USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.971 K(o=0.97,f=-2.8!) USER MOD Single : A 11 GLN : amide:sc= 0.772 K(o=0.77,f=-3.8!) USER MOD Single : A 12 MET CE :methyl 166:sc= -0.263 (180deg=-0.695) USER MOD Single : A 13 GLN : amide:sc= -0.0445 X(o=-0.044,f=-0.044) USER MOD Single : A 17 MET CE :methyl -137:sc= -0.0627 (180deg=-0.331) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -140:sc= -0.493 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00882 USER MOD Single : A 25 SER OG : rot 180:sc= 0.012 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.16) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 61 THR OG1 : rot -140:sc= -0.029 USER MOD Single : A 63 GLN : amide:sc= 0.77 K(o=0.77,f=-0.58) USER MOD Single : A 71 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -8.146 -3.828 -16.328 1.00 0.00 N ATOM 2 CA PRO A 6 -8.010 -5.024 -15.489 1.00 0.00 C ATOM 3 C PRO A 6 -6.885 -4.883 -14.456 1.00 0.00 C ATOM 4 O PRO A 6 -6.193 -3.865 -14.425 1.00 0.00 O ATOM 5 CB PRO A 6 -7.839 -6.182 -16.474 1.00 0.00 C ATOM 6 CG PRO A 6 -8.715 -5.760 -17.665 1.00 0.00 C ATOM 7 CD PRO A 6 -9.042 -4.286 -17.403 1.00 0.00 C ATOM 0 HA PRO A 6 -8.883 -5.198 -14.860 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.797 -6.312 -16.766 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.170 -7.128 -16.045 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.187 -5.887 -18.610 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.621 -6.363 -17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.895 -3.693 -18.306 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.086 -4.169 -17.111 1.00 0.00 H new ATOM 13 N LEU A 7 -6.711 -5.889 -13.595 1.00 0.00 N ATOM 14 CA LEU A 7 -5.707 -5.878 -12.526 1.00 0.00 C ATOM 15 C LEU A 7 -4.247 -5.824 -13.029 1.00 0.00 C ATOM 16 O LEU A 7 -3.859 -6.567 -13.937 1.00 0.00 O ATOM 17 CB LEU A 7 -5.969 -7.038 -11.541 1.00 0.00 C ATOM 18 CG LEU A 7 -5.589 -8.465 -12.008 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.729 -9.449 -10.837 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.463 -8.963 -13.168 1.00 0.00 C ATOM 0 H LEU A 7 -7.268 -6.743 -13.620 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.825 -4.939 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.425 -6.828 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.030 -7.036 -11.292 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.558 -8.415 -12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.461 -10.452 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.066 -9.146 -10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.760 -9.448 -10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.151 -9.968 -13.453 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.507 -8.982 -12.855 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.352 -8.293 -14.021 1.00 0.00 H new ATOM 31 N LYS A 8 -3.426 -4.986 -12.388 1.00 0.00 N ATOM 32 CA LYS A 8 -1.994 -4.779 -12.685 1.00 0.00 C ATOM 33 C LYS A 8 -1.185 -4.351 -11.438 1.00 0.00 C ATOM 34 O LYS A 8 -1.715 -3.632 -10.583 1.00 0.00 O ATOM 35 CB LYS A 8 -1.823 -3.767 -13.842 1.00 0.00 C ATOM 36 CG LYS A 8 -2.747 -2.535 -13.776 1.00 0.00 C ATOM 37 CD LYS A 8 -2.212 -1.343 -14.584 1.00 0.00 C ATOM 38 CE LYS A 8 -1.144 -0.601 -13.769 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.642 0.620 -14.440 1.00 0.00 N ATOM 0 H LYS A 8 -3.749 -4.406 -11.614 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.586 -5.740 -13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.788 -3.425 -13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.000 -4.284 -14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.734 -2.807 -14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.871 -2.236 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.787 -1.691 -15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.028 -0.665 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.560 -0.330 -12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.308 -1.274 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.075 1.075 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.218 0.364 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.431 1.279 -14.597 1.00 0.00 H new ATOM 49 N THR A 9 0.079 -4.795 -11.325 1.00 0.00 N ATOM 50 CA THR A 9 0.955 -4.602 -10.140 1.00 0.00 C ATOM 51 C THR A 9 1.695 -3.262 -10.141 1.00 0.00 C ATOM 52 O THR A 9 1.928 -2.685 -11.205 1.00 0.00 O ATOM 53 CB THR A 9 1.910 -5.793 -9.967 1.00 0.00 C ATOM 54 OG1 THR A 9 2.568 -5.678 -8.726 1.00 0.00 O ATOM 55 CG2 THR A 9 2.974 -5.897 -11.056 1.00 0.00 C ATOM 0 H THR A 9 0.539 -5.314 -12.073 1.00 0.00 H new ATOM 0 HA THR A 9 0.300 -4.564 -9.269 1.00 0.00 H new ATOM 0 HB THR A 9 1.293 -6.690 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.178 -6.436 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.608 -6.762 -10.863 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.491 -6.010 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.583 -4.993 -11.057 1.00 0.00 H new ATOM 63 N GLN A 10 2.093 -2.779 -8.959 1.00 0.00 N ATOM 64 CA GLN A 10 2.761 -1.496 -8.729 1.00 0.00 C ATOM 65 C GLN A 10 3.501 -1.513 -7.375 1.00 0.00 C ATOM 66 O GLN A 10 2.971 -2.050 -6.398 1.00 0.00 O ATOM 67 CB GLN A 10 1.688 -0.384 -8.759 1.00 0.00 C ATOM 68 CG GLN A 10 2.219 1.062 -8.748 1.00 0.00 C ATOM 69 CD GLN A 10 2.873 1.500 -10.058 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.324 0.707 -10.875 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.930 2.780 -10.336 1.00 0.00 N ATOM 0 H GLN A 10 1.950 -3.300 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 10 3.504 -1.311 -9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.077 -0.519 -9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.031 -0.516 -7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.394 1.738 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.944 1.164 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.562 3.463 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.342 3.093 -11.215 1.00 0.00 H new ATOM 78 N GLN A 11 4.694 -0.898 -7.311 1.00 0.00 N ATOM 79 CA GLN A 11 5.456 -0.654 -6.074 1.00 0.00 C ATOM 80 C GLN A 11 5.266 0.779 -5.542 1.00 0.00 C ATOM 81 O GLN A 11 5.019 1.709 -6.314 1.00 0.00 O ATOM 82 CB GLN A 11 6.967 -0.864 -6.309 1.00 0.00 C ATOM 83 CG GLN A 11 7.411 -2.329 -6.410 1.00 0.00 C ATOM 84 CD GLN A 11 8.937 -2.444 -6.337 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.524 -2.812 -5.326 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.668 -2.063 -7.360 1.00 0.00 N ATOM 0 H GLN A 11 5.169 -0.547 -8.143 1.00 0.00 H new ATOM 0 HA GLN A 11 5.073 -1.365 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.251 -0.350 -7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.515 -0.389 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.960 -2.906 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.