.586 4.891 -0.732 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.726 4.201 -3.428 1.00 0.00 C ATOM 0 H ILE A 12 6.795 2.495 0.370 1.00 0.00 H new ATOM 0 HA ILE A 12 6.347 4.825 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 12 4.327 2.952 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.097 2.318 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.410 2.793 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.576 4.550 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.626 5.238 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.853 5.710 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.605 3.742 -4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.038 5.041 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.750 4.557 -3.318 1.00 0.00 H new ATOM 205 N ASN A 13 5.777 6.109 0.850 1.00 0.00 N ATOM 206 CA ASN A 13 5.927 6.848 2.094 1.00 0.00 C ATOM 207 C ASN A 13 4.708 7.716 2.387 1.00 0.00 C ATOM 208 O ASN A 13 3.979 8.111 1.476 1.00 0.00 O ATOM 209 CB ASN A 13 7.192 7.708 2.027 1.00 0.00 C ATOM 210 CG ASN A 13 8.447 6.857 1.907 1.00 0.00 C ATOM 211 OD1 ASN A 13 8.897 6.545 0.807 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.020 6.469 3.039 1.00 0.00 N ATOM 0 H ASN A 13 5.372 6.649 0.085 1.00 0.00 H new ATOM 0 HA ASN A 13 6.015 6.130 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.128 8.383 1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.258 8.329 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.861 5.893 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.619 6.747 3.935 1.00 0.00 H new ATOM 219 N ILE A 14 4.499 8.007 3.677 1.00 0.00 N ATOM 220 CA ILE A 14 3.375 8.800 4.155 1.00 0.00 C ATOM 221 C ILE A 14 3.859 9.709 5.285 1.00 0.00 C ATOM 222 O ILE A 14 4.721 9.322 6.081 1.00 0.00 O ATOM 223 CB ILE A 14 2.250 7.876 4.654 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.812 6.917 3.537 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.062 8.706 5.154 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.716 5.961 3.994 1.00 0.00 C ATOM 0 H ILE A 14 5.118 7.691 4.423 1.00 0.00 H new ATOM 0 HA ILE A 14 2.980 9.409 3.342 1.00 0.00 H new ATOM 0 HB ILE A 14 2.628 7.282 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.455 7.494 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.673 6.343 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.274 8.039 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.386 9.347 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.681 9.323 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.440 5.303 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.080 5.363 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.157 6.532 4.310 1.00 0.00 H new ATOM 238 N GLY A 15 3.305 10.924 5.359 1.00 0.00 N ATOM 239 CA GLY A 15 3.701 11.895 6.366 1.00 0.00 C ATOM 240 C GLY A 15 5.213 12.099 6.332 1.00 0.00 C ATOM 241 O GLY A 15 5.808 12.214 5.262 1.00 0.00 O ATOM 0 H GLY A 15 2.577 11.253 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.194 12.843 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.395 11.551 7.354 1.00 0.00 H new ATOM 245 N ASP A 16 5.826 12.141 7.514 1.00 0.00 N ATOM 246 CA ASP A 16 7.271 12.256 7.660 1.00 0.00 C ATOM 247 C ASP A 16 7.771 11.266 8.717 1.00 0.00 C ATOM 248 O ASP A 16 8.896 11.386 9.198 1.00 0.00 O ATOM 249 CB ASP A 16 7.655 13.706 7.983 1.00 0.00 C ATOM 250 CG ASP A 16 7.140 14.173 9.340 1.00 0.00 C ATOM 251 OD1 ASP A 16 5.899 14.235 9.499 1.00 0.00 O ATOM 252 OD2 ASP A 16 7.989 14.469 10.209 1.00 0.00 O ATOM 0 H ASP A 16 5.327 12.096 8.403 1.00 0.00 H new ATOM 0 HA ASP A 16 7.759 11.998 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.741 13.802 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.261 14.362 7.206 1.00 0.00 H new ATOM 257 N ASP A 17 6.932 10.289 9.084 1.00 0.00 N ATOM 258 CA ASP A 17 7.265 9.267 10.068 1.00 0.00 C ATOM 259 C ASP A 17 6.715 7.891 9.670 1.00 0.00 C ATOM 260 O ASP A 17 6.780 6.965 10.476 1.00 0.00 O ATOM 261 CB ASP A 17 6.712 9.649 11.448 1.00 0.00 C ATOM 262 CG ASP A 17 7.333 10.935 11.992 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.534 10.893 12.332 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.595 11.945 12.064 1.00 0.00 O ATOM 0 H ASP A 17 5.993 10.190 8.698 1.00 0.00 H new ATOM 0 HA ASP A 17 8.353 9.206 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.631 9.771 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.898 8.835 12.148 1.00 0.00 H new ATOM 269 N ILE A 18 6.179 7.738 8.453 1.00 0.00 N ATOM 270 CA ILE A 18 5.600 6.464 8.040 1.00 0.00 C ATOM 271 C ILE A 18 6.148 6.033 6.682 1.00 0.00 C ATOM 272 O ILE A 18 6.454 6.866 5.827 1.00 0.00 O ATOM 273 CB ILE A 18 4.062 6.554 8.000 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.473 6.942 9.360 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.465 5.210 7.575 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.292 8.457 9.466 1.00 0.00 C ATOM 0 H ILE A 18 6.136 8.474 7.748 1.00 0.00 H new ATOM 0 HA ILE A 18 5.881 5.710 8.775 1.00 0.00 H new ATOM 0 HB ILE A 18 3.808 7.330 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.512 6.447 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.129 6.594 10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.378 5.286 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.833 4.946 6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.759 4.440 8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.872 8.706 10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.258 8.948 9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.616 8.798 8.682 1.00 0.00 H new ATOM 288 N THR A 19 6.267 4.718 6.502 1.00 0.00 N ATOM 289 CA THR A 19 6.722 4.100 5.268 1.00 0.00 C ATOM 290 C THR A 19 5.884 2.849 5.019 1.00 0.00 C ATOM 291 O THR A 19 5.346 2.262 5.956 1.00 0.00 O ATOM 292 CB THR A 19 8.210 3.755 5.398 1.00 0.00 C ATOM 293 OG1 THR A 19 8.951 4.927 5.657 1.00 0.00 O ATOM 294 CG2 THR A 19 8.772 3.108 4.134 1.00 0.00 C ATOM 0 H THR A 19 6.043 4.041 7.231 1.00 0.00 H new ATOM 0 HA THR A 19 6.603 4.779 4.423 1.00 0.00 H new ATOM 0 HB THR A 19 8.297 3.043 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.901 4.702 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.829 2.884 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.230 2.185 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.658 3.793 3.293 1.00 0.00 H new ATOM 302 N ILE A 20 5.770 2.448 3.753 1.00 0.00 N ATOM 303 CA ILE A 20 4.976 1.311 3.314 1.00 0.00 C ATOM 304 C ILE A 20 5.814 0.525 2.312 1.00 0.00 C ATOM 305 O ILE A 20 6.636 1.108 1.604 1.00 0.00 O ATOM 306 CB ILE A 20 3.682 1.820 2.653 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.845 2.688 3.602 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.838 0.652 2.131 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.277 1.902 4.782 1.00 0.00 C ATOM 0 H ILE A 20 6.244 2.923 2.985 1.00 0.00 H new ATOM 0 HA ILE A 20 4.703 0.672 4.154 1.00 0.00 H new ATOM 0 HB ILE A 20 3.985 2.446 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.462 3.504 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.025 3.140 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.929 1.038 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.411 0.091 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.573 -0.004 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.695 2.569 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.635 1.102 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.095 1.472 5.360 1.00 0.00 H new ATOM 321 N THR A 21 5.615 -0.793 2.240 1.00 0.00 N ATOM 322 CA THR A 21 6.420 -1.640 1.369 1.00 0.00 C ATOM 323 C THR A 21 5.564 -2.747 0.774 1.00 0.00 C ATOM 324 O THR A 21 4.580 -3.168 1.376 1.00 0.00 O ATOM 325 CB THR A 21 7.584 -2.236 2.173 1.00 0.00 C ATOM 326 OG1 THR A 21 8.196 -1.238 2.962 1.00 0.00 O ATOM 327 CG2 THR A 21 8.651 -2.837 1.258 1.00 0.00 C ATOM 0 H THR A 21 4.904 -1.292 2.775 1.00 0.00 H new ATOM 0 HA THR A 21 6.820 -1.041 0.551 1.00 0.00 H new ATOM 0 HB THR A 21 7.167 -3.021 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.936 -1.631 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.459 -3.249 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.209 -3.630 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.048 -2.061 0.603 1.00 0.00 H new ATOM 335 N ILE A 22 5.943 -3.217 -0.415 1.00 0.00 N ATOM 336 CA ILE A 22 5.267 -4.300 -1.114 1.00 0.00 C ATOM 337 C ILE A 22 6.214 -5.497 -1.107 1.00 0.00 C ATOM 338 O ILE A 22 7.025 -5.671 -2.012 1.00 0.00 O ATOM 339 CB ILE A 22 4.834 -3.827 -2.511 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.356 -4.973 -3.402 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.943 -3.091 -3.262 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.273 -5.798 -2.729 1.00 0.00 C ATOM 0 H ILE A 22 6.744 -2.846 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 22 4.342 -4.608 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 22 4.009 -3.143 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.975 -4.569 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.200 -5.616 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.576 -2.782 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.245 -2.211 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.799 -3.754 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.961 -6.602 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.662 -6.224 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.418 -5.161 -2.504 1.00 0.00 H new ATOM 354 N LEU A 23 6.103 -6.329 -0.065 1.00 0.00 N ATOM 355 CA LEU A 23 7.068 -7.388 0.192 1.00 0.00 C ATOM 356 C LEU A 23 7.001 -8.502 -0.845 1.00 0.00 C ATOM 357 O LEU A 23 7.990 -9.212 -1.040 1.00 0.00 O ATOM 358 CB LEU A 23 6.847 -7.965 1.592 1.00 0.00 C ATOM 359 CG LEU A 23 6.770 -6.886 2.676 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.730 -7.543 4.045 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.976 -5.955 2.666 1.00 0.00 C ATOM 0 H LEU A 23 5.345 -6.283 0.616 1.00 0.00 H new ATOM 0 HA LEU A 23 8.061 -6.944 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.925 -8.546 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.659 -8.653 1.828 1.00 0.00 H new ATOM 0 HG LEU A 23 5.871 -6.306 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.675 -6.774 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.854 -8.189 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.632 -8.138 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.868 -5.211 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.884 -6.534 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.041 -5.454 1.700 1.00 0.00 H new ATOM 373 N GLY A 24 5.859 -8.668 -1.522 1.00 0.00 N ATOM 374 CA GLY A 24 5.759 -9.663 -2.577 1.00 0.00 C ATOM 375 C GLY A 24 4.331 -9.858 -3.069 1.00 0.00 C ATOM 376 O GLY A 24 3.408 -9.171 -2.638 1.00 0.00 O ATOM 0 H GLY A 24 5.007 -8.132 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.389 -9.363 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.146 -10.614 -2.211 1.00 0.00 H new ATOM 380 N VAL A 25 4.167 -10.813 -3.986 1.00 0.00 N ATOM 381 CA VAL A 25 2.904 -11.087 -4.650 1.00 0.00 C ATOM 382 C VAL A 25 2.731 -12.593 -4.815 1.00 0.00 C ATOM 383 O VAL A 25 3.701 -13.317 -5.040 1.00 0.00 O ATOM 384 CB VAL A 25 2.889 -10.346 -5.994 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.020 -10.789 -6.924 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.552 -10.531 -6.709 1.00 0.00 C ATOM 0 H VAL A 25 4.925 -11.425 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 25 2.063 -10.730 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 25 3.038 -9.292 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.961 -10.233 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.981 -10.595 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.925 -11.855 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.570 -9.995 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.382 -11.592 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.749 -10.138 -6.086 1.00 0.00 H new ATOM 396 N SER A 26 1.483 -13.056 -4.701 1.00 0.00 N ATOM 397 CA SER A 26 1.136 -14.468 -4.757 1.00 0.00 C ATOM 398 C SER A 26 -0.268 -14.607 -5.331 1.00 0.00 C ATOM 399 O SER A 26 -1.217 -14.902 -4.605 1.00 0.00 O ATOM 400 CB SER A 26 1.208 -15.085 -3.358 1.00 0.00 C ATOM 401 OG SER A 26 2.503 -14.940 -2.810 1.00 0.00 O ATOM 0 H SER A 26 0.677 -12.446 -4.565 1.00 0.00 H new ATOM 0 HA SER A 26 1.843 -14.997 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.477 -14.606 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.946 -16.142 -3.408 1.00 0.00 H new ATOM 0 HG SER A 26 2.526 -15.340 -1.915 1.00 0.00 H new ATOM 407 N GLY A 27 -0.408 -14.395 -6.645 1.00 0.00 N ATOM 408 CA GLY A 27 -1.713 -14.424 -7.276 1.00 0.00 C ATOM 409 C GLY A 27 -2.498 -13.192 -6.850 1.00 0.00 C ATOM 410 O GLY A 27 -1.940 -12.098 -6.764 1.00 0.00 O ATOM 0 H GLY A 27 0.367 -14.203 -7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.606 -14.446 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.249 -15.329 -6.990 1.00 0.00 H new ATOM 414 N GLN A 28 -3.794 -13.358 -6.577 1.00 0.00 N ATOM 415 CA GLN A 28 -4.617 -12.262 -6.098 1.00 0.00 C ATOM 416 C GLN A 28 -4.169 -11.815 -4.705 1.00 0.00 C ATOM 417 O GLN A 28 -4.543 -10.719 -4.293 1.00 0.00 O ATOM 418 CB GLN A 28 -6.093 -12.677 -6.084 1.00 0.00 C ATOM 419 CG GLN A 28 -6.724 -12.526 -7.474 1.00 0.00 C ATOM 420 CD GLN A 28 -5.824 -13.052 -8.584 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.687 -14.258 -8.774 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.197 -12.145 -9.330 1.00 0.00 N ATOM 0 H GLN A 28 -4.290 -14.243 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.498 -11.418 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.180 -13.712 -5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.639 -12.066 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.674 -13.059 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.944 -11.474 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.333 -11.151 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.581 -12.444 -10.086 1.00 0.00 H new ATOM 431 N GLN A 29 -3.385 -12.625 -3.983 1.00 0.00 N ATOM 432 CA GLN A 29 -2.901 -12.256 -2.666 1.00 0.00 C ATOM 433 C GLN A 29 -1.629 -11.420 -2.817 1.00 0.00 C ATOM 434 O GLN A 29 -0.886 -11.573 -3.784 1.00 0.00 O ATOM 435 CB GLN A 29 -2.598 -13.524 -1.865 1.00 0.00 C ATOM 436 CG GLN A 29 -2.638 -13.245 -0.361 1.00 0.00 C ATOM 437 CD GLN A 29 -4.025 -13.474 0.227 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.636 -12.560 0.771 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.529 -14.699 0.121 1.00 0.00 N ATOM 0 H GLN A 29 -3.076 -13.544 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.658 -11.673 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.324 -14.298 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.616 -13.907 -2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.919 -13.888 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.331 -12.216 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.991 -15.434 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.454 -14.904 0.499 1.00 0.00 H new ATOM 448 N VAL A 30 -1.383 -10.531 -1.856 1.00 0.00 N ATOM 449 CA VAL A 30 -0.233 -9.649 -1.881 1.00 0.00 C ATOM 450 C VAL A 30 0.254 -9.485 -0.449 1.00 0.00 C ATOM 451 O VAL A 30 -0.557 -9.244 0.441 1.00 0.00 O ATOM 452 CB VAL A 30 -0.680 -8.298 -2.461 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.502 -7.345 -2.579 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.278 -8.452 -3.862 1.00 0.00 C ATOM 0 H VAL A 30 -1.981 -10.407 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 30 0.574 -10.049 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.432 -7.904 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.163 -6.395 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.935 -7.179 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.255 -7.779 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.582 -7.475 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.532 -8.882 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.146 -9.109 -3.817 1.00 0.00 H new ATOM 464 N ARG A 31 1.564 -9.608 -0.209 1.00 0.00 N ATOM 465 CA ARG A 31 2.109 -9.416 1.129 1.00 0.00 C ATOM 466 C ARG A 31 2.676 -8.010 1.213 1.00 0.00 C ATOM 467 O ARG A 31 3.442 -7.591 0.347 1.00 0.00 O ATOM 468 CB ARG A 31 3.174 -10.471 1.447 1.00 0.00 C ATOM 469 CG ARG A 31 3.403 -10.540 2.962 1.00 0.00 C ATOM 470 CD ARG A 31 4.574 -11.448 3.340 1.00 0.00 C ATOM 471 NE ARG A 31 4.448 -12.789 2.744 1.00 0.00 N ATOM 472 CZ ARG A 31 4.174 -13.907 3.422 1.00 0.00 C ATOM 473 NH1 ARG A 31 3.960 -13.884 4.737 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.108 -15.066 2.778 1.00 0.00 N ATOM 0 H ARG A 31 2.257 -9.838 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 31 1.321 -9.536 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.857 -11.445 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.107 -10.223 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.589 -9.536 3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.496 -10.902 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.507 -10.991 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.628 -11.537 4.425 1.00 0.00 H new ATOM 0 HE ARG A 31 4.580 -12.870 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.004 -13.001 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.752 -14.750 5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.266 -15.100 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.899 -15.923 3.290 1.00 0.00 H new ATOM 488 N ILE A 32 2.293 -7.285 2.266 1.00 0.00 N ATOM 489 CA ILE A 32 2.572 -5.866 2.380 1.00 0.00 C ATOM 490 C ILE A 32 3.231 -5.587 3.728 1.00 0.00 C ATOM 491 O ILE A 32 3.032 -6.330 4.685 1.00 0.00 O ATOM 492 CB ILE A 32 1.253 -5.085 2.222 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.395 -5.682 1.091 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.547 -3.607 1.949 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.835 -4.832 0.765 1.00 0.00 C ATOM 0 H ILE A 32 1.781 -7.672 3.059 1.00 0.00 H new ATOM 0 HA ILE A 32 3.259 -5.544 1.597 1.00 0.00 H new ATOM 0 HB ILE A 32 0.690 -5.166 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.006 -5.787 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.073 -6.684 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.609 -3.064 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.113 -3.189 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.129 -3.515 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.400 -5.303 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.465 -4.749 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.517 -3.838 0.451 1.00 0.00 H new ATOM 507 N GLY A 33 4.016 -4.511 3.791 1.00 0.00 N ATOM 508 CA GLY A 33 4.751 -4.108 4.981 1.00 0.00 C ATOM 509 C GLY A 33 4.389 -2.680 5.351 1.00 0.00 C ATOM 510 O GLY A 33 4.009 -1.886 4.492 1.00 0.00 O ATOM 0 H GLY A 33 4.159 -3.885 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.517 -4.778 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.823 -4.186 4.801 1.00 0.00 H new ATOM 514 N ILE A 34 4.506 -2.358 6.639 1.00 0.00 N ATOM 515 CA ILE A 34 4.211 -1.035 7.160 1.00 0.00 C ATOM 516 C ILE A 34 5.250 -0.718 8.218 1.00 0.00 C ATOM 517 O ILE A 34 5.670 -1.599 8.969 1.00 0.00 O ATOM 518 CB ILE A 34 2.798 -1.005 7.763 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.757 -1.438 6.720 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.478 0.398 8.280 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.350 -1.532 7.310 1.00 0.00 C ATOM 0 H ILE A 34 4.812 -3.019 7.353 1.00 0.00 H new ATOM 0 HA ILE A 34 4.245 -0.292 6.363 1.00 0.00 H new ATOM 0 HB ILE A 34 2.761 -1.706 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.756 -0.727 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.041 -2.406 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.474 0.409 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.200 0.677 9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.531 1.110 7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.350 -1.841 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.342 -2.263 8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.053 -0.558 7.699 1.00 0.00 H new ATOM 533 N ASN A 35 5.669 0.542 8.285 1.00 0.00 N ATOM 534 CA ASN A 35 6.735 0.939 9.181 1.00 0.00 C ATOM 535 C ASN A 35 6.449 2.332 9.731 1.00 0.00 C ATOM 536 O ASN A 35 6.610 3.333 9.033 1.00 0.00 O ATOM 537 CB ASN A 35 8.048 0.863 8.406 1.00 0.00 C ATOM 538 CG ASN A 35 9.261 0.794 9.324 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.265 1.353 10.417 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.296 0.094 8.876 1.00 0.00 N ATOM 0 H ASN A 35 5.282 1.302 7.726 1.00 0.00 H new ATOM 0 HA ASN A 35 6.807 0.275 10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.035 -0.014 7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.135 1.735 7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.137 0.005 9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.251 -0.355 7.961 1.00 0.00 H new ATOM 547 N ALA A 36 6.020 2.376 10.993 1.00 0.00 N ATOM 548 CA ALA A 36 5.648 3.596 11.684 1.00 0.00 C ATOM 549 C ALA A 36 5.914 3.433 13.180 1.00 0.00 C ATOM 550 O ALA A 36 6.011 2.306 13.664 1.00 0.00 O ATOM 551 CB ALA A 36 4.160 3.847 11.448 1.00 0.00 C ATOM 0 H ALA A 36 5.922 1.541 11.570 1.00 0.00 H new ATOM 0 HA ALA A 36 6.232 4.437 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.860 4.761 11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.974 3.952 10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.583 3.007 11.836 1.00 0.00 H new ATOM 557 N PRO A 37 6.034 4.540 13.920 1.00 0.00 N ATOM 558 CA PRO A 37 6.169 4.511 15.365 1.00 0.00 C ATOM 559 C PRO A 37 4.900 3.960 16.004 1.00 0.00 C ATOM 560 O PRO A 37 3.814 4.090 15.444 1.00 0.00 O ATOM 561 CB PRO A 37 6.411 5.965 15.771 1.00 0.00 C ATOM 562 CG PRO A 37 5.815 6.788 14.630 1.00 0.00 C ATOM 563 CD PRO A 37 6.042 5.902 13.412 1.00 0.00 C ATOM 0 HA PRO A 37 6.983 3.865 15.694 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.929 6.197 16.721 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.474 6.170 15.895 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.756 6.991 14.789 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.312 7.752 14.526 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.259 6.049 12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.990 6.135 12.927 1.00 0.00 H new ATOM 571 N LYS A 38 5.022 3.345 17.184 1.00 0.00 N ATOM 572 CA LYS A 38 3.862 2.842 17.918 1.00 0.00 C ATOM 573 C LYS A 38 3.020 4.003 18.451 1.00 0.00 C ATOM 574 O LYS A 38 1.978 3.784 19.065 1.00 0.00 O ATOM 575 CB LYS A 38 4.322 1.919 19.047 1.00 0.00 C ATOM 576 CG LYS A 38 4.957 0.648 18.480 1.00 0.00 C ATOM 577 CD LYS A 38 3.897 -0.299 17.918 1.00 0.00 C ATOM 578 CE LYS A 38 3.567 -1.392 18.937 1.00 0.00 C ATOM 579 NZ LYS A 38 2.412 -2.202 18.506 1.00 0.00 N ATOM 0 H LYS A 38 5.915 3.184 17.650 1.00 0.00 H new ATOM 0 HA LYS A 38 3.232 2.264 17.241 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.041 2.440 19.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.473 1.657 19.678 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.665 0.912 17.695 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.523 0.141 19.262 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.995 0.260 17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.257 -0.751 16.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.435 -2.037 19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.353 -0.937 19.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.215 -2.933 19.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.579 -1.589 18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.627 -2.656 17.595 1.00 0.00 H new ATOM 593 N ASP A 39 3.476 5.234 18.211 1.00 0.00 N ATOM 594 CA ASP A 39 2.727 6.449 18.496 1.00 0.00 C ATOM 595 C ASP A 39 1.529 6.572 17.551 1.00 0.00 C ATOM 596 O ASP A 39 0.697 7.463 17.719 1.00 0.00 O ATOM 597 CB ASP A 39 3.643 7.662 18.320 1.00 0.00 C ATOM 598 CG ASP A 39 4.694 7.722 19.425 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.390 8.321 20.479 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.796 7.166 19.208 1.00 0.00 O ATOM 0 H ASP A 39 4.395 5.412 17.805 1.00 0.00 H new ATOM 0 HA ASP A 39 2.362 6.407 19.522 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.135 7.612 17.349 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.048 8.575 18.330 1.00 0.00 H new ATOM 605 N VAL A 40 1.443 5.678 16.561 1.00 0.00 N ATOM 606 CA VAL A 40 0.331 5.607 15.626 1.00 0.00 C ATOM 607 C VAL A 40 -0.051 4.141 15.445 1.00 0.00 C ATOM 608 O VAL A 40 0.678 3.250 15.885 1.00 0.00 O ATOM 609 CB VAL A 40 0.683 6.269 14.287 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.158 7.710 14.485 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.796 5.529 13.553 1.00 0.00 C ATOM 0 H VAL A 40 2.160 4.974 16.389 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.521 6.158 16.025 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.234 6.241 13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.399 8.150 13.517 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.368 8.291 14.961 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.045 7.717 15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.010 6.035 12.611 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.694 5.517 14.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.481 4.505 13.351 1.00 0.00 H new ATOM 621 N ALA A 41 -1.186 3.875 14.800 1.00 0.00 N ATOM 622 CA ALA A 41 -1.720 2.526 14.714 1.00 0.00 C ATOM 623 C ALA A 41 -1.870 2.072 13.266 1.00 0.00 C ATOM 624 O ALA A 41 -1.995 2.900 12.367 1.00 0.00 O ATOM 625 CB ALA A 41 -3.065 2.490 15.432 1.00 0.00 C ATOM 0 H ALA A 41 -1.751 4.582 14.330 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.024 1.836 15.191 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.480 1.484 15.377 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.927 2.769 16.477 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.750 3.192 14.956 1.00 0.00 H new ATOM 631 N VAL A 42 -1.857 0.752 13.047 1.00 0.00 N ATOM 632 CA VAL A 42 -2.002 0.164 11.724 1.00 0.00 C ATOM 633 C VAL A 42 -2.746 -1.166 11.852 1.00 0.00 C ATOM 634 O VAL A 42 -2.390 -1.988 12.692 1.00 0.00 O ATOM 635 CB VAL A 42 -0.618 -0.047 11.076 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.283 1.185 11.208 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.155 -1.204 11.703 1.00 0.00 C ATOM 0 H VAL A 42 -1.745 0.064 13.791 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.572 0.837 11.084 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.843 -0.256 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.245 0.985 10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.191 2.036 10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.437 1.412 12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.121 -1.307 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.310 -1.006 12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.413 -2.127 11.585 1.00 0.00 H new ATOM 647 N HIS A 43 -3.777 -1.402 11.034 1.00 0.00 N ATOM 648 CA HIS A 43 -4.497 -2.673 11.072 1.00 0.00 C ATOM 649 C HIS A 43 -5.239 -2.947 9.772 1.00 0.00 C ATOM 650 O HIS A 43 -5.368 -2.075 8.912 1.00 0.00 O ATOM 651 CB HIS A 43 -5.550 -2.689 12.192 1.00 0.00 C ATOM 652 CG HIS A 43 -5.144 -2.045 13.494 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.530 -2.709 14.559 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.321 -0.732 13.823 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.349 -1.775 15.505 1.00 0.00 C ATOM 656 NE2 HIS A 43 -4.811 -0.585 15.093 1.00 0.00 N ATOM 0 H HIS A 43 -4.127 -0.736 10.345 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.735 -3.434 11.242 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.447 -2.189 11.827 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.822 -3.725 12.392 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.274 -3.695 14.607 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.770 0.036 13.211 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.893 -1.957 16.467 1.00 0.00 H new ATOM 664 N ARG A 44 -5.729 -4.182 9.646 1.00 0.00 N ATOM 665 CA ARG A 44 -6.629 -4.582 8.579 1.00 0.00 C ATOM 666 C ARG A 44 -7.893 -3.732 8.663 1.00 0.00 C ATOM 667 O ARG A 44 -8.276 -3.299 9.749 1.00 0.00 O ATOM 668 CB ARG A 44 -6.978 -6.063 8.745 1.00 0.00 C ATOM 669 CG ARG A 44 -5.744 -6.954 8.582 1.00 0.00 C ATOM 670 CD ARG A 44 -6.021 -8.366 9.105 1.00 0.00 C ATOM 671 NE ARG A 44 -7.136 -9.014 8.405 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.825 -10.050 8.900 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.528 -10.551 10.098 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.817 -10.588 8.201 1.00 0.00 N ATOM 0 H ARG A 44 -5.505 -4.937 10.294 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.157 -4.436 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.418 -6.226 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.731 -6.345 8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.459 -7.000 7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.902 -6.520 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.123 -8.974 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.244 -8.318 10.171 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.402 -8.654 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.770 -10.145 10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.059 -11.340 10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.057 -10.212 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.340 -11.377 8.581 1.00 0.00 H new ATOM 688 N GLU A 45 -8.550 -3.491 7.528 1.00 0.00 N ATOM 689 CA GLU A 45 -9.779 -2.706 7.495 1.00 0.00 C ATOM 690 C GLU A 45 -10.874 -3.362 8.336 1.00 0.00 C ATOM 691 O GLU A 45 -11.791 -2.684 8.795 1.00 0.00 O ATOM 692 CB GLU A 45 -10.192 -2.525 6.028 1.00 0.00 C ATOM 693 CG GLU A 45 -11.388 -1.587 5.838 1.00 0.00 C ATOM 694 CD GLU A 45 -12.742 -2.271 6.017 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.787 -3.523 5.998 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.735 -1.526 6.172 1.00 0.00 O ATOM 0 H GLU A 45 -8.247 -3.832 6.615 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.614 -1.724 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.343 -2.136 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.435 -3.500 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.310 -0.765 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.341 -1.151 4.840 1.00 0.00 H new ATOM 703 N GLU A 46 -10.785 -4.680 8.546 1.00 0.00 N ATOM 704 CA GLU A 46 -11.753 -5.403 9.357 1.00 0.00 C ATOM 705 C GLU A 46 -11.467 -5.202 10.848 1.00 0.00 C ATOM 706 O GLU A 46 -12.385 -4.988 11.637 1.00 0.00 O ATOM 707 CB GLU A 46 -11.654 -6.888 8.993 1.00 0.00 C ATOM 708 CG GLU A 46 -12.804 -7.709 9.579 1.00 0.00 C ATOM 709 CD GLU A 46 -14.129 -7.383 8.891 1.00 0.00 C ATOM 710 OE1 GLU A 46 -14.274 -7.775 7.711 1.00 0.00 O ATOM 711 OE2 GLU A 46 -14.987 -6.748 9.545 1.00 0.00 O ATOM 0 H GLU A 46 -10.044 -5.265 8.160 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.758 -5.029 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.651 -6.994 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.706 -7.286 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.587 -8.772 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.888 -7.509 10.647 1.00 0.00 H new ATOM 718 N ILE A 47 -10.188 -5.267 11.236 1.00 0.00 N ATOM 719 CA ILE A 47 -9.775 -5.115 12.626 1.00 0.00 C ATOM 720 C ILE A 47 -9.965 -3.670 13.072 1.00 0.00 C ATOM 721 O ILE A 47 -10.289 -3.417 14.231 1.00 0.00 O ATOM 722 CB ILE A 47 -8.297 -5.527 12.758 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.126 -7.043 12.922 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.652 -4.892 13.994 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.864 -7.881 11.876 1.00 0.00 C ATOM 0 H ILE A 47 -9.414 -5.427 10.591 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.387 -5.754 13.263 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.822 -5.187 11.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.064 -7.283 12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.477 -7.330 13.913 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.609 -5.202 14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.704 -3.806 13.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.184 -5.216 14.889 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.688 -8.939 12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.933 -7.675 11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.498 -7.627 10.881 1.00 0.00 H new ATOM 737 N TYR A 48 -9.769 -2.724 12.153 1.00 0.00 N ATOM 738 CA TYR A 48 -9.867 -1.303 12.438 1.00 0.00 C ATOM 739 C TYR A 48 -11.239 -0.936 12.999 1.00 0.00 C ATOM 740 O TYR A 48 -11.343 -0.041 13.834 1.00 0.00 O ATOM 741 CB TYR A 48 -9.575 -0.566 11.131 1.00 0.00 C ATOM 742 CG TYR A 48 -9.667 0.942 11.169 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.717 1.706 11.865 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.714 1.577 10.489 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.782 3.104 11.838 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.773 2.969 10.435 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.798 3.745 11.096 1.00 0.00 C ATOM 748 OH TYR A 48 -9.846 5.101 11.026 1.00 0.00 O ATOM 0 H TYR A 48 -9.536 -2.931 11.182 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.148 -1.016 13.206 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.572 -0.838 10.804 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.268 -0.931 10.372 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.934 1.214 12.423 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.478 0.987 10.005 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.057 3.691 12.383 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.567 3.454 9.886 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.944 5.472 11.928 1.00 0.00 H new ATOM 1601 N MET C 1 8.260 -2.852 11.929 1.00 0.00 N ATOM 1602 CA MET C 1 7.637 -3.430 10.723 1.00 0.00 C ATOM 1603 C MET C 1 6.406 -4.245 11.084 1.00 0.00 C ATOM 1604 O MET C 1 6.442 -5.023 12.032 1.00 0.00 O ATOM 1605 CB MET C 1 8.615 -4.341 9.982 1.00 0.00 C ATOM 1606 CG MET C 1 8.959 -3.763 8.620 1.00 0.00 C ATOM 1607 SD MET C 1 7.557 -3.641 7.488 1.00 0.00 S ATOM 1608 CE MET C 1 8.229 -4.722 6.211 1.00 0.00 C ATOM 0 H1 MET C 1 9.276 -2.709 11.760 1.00 0.00 H new ATOM 0 H2 MET C 1 7.813 -1.938 12.147 1.00 0.00 H new ATOM 0 H3 MET C 1 8.130 -3.501 12.732 1.00 0.00 H new ATOM 0 HA MET C 1 7.353 -2.596 10.081 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.524 -4.463 10.571 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.177 -5.332 9.862 1.00 0.00 H new ATOM 0 HG2 MET C 1 9.387 -2.770 8.757 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.730 -4.382 8.160 1.00 0.00 H new ATOM 0 HE1 MET C 1 7.952 -4.340 5.228 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.315 -4.753 6.295 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.826 -5.727 6.336 1.00 0.00 H new ATOM 1620 N LEU C 2 5.324 -4.061 10.330 1.00 0.00 N ATOM 1621 CA LEU C 2 4.101 -4.815 10.514 1.00 0.00 C ATOM 1622 C LEU C 2 3.678 -5.339 9.142 1.00 0.00 C ATOM 1623 O LEU C 2 3.351 -4.560 8.250 1.00 0.00 O ATOM 1624 CB LEU C 2 3.079 -3.898 11.203 1.00 0.00 C ATOM 1625 CG LEU C 2 1.776 -4.567 11.655 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.783 -4.670 10.504 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.002 -5.957 12.239 1.00 0.00 C ATOM 0 H LEU C 2 5.278 -3.380 9.572 1.00 0.00 H new ATOM 0 HA LEU C 2 4.211 -5.685 11.161 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.554 -3.447 12.074 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.830 -3.086 10.520 1.00 0.00 H new ATOM 0 HG LEU C 2 1.369 -3.929 12.439 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.132 -5.149 10.854 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.551 -3.672 10.133 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.218 -5.264 9.700 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.046 -6.384 12.543 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.463 -6.597 11.487 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.659 -5.885 13.106 1.00 0.00 H new ATOM 1639 N ILE C 3 3.690 -6.667 8.994 1.00 0.00 N ATOM 1640 CA ILE C 3 3.474 -7.344 7.725 1.00 0.00 C ATOM 1641 C ILE C 3 2.163 -8.119 7.768 1.00 0.00 C ATOM 1642 O ILE C 3 1.842 -8.748 8.775 1.00 0.00 O ATOM 1643 CB ILE C 3 4.637 -8.310 7.453 1.00 0.00 C ATOM 1644 CG1 ILE C 3 5.959 -7.567 7.279 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.393 -9.092 6.166 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.643 -7.344 8.621 1.00 0.00 C ATOM 0 H ILE C 3 3.854 -7.308 9.771 1.00 0.00 H new ATOM 0 HA ILE C 3 3.424 -6.603 6.927 1.00 0.00 H new ATOM 0 HB ILE C 3 4.693 -8.976 8.314 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.616 -8.137 6.622 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.779 -6.607 6.795 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.227 -9.771 5.989 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.471 -9.666 6.258 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.307 -8.398 5.330 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.582 -6.813 8.467 1.00 0.00 H new ATOM 0 HD12 ILE C 3 5.993 -6.753 9.267 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.844 -8.307 9.092 1.00 0.00 H new ATOM 1658 N LEU C 4 1.406 -8.071 6.668 1.00 0.00 N ATOM 1659 CA LEU C 4 0.166 -8.815 6.532 1.00 0.00 C ATOM 1660 C LEU C 4 -0.224 -8.948 5.060 1.00 0.00 C ATOM 1661 O LEU C 4 0.351 -8.279 4.202 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.931 -8.160 7.393 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.947 -6.624 7.406 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.466 -6.040 6.095 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.876 -6.168 8.527 1.00 0.00 C ATOM 0 H LEU C 4 1.643 -7.511 5.849 1.00 0.00 H new ATOM 0 HA LEU C 4 0.302 -9.831 6.903 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.901 -8.511 7.040 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.819 -8.511 8.419 1.00 0.00 H new ATOM 0 HG LEU C 4 0.076 -6.277 7.551 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.458 -4.952 6.153 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.827 -6.364 5.274 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.484 -6.387 5.920 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.904 -5.079 8.556 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.880 -6.552 8.346 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.509 -6.547 9.481 1.00 0.00 H new ATOM 1677 N THR C 5 -1.202 -9.809 4.757 1.00 0.00 N ATOM 1678 CA THR C 5 -1.666 -10.007 3.385 1.00 0.00 C ATOM 1679 C THR C 5 -3.036 -9.386 3.163 1.00 0.00 C ATOM 1680 O THR C 5 -3.809 -9.178 4.102 1.00 0.00 O ATOM 1681 CB THR C 5 -1.779 -11.489 3.011 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.491 -12.196 4.006 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.422 -12.155 2.794 1.00 0.00 C ATOM 0 H THR C 5 -1.687 -10.380 5.449 1.00 0.00 H new ATOM 0 HA THR C 5 -0.916 -9.524 2.759 1.00 0.00 H new ATOM 0 HB THR C 5 -2.318 -11.525 2.064 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.557 -13.140 3.753 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.569 -13.203 2.532 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.106 -11.649 1.986 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.166 -12.089 3.709 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.308 -9.103 1.888 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.568 -8.599 1.370 1.00 0.00 C ATOM 1693 C ARG C 6 -4.744 -9.178 -0.027 1.00 0.00 C ATOM 1694 O ARG C 6 -3.782 -9.683 -0.605 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.518 -7.070 1.263 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.617 -6.340 2.606 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.058 -5.953 2.951 1.00 0.00 C ATOM 1698 NE ARG C 6 -6.946 -7.113 3.068 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.973 -7.194 3.916 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.283 -6.181 4.721 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.703 -8.306 3.957 1.00 0.00 N ATOM 0 H ARG C 6 -2.612 -9.229 1.153 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.388 -8.881 2.030 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.587 -6.782 0.774 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.332 -6.736 0.620 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.215 -6.977 3.394 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.999 -5.443 2.576 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.066 -5.399 3.890 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.443 -5.283 2.183 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.767 -7.912 2.460 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.732 -5.323 4.697 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.072 -6.262 5.362 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.476 -9.088 3.343 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.490 -8.376 4.602 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.959 -9.103 -0.569 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.197 -9.460 -1.959 1.00 0.00 C ATOM 1717 C LYS C 7 -6.689 -8.236 -2.714 1.00 0.00 C ATOM 1718 O LYS C 7 -7.138 -7.263 -2.107 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.218 -10.589 -2.096 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.605 -11.961 -1.832 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.537 -13.046 -2.369 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.774 -14.365 -2.448 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.667 -15.473 -2.841 1.00 0.00 N ATOM 0 H LYS C 7 -6.791 -8.798 -0.063 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.256 -9.815 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.038 -10.420 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.644 -10.571 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.629 -12.034 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.445 -12.100 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.405 -13.152 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.910 -12.768 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -5.961 -14.276 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.320 -14.585 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.123 -16.358 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.428 -15.571 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.080 -15.272 -3.774 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.599 -8.287 -4.042 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.054 -7.186 -4.873 1.00 0.00 C ATOM 1739 C VAL C 8 -8.483 -6.789 -4.504 1.00 0.00 C ATOM 1740 O VAL C 8 -9.371 -7.640 -4.450 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.934 -7.517 -6.356 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.456 -7.619 -6.711 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.618 -8.820 -6.759 1.00 0.00 C ATOM 0 H VAL C 8 -6.216 -9.078 -4.559 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.405 -6.331 -4.683 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.438 -6.716 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.352 -7.856 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.965 -6.669 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.992 -8.406 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.487 -8.984 -7.829 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.174 -9.649 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.682 -8.759 -6.529 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.703 -5.495 -4.250 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.028 -4.984 -3.921 1.00 0.00 C ATOM 1755 C GLY C 9 -10.253 -4.849 -2.413 1.00 0.00 C ATOM 1756 O GLY C 9 -11.379 -4.587 -1.989 1.00 0.00 O ATOM 0 H GLY C 9 -7.973 -4.783 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.165 -4.011 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.783 -5.650 -4.338 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.209 -5.026 -1.595 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.323 -4.911 -0.143 1.00 0.00 C ATOM 1762 C GLU C 10 -8.527 -3.710 0.365 1.00 0.00 C ATOM 1763 O GLU C 10 -7.852 -3.041 -0.416 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.862 -6.205 0.531 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.694 -7.404 0.064 1.00 0.00 C ATOM 1766 CD GLU C 10 -9.318 -8.680 0.819 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -8.123 -8.832 1.155 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -10.233 -9.498 1.057 1.00 0.00 O ATOM 0 H GLU C 10 -8.269 -5.251 -1.921 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.370 -4.750 0.114 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.810 -6.380 0.306 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.943 -6.103 1.613 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -10.753 -7.192 0.212 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.545 -7.556 -1.005 1.00 0.00 H new ATOM 1775 N SER C 11 -8.603 -3.430 1.673 1.00 0.00 N ATOM 1776 CA SER C 11 -8.032 -2.210 2.235 1.00 0.00 C ATOM 1777 C SER C 11 -7.341 -2.435 3.575 1.00 0.00 C ATOM 1778 O SER C 11 -7.455 -3.494 4.191 1.00 0.00 O ATOM 1779 CB SER C 11 -9.135 -1.167 2.416 1.00 0.00 C ATOM 1780 OG SER C 11 -9.732 -0.845 1.179 1.00 0.00 O ATOM 0 H SER C 11 -9.056 -4.036 2.358 1.00 0.00 H new ATOM 0 HA SER C 11 -7.275 -1.864 1.532 1.00 0.00 H new ATOM 0 HB2 SER C 11 -9.892 -1.548 3.101 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.719 -0.267 2.869 1.00 0.00 H new ATOM 0 HG SER C 11 -9.194 -0.165 0.723 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.616 -1.403 4.009 1.00 0.00 N ATOM 1787 CA ILE C 12 -5.842 -1.331 5.243 1.00 0.00 C ATOM 1788 C ILE C 12 -6.018 0.085 5.798 1.00 0.00 C ATOM 1789 O ILE C 12 -6.418 0.988 5.064 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.361 -1.615 4.920 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.135 -3.048 4.422 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.446 -1.352 6.120 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -4.466 -4.112 5.468 1.00 0.00 C ATOM 0 H ILE C 12 -6.552 -0.539 3.470 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.176 -2.064 5.978 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.103 -0.922 4.119 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.746 -3.218 3.536 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.094 -3.159 4.118 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.413 -1.566 5.844 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.532 -0.308 6.421 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -3.740 -1.995 6.950 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -4.284 -5.102 5.050 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.837 -3.967 6.346 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -5.514 -4.026 5.755 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.731 0.302 7.085 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.896 1.608 7.705 1.00 0.00 C ATOM 1807 C ASN C 13 -4.688 1.971 8.561 1.00 0.00 C ATOM 1808 O ASN C 13 -3.977 1.095 9.051 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.170 1.622 8.553 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.416 1.533 7.688 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -8.872 0.442 7.354 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.972 2.676 7.314 1.00 0.00 N ATOM 0 H ASN C 13 -5.381 -0.419 7.716 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.980 2.354 6.914 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.151 0.787 9.253 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.203 2.535 9.147 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.807 2.669 6.729 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.565 3.563 7.611 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.476 3.280 8.728 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.368 3.828 9.496 1.00 0.00 C ATOM 1821 C ILE C 14 -3.865 5.042 10.275 1.00 0.00 C ATOM 1822 O ILE C 14 -4.646 5.846 9.758 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.218 4.221 8.554 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.733 2.996 7.764 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -1.066 4.832 9.359 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.617 3.344 6.780 1.00 0.00 C ATOM 0 H ILE C 14 -5.082 3.995 8.325 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.992 3.080 10.194 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.581 4.965 7.845 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.377 2.236 8.459 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.572 2.562 7.220 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.256 5.107 8.684 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.419 5.720 9.883 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.702 4.104 10.084 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.309 2.445 6.246 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.979 4.084 6.066 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.234 3.752 7.325 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.410 5.170 11.526 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.852 6.241 12.405 1.00 0.00 C ATOM 1840 C GLY C 15 -5.372 6.237 12.501 1.00 0.00 C ATOM 1841 O GLY C 15 -5.985 5.195 12.727 1.00 0.00 O ATOM 0 H GLY C 15 -2.731 4.537 11.948 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -3.416 6.114 13.396 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.505 7.202 12.025 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.972 7.415 12.326 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.420 7.586 12.326 1.00 0.00 C ATOM 1847 C ASP C 16 -7.818 8.577 11.223 1.00 0.00 C ATOM 1848 O ASP C 16 -8.921 9.119 11.226 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.865 8.050 13.714 1.00 0.00 C ATOM 1850 CG ASP C 16 -9.383 8.203 13.831 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -10.099 7.345 13.271 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -9.814 9.178 14.487 1.00 0.00 O ATOM 0 H ASP C 16 -5.459 8.284 12.179 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.922 6.643 12.112 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -7.518 7.334 14.460 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.390 9.004 13.943 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.913 8.812 10.266 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.143 9.743 9.170 1.00 0.00 C ATOM 1859 C ASP C 17 -6.547 9.231 7.859 1.00 0.00 C ATOM 1860 O ASP C 17 -6.545 9.968 6.873 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.546 11.113 9.514 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.160 11.712 10.777 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.233 12.342 10.649 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.552 11.535 11.858 1.00 0.00 O ATOM 0 H ASP C 17 -6.000 8.358 10.235 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.220 9.836 9.033 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.469 11.014 9.648 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.702 11.795 8.678 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.038 7.994 7.817 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.439 7.463 6.602 1.00 0.00 C ATOM 1871 C ILE C 18 -5.973 6.067 6.301 1.00 0.00 C ATOM 1872 O ILE C 18 -6.265 5.286 7.208 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.901 7.445 6.714 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.319 8.834 7.003 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.278 6.925 5.415 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.147 9.058 8.505 1.00 0.00 C ATOM 0 H ILE C 18 -6.032 7.351 8.609 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.713 8.118 5.775 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.661 6.786 7.549 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.356 8.939 6.504 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.976 9.600 6.591 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.192 6.918 5.510 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.632 5.912 5.222 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.566 7.574 4.588 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.733 10.051 8.680 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.116 8.977 8.998 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.470 8.306 8.910 1.00 0.00 H new ATOM 1888 N THR C 19 -6.094 5.765 5.006 1.00 0.00 N ATOM 1889 CA THR C 19 -6.553 4.477 4.508 1.00 0.00 C ATOM 1890 C THR C 19 -5.729 4.116 3.278 1.00 0.00 C ATOM 1891 O THR C 19 -5.233 4.999 2.578 1.00 0.00 O ATOM 1892 CB THR C 19 -8.044 4.564 4.164 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.770 4.991 5.295 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.607 3.216 3.723 1.00 0.00 C ATOM 0 H THR C 19 -5.870 6.427 4.263 1.00 0.00 H new ATOM 0 HA THR C 19 -6.425 3.703 5.265 1.00 0.00 H new ATOM 0 HB THR C 19 -8.143 5.274 3.343 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.722 5.047 5.071 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.666 3.323 3.489 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.073 2.871 2.838 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.485 2.490 4.527 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.588 2.817 3.014 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.796 2.287 1.914 1.00 0.00 C ATOM 1904 C ILE C 20 -5.600 1.171 1.260 1.00 0.00 C ATOM 1905 O ILE C 20 -6.363 0.485 1.938 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.466 1.745 2.459 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.656 2.813 3.202 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.620 1.145 1.332 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.151 3.930 2.287 1.00 0.00 C ATOM 0 H ILE C 20 -6.033 2.091 3.575 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.574 3.063 1.181 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.721 0.965 3.177 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.274 3.247 3.988 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.805 2.340 3.691 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.683 0.768 1.742 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.166 0.327 0.863 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.408 1.913 0.588 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.585 4.653 2.874 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.508 3.506 1.516 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.000 4.428 1.818 1.00 0.00 H new ATOM 1921 N THR C 21 -5.436 0.983 -0.050 1.00 0.00 N ATOM 1922 CA THR C 21 -6.206 -0.008 -0.787 1.00 0.00 C ATOM 1923 C THR C 21 -5.345 -0.637 -1.875 1.00 0.00 C ATOM 1924 O THR C 21 -4.519 0.032 -2.491 1.00 0.00 O ATOM 1925 CB THR C 21 -7.432 0.671 -1.411 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.143 1.385 -0.420 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.391 -0.341 -2.026 1.00 0.00 C ATOM 0 H THR C 21 -4.773 1.508 -0.620 1.00 0.00 H new ATOM 0 HA THR C 21 -6.533 -0.795 -0.107 1.00 0.00 H new ATOM 0 HB THR C 21 -7.063 1.337 -2.191 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.924 1.817 -0.825 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.245 0.182 -2.456 1.00 0.00 H new ATOM 0 HG22 THR C 21 -7.877 -0.901 -2.807 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.738 -1.029 -1.255 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.541 -1.936 -2.108 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.840 -2.673 -3.146 1.00 0.00 C ATOM 1937 C ILE C 22 -5.770 -2.738 -4.357 1.00 0.00 C ATOM 1938 O ILE C 22 -6.608 -3.631 -4.464 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.394 -4.046 -2.611 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.930 -4.990 -3.724 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.493 -4.752 -1.811 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.846 -4.352 -4.583 1.00 0.00 C ATOM 0 H ILE C 22 -6.197 -2.505 -1.574 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.918 -2.181 -3.456 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.554 -3.825 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.551 -5.913 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.780 -5.260 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.124 -5.715 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.774 -4.136 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.364 -4.908 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.541 -5.051 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.234 -3.443 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.986 -4.106 -3.960 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.622 -1.781 -5.279 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.570 -1.615 -6.373 1.00 0.00 C ATOM 1956 C LEU C 23 -6.506 -2.780 -7.355 1.00 0.00 C ATOM 1957 O LEU C 23 -7.504 -3.086 -8.004 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.310 -0.296 -7.103 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.157 0.898 -6.158 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.202 2.185 -6.967 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.275 0.973 -5.118 1.00 0.00 C ATOM 0 H LEU C 23 -4.852 -1.112 -5.285 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.571 -1.597 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.406 -0.393 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.132 -0.102 -7.792 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.206 0.771 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.093 3.039 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.389 2.187 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.156 2.253 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.116 1.838 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.236 1.068 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.271 0.066 -4.513 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.344 -3.432 -7.474 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.227 -4.612 -8.319 1.00 0.00 C ATOM 1975 C GLY C 24 -3.786 -5.078 -8.465 1.00 0.00 C ATOM 1976 O GLY C 24 -2.873 -4.490 -7.883 1.00 0.00 O ATOM 0 H GLY C 24 -4.483 -3.161 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.826 -5.419 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.637 -4.392 -9.305 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.586 -6.135 -9.251 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.282 -6.747 -9.457 1.00 0.00 C ATOM 1982 C VAL C 25 -2.098 -7.078 -10.936 1.00 0.00 C ATOM 1983 O VAL C 25 -3.058 -7.422 -11.625 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.157 -7.991 -8.563 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.202 -9.062 -8.894 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.768 -8.622 -8.673 1.00 0.00 C ATOM 0 H VAL C 25 -4.337 -6.593 -9.767 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.488 -6.055 -9.176 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.326 -7.638 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.068 -9.918 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.202 -8.650 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.081 -9.381 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.715 -9.499 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.584 -8.919 -9.705 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -0.014 -7.898 -8.364 1.00 0.00 H new ATOM 1996 N SER C 26 -0.857 -6.970 -11.415 1.00 0.00 N ATOM 1997 CA SER C 26 -0.487 -7.189 -12.804 1.00 0.00 C ATOM 1998 C SER C 26 0.929 -7.759 -12.843 1.00 0.00 C ATOM 1999 O SER C 26 1.873 -7.072 -13.233 1.00 0.00 O ATOM 2000 CB SER C 26 -0.552 -5.876 -13.588 1.00 0.00 C ATOM 2001 OG SER C 26 -1.874 -5.385 -13.622 1.00 0.00 O ATOM 0 H SER C 26 -0.063 -6.720 -10.825 1.00 0.00 H new ATOM 0 HA SER C 26 -1.183 -7.890 -13.265 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.104 -5.138 -13.127 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.190 -6.034 -14.604 1.00 0.00 H new ATOM 0 HG SER C 26 -1.898 -4.545 -14.125 1.00 0.00 H new ATOM 2007 N GLY C 27 1.076 -9.021 -12.428 1.00 0.00 N ATOM 2008 CA GLY C 27 2.384 -9.640 -12.351 1.00 0.00 C ATOM 2009 C GLY C 27 3.152 -9.029 -11.190 1.00 0.00 C ATOM 2010 O GLY C 27 2.586 -8.814 -10.117 1.00 0.00 O ATOM 0 H GLY C 27 0.304 -9.624 -12.144 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.284 -10.716 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.928 -9.489 -13.284 1.00 0.00 H new ATOM 2014 N GLN C 28 4.438 -8.747 -11.395 1.00 0.00 N ATOM 2015 CA GLN C 28 5.244 -8.107 -10.372 1.00 0.00 C ATOM 2016 C GLN C 28 4.753 -6.684 -10.106 1.00 0.00 C ATOM 2017 O GLN C 28 5.093 -6.130 -9.063 1.00 0.00 O ATOM 2018 CB GLN C 28 6.717 -8.098 -10.795 1.00 0.00 C ATOM 2019 CG GLN C 28 7.394 -9.448 -10.528 1.00 0.00 C ATOM 2020 CD GLN C 28 6.557 -10.636 -10.985 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.440 -10.914 -12.178 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.964 -11.352 -10.031 1.00 0.00 N ATOM 0 H GLN C 28 4.937 -8.953 -12.260 1.00 0.00 H new ATOM 0 HA GLN C 28 5.147 -8.675 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.789 -7.859 -11.856 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.246 -7.313 -10.254 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.357 -9.472 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.596 -9.542 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.082 -11.094 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.392 -12.159 -10.280 1.00 0.00 H new ATOM 2031 N GLN C 29 3.970 -6.084 -11.015 1.00 0.00 N ATOM 2032 CA GLN C 29 3.452 -4.745 -10.812 1.00 0.00 C ATOM 2033 C GLN C 29 2.177 -4.820 -9.978 1.00 0.00 C ATOM 2034 O GLN C 29 1.438 -5.801 -10.050 1.00 0.00 O ATOM 2035 CB GLN C 29 3.154 -4.107 -12.169 1.00 0.00 C ATOM 2036 CG GLN C 29 3.160 -2.578 -12.068 1.00 0.00 C ATOM 2037 CD GLN C 29 4.535 -1.988 -12.363 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.130 -1.331 -11.514 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.046 -2.226 -13.570 1.00 0.00 N ATOM 0 H GLN C 29 3.688 -6.515 -11.895 1.00 0.00 H new ATOM 0 HA GLN C 29 4.189 -4.138 -10.286 1.00 0.00 H new ATOM 0 HB2 GLN C 29 3.897 -4.430 -12.898 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.184 -4.448 -12.530 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.432 -2.166 -12.767 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.845 -2.280 -11.068 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.519 -2.777 -14.247 1.00 0.00 H new ATOM 0 HE22 GLN C 29 5.964 -1.857 -13.817 1.00 0.00 H new ATOM 2048 N VAL C 30 1.915 -3.781 -9.186 1.00 0.00 N ATOM 2049 CA VAL C 30 0.762 -3.723 -8.308 1.00 0.00 C ATOM 2050 C VAL C 30 0.256 -2.285 -8.289 1.00 0.00 C ATOM 2051 O VAL C 30 1.051 -1.365 -8.078 1.00 0.00 O ATOM 2052 CB VAL C 30 1.202 -4.153 -6.900 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.002 -4.207 -5.970 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.839 -5.542 -6.897 1.00 0.00 C ATOM 0 H VAL C 30 2.507 -2.951 -9.140 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.033 -4.385 -8.651 1.00 0.00 H new ATOM 0 HB VAL C 30 1.933 -3.417 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.320 -4.513 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.464 -3.221 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.726 -4.926 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.135 -5.805 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.120 -6.273 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.718 -5.541 -7.542 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.048 -2.075 -8.506 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.618 -0.735 -8.463 1.00 0.00 C ATOM 2066 C ARG C 31 -2.226 -0.526 -7.083 1.00 0.00 C ATOM 2067 O ARG C 31 -2.986 -1.371 -6.606 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.664 -0.542 -9.570 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.920 0.958 -9.766 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.074 1.243 -10.733 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.896 0.556 -12.022 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.598 1.153 -13.183 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.389 2.463 -13.255 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.509 0.426 -14.294 1.00 0.00 N ATOM 0 H ARG C 31 -1.720 -2.815 -8.711 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.839 0.007 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.313 -0.988 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.591 -1.050 -9.303 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.140 1.413 -8.800 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.012 1.431 -10.142 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.013 0.926 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.148 2.317 -10.902 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.009 -0.458 -12.032 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.454 3.037 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.163 2.895 -14.151 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.668 -0.581 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.282 0.876 -15.181 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.886 0.598 -6.450 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.220 0.836 -5.059 1.00 0.00 C ATOM 2090 C ILE C 32 -2.879 2.202 -4.910 1.00 0.00 C ATOM 2091 O ILE C 32 -2.559 3.133 -5.644 1.00 0.00 O ATOM 2092 CB ILE C 32 -0.939 0.746 -4.208 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.036 -0.405 -4.693 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.317 0.575 -2.738 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.187 -0.606 -3.795 1.00 0.00 C ATOM 0 H ILE C 32 -1.374 1.361 -6.892 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.925 0.081 -4.713 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.370 1.669 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.615 -1.328 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.294 -0.200 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.412 0.511 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.910 1.430 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.899 -0.338 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.790 -1.428 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.783 0.306 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.860 -0.840 -2.782 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.806 2.310 -3.955 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.557 3.519 -3.682 1.00 0.00 C ATOM 2109 C GLY C 33 -4.219 4.019 -2.286 1.00 0.00 C ATOM 2110 O GLY C 33 -3.888 3.233 -1.401 1.00 0.00 O ATOM 0 H GLY C 33 -4.055 1.535 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.319 4.283 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.626 3.322 -3.761 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.301 5.335 -2.100 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.022 5.978 -0.827 1.00 0.00 C ATOM 2116 C ILE C 34 -5.085 7.039 -0.600 1.00 0.00 C ATOM 2117 O ILE C 34 -5.537 7.685 -1.550 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.618 6.602 -0.846 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.564 5.535 -1.175 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.308 7.257 0.501 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.158 6.124 -1.301 1.00 0.00 C ATOM 0 H ILE C 34 -4.566 5.987 -2.838 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.046 5.251 -0.015 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.590 7.369 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.567 4.773 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.832 5.039 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.310 7.694 0.472 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.041 8.038 0.703 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.352 6.506 1.290 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.550 5.329 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.145 6.867 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.124 6.597 -0.360 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.483 7.218 0.656 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.542 8.144 0.992 1.00 0.00 C ATOM 2135 C ASN C 35 -6.237 8.812 2.328 1.00 0.00 C ATOM 2136 O ASN C 35 -6.357 8.194 3.386 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.860 7.367 1.015 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.073 8.279 0.916 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.130 9.333 1.539 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.058 7.866 0.122 1.00 0.00 N ATOM 0 H ASN C 35 -5.082 6.728 1.456 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.622 8.941 0.252 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.874 6.657 0.188 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.920 6.786 1.935 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -10.899 8.433 0.015 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.972 6.982 -0.380 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.839 10.082 2.261 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.486 10.871 3.428 1.00 0.00 C ATOM 2149 C ALA C 36 -5.769 12.346 3.153 1.00 0.00 C ATOM 2150 O ALA C 36 -5.842 12.750 1.993 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.995 10.682 3.712 1.00 0.00 C ATOM 0 H ALA C 36 -5.754 10.593 1.382 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.074 10.549 4.287 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.714 11.269 4.587 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.791 9.628 3.901 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.416 11.014 2.851 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.927 13.157 4.206 1.00 0.00 N ATOM 2158 CA PRO C 37 -6.088 14.594 4.074 1.00 0.00 C ATOM 2159 C PRO C 37 -4.810 15.233 3.540 1.00 0.00 C ATOM 2160 O PRO C 37 -3.717 14.705 3.737 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.410 15.089 5.485 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.820 14.026 6.406 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.959 12.742 5.596 1.00 0.00 C ATOM 0 HA PRO C 37 -6.875 14.857 3.367 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.968 16.067 5.673 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.485 15.191 5.634 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.779 14.237 6.649 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.362 13.966 7.350 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.148 12.048 5.817 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.891 12.228 5.831 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.937 16.376 2.858 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.779 17.113 2.364 1.00 0.00 C ATOM 2173 C LYS C 38 -3.000 17.730 3.526 1.00 0.00 C ATOM 2174 O LYS C 38 -1.966 18.357 3.316 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.239 18.175 1.361 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.782 17.503 0.097 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.648 16.935 -0.758 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.271 17.924 -1.860 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.053 17.500 -2.575 1.00 0.00 N ATOM 0 H LYS C 38 -5.834 16.808 2.637 1.00 0.00 H new ATOM 0 HA LYS C 38 -3.103 16.429 1.851 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.010 18.801 1.810 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.406 18.830 1.105 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.468 16.703 0.374 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.353 18.226 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.780 16.728 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.956 15.987 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -4.096 18.014 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -3.114 18.911 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.826 18.194 -3.316 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -1.261 17.438 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.212 16.569 -3.010 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.497 17.547 4.750 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.805 17.925 5.971 1.00 0.00 C ATOM 2195 C ASP C 39 -1.597 17.011 6.210 1.00 0.00 C ATOM 2196 O ASP C 39 -0.800 17.259 7.115 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.776 17.820 7.145 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.867 18.886 7.062 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.606 20.013 7.541 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.951 18.572 6.523 1.00 0.00 O ATOM 0 H ASP C 39 -4.410 17.123 4.918 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.446 18.950 5.877 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.232 16.830 7.155 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.230 17.928 8.082 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.468 15.958 5.397 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.349 15.022 5.436 1.00 0.00 C ATOM 2207 C VAL C 40 0.079 14.734 3.998 1.00 0.00 C ATOM 2208 O VAL C 40 -0.618 15.109 3.056 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.723 13.736 6.186 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.255 14.046 7.585 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.806 12.937 5.463 1.00 0.00 C ATOM 0 H VAL C 40 -2.156 15.731 4.679 1.00 0.00 H new ATOM 0 HA VAL C 40 0.485 15.462 5.983 1.00 0.00 H new ATOM 0 HB VAL C 40 0.195 13.151 6.239 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.511 13.115 8.091 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.490 14.572 8.157 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -2.143 14.673 7.506 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -2.036 12.037 6.033 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.705 13.546 5.368 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.451 12.658 4.471 1.00 0.00 H new ATOM 2221 N ALA C 41 1.220 14.068 3.817 1.00 0.00 N ATOM 2222 CA ALA C 41 1.784 13.870 2.494 1.00 0.00 C ATOM 2223 C ALA C 41 1.878 12.390 2.133 1.00 0.00 C ATOM 2224 O ALA C 41 1.907 11.531 3.013 1.00 0.00 O ATOM 2225 CB ALA C 41 3.160 14.525 2.456 1.00 0.00 C ATOM 0 H ALA C 41 1.767 13.659 4.574 1.00 0.00 H new ATOM 0 HA ALA C 41 1.129 14.329 1.754 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.601 14.387 1.469 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.062 15.590 2.664 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.802 14.066 3.208 1.00 0.00 H new ATOM 2231 N VAL C 42 1.932 12.095 0.829 1.00 0.00 N ATOM 2232 CA VAL C 42 2.058 10.734 0.309 1.00 0.00 C ATOM 2233 C VAL C 42 2.839 10.791 -1.002 1.00 0.00 C ATOM 2234 O VAL C 42 2.519 11.605 -1.867 1.00 0.00 O ATOM 2235 CB VAL C 42 0.667 10.102 0.083 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.248 10.253 1.297 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.084 10.711 -1.103 1.00 0.00 C ATOM 0 H VAL C 42 1.889 12.806 0.098 1.00 0.00 H new ATOM 0 HA VAL C 42 2.587 10.112 1.031 1.00 0.00 H new ATOM 0 HB VAL C 42 0.886 9.052 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.213 9.792 1.085 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.207 9.764 2.158 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.392 11.311 1.515 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.053 10.224 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.230 11.778 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.496 10.566 -2.014 1.00 0.00 H new ATOM 2247 N HIS C 43 3.860 9.941 -1.171 1.00 0.00 N ATOM 2248 CA HIS C 43 4.596 9.903 -2.434 1.00 0.00 C ATOM 2249 C HIS C 43 5.325 8.584 -2.650 1.00 0.00 C ATOM 2250 O HIS C 43 5.476 7.776 -1.736 1.00 0.00 O ATOM 2251 CB HIS C 43 5.666 11.009 -2.507 1.00 0.00 C ATOM 2252 CG HIS C 43 5.281 12.357 -1.958 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.688 13.381 -2.697 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.463 12.777 -0.671 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.521 14.392 -1.833 1.00 0.00 C ATOM 2256 NE2 HIS C 43 4.973 14.059 -0.614 1.00 0.00 N ATOM 0 H HIS C 43 4.188 9.284 -0.463 1.00 0.00 H new ATOM 0 HA HIS C 43 3.834 10.042 -3.201 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.550 10.663 -1.972 1.00 0.00 H new ATOM 0 HB3 HIS C 43 5.954 11.136 -3.551 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.435 13.364 -3.685 1.00 0.00 H new ATOM 0 HD2 HIS C 43 5.904 12.214 0.139 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.082 15.346 -2.084 1.00 0.00 H new ATOM 2264 N ARG C 44 5.776 8.395 -3.895 1.00 0.00 N ATOM 2265 CA ARG C 44 6.686 7.332 -4.291 1.00 0.00 C ATOM 2266 C ARG C 44 8.012 7.549 -3.560 1.00 0.00 C ATOM 2267 O ARG C 44 8.407 8.691 -3.312 1.00 0.00 O ATOM 2268 CB ARG C 44 6.811 7.410 -5.818 1.00 0.00 C ATOM 2269 CG ARG C 44 8.005 6.658 -6.401 1.00 0.00 C ATOM 2270 CD ARG C 44 7.990 6.869 -7.915 1.00 0.00 C ATOM 2271 NE ARG C 44 9.193 6.331 -8.558 1.00 0.00 N ATOM 2272 CZ ARG C 44 9.580 6.680 -9.788 1.00 0.00 C ATOM 2273 NH1 ARG C 44 8.861 7.538 -10.503 1.00 0.00 N ATOM 2274 NH2 ARG C 44 10.691 6.171 -10.312 1.00 0.00 N ATOM 0 H ARG C 44 5.506 8.998 -4.672 1.00 0.00 H new ATOM 0 HA ARG C 44 6.337 6.334 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG C 44 5.898 7.016 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG C 44 6.882 8.458 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG C 44 8.937 7.027 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.943 5.596 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.108 6.390 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG C 44 7.909 7.934 -8.132 1.00 0.00 H new ATOM 0 HE ARG C 44 9.761 5.659 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG C 44 8.006 7.936 -10.114 1.00 0.00 H new ATOM 0 HH12 ARG C 44 9.164 7.799 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG C 44 11.252 5.511 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG C 44 10.982 6.441 -11.252 1.00 0.00 H new ATOM 2288 N GLU C 45 8.701 6.458 -3.215 1.00 0.00 N ATOM 2289 CA GLU C 45 9.925 6.506 -2.423 1.00 0.00 C ATOM 2290 C GLU C 45 11.012 7.368 -3.073 1.00 0.00 C ATOM 2291 O GLU C 45 11.898 7.870 -2.380 1.00 0.00 O ATOM 2292 CB GLU C 45 10.375 5.064 -2.170 1.00 0.00 C ATOM 2293 CG GLU C 45 11.553 4.956 -1.198 1.00 0.00 C ATOM 2294 CD GLU C 45 12.923 5.090 -1.866 1.00 0.00 C ATOM 2295 OE1 GLU C 45 12.983 5.078 -3.118 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.910 5.206 -1.107 1.00 0.00 O ATOM 0 H GLU C 45 8.421 5.514 -3.480 1.00 0.00 H new ATOM 0 HA GLU C 45 9.730 6.996 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.535 4.493 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.654 4.606 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.454 5.729 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.502 3.995 -0.686 1.00 0.00 H new ATOM 2303 N GLU C 46 10.957 7.550 -4.396 1.00 0.00 N ATOM 2304 CA GLU C 46 11.915 8.381 -5.108 1.00 0.00 C ATOM 2305 C GLU C 46 11.652 9.861 -4.822 1.00 0.00 C ATOM 2306 O GLU C 46 12.579 10.620 -4.558 1.00 0.00 O ATOM 2307 CB GLU C 46 11.771 8.105 -6.608 1.00 0.00 C ATOM 2308 CG GLU C 46 12.901 8.733 -7.426 1.00 0.00 C ATOM 2309 CD GLU C 46 14.240 8.056 -7.137 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.364 6.856 -7.473 1.00 0.00 O ATOM 2311 OE2 GLU C 46 15.125 8.741 -6.581 1.00 0.00 O ATOM 0 H GLU C 46 10.249 7.125 -4.995 1.00 0.00 H new ATOM 0 HA GLU C 46 12.926 8.145 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.758 7.028 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU C 46 10.814 8.494 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.672 8.651 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.972 9.796 -7.196 1.00 0.00 H new ATOM 2318 N ILE C 47 10.380 10.269 -4.873 1.00 0.00 N ATOM 2319 CA ILE C 47 9.990 11.664 -4.714 1.00 0.00 C ATOM 2320 C ILE C 47 10.152 12.099 -3.262 1.00 0.00 C ATOM 2321 O ILE C 47 10.426 13.263 -2.980 1.00 0.00 O ATOM 2322 CB ILE C 47 8.522 11.828 -5.124 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.179 11.071 -6.415 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.181 13.313 -5.270 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.087 11.439 -7.585 1.00 0.00 C ATOM 0 H ILE C 47 9.595 9.637 -5.026 1.00 0.00 H new ATOM 0 HA ILE C 47 10.629 12.282 -5.344 1.00 0.00 H new ATOM 0 HB ILE C 47 7.916 11.389 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.251 9.999 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.144 11.279 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.136 13.419 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.346 13.819 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.818 13.759 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.793 10.870 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.997 12.505 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.121 11.205 -7.331 1.00 0.00 H new ATOM 2337 N TYR C 48 9.979 11.149 -2.342 1.00 0.00 N ATOM 2338 CA TYR C 48 10.023 11.383 -0.913 1.00 0.00 C ATOM 2339 C TYR C 48 11.370 11.951 -0.475 1.00 0.00 C ATOM 2340 O TYR C 48 11.428 12.775 0.433 1.00 0.00 O ATOM 2341 CB TYR C 48 9.752 10.034 -0.251 1.00 0.00 C ATOM 2342 CG TYR C 48 9.719 10.027 1.256 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.664 10.643 1.945 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.747 9.393 1.968 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.601 10.573 3.342 1.00 0.00 C ATOM 2346 CE2 TYR C 48 10.690 9.309 3.365 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.605 9.888 4.059 1.00 0.00 C ATOM 2348 OH TYR C 48 9.527 9.796 5.418 1.00 0.00 O ATOM 0 H TYR C 48 9.801 10.174 -2.584 1.00 0.00 H new ATOM 0 HA TYR C 48 9.279 12.124 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.796 9.659 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.517 9.331 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.899 11.172 1.397 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.586 8.968 1.437 1.00 0.00 H new ATOM 0 HE1 TYR C 48 7.785 11.043 3.870 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.473 8.803 3.910 1.00 0.00 H new ATOM 0 HH TYR C 48 10.296 9.292 5.756 1.00 0.00 H new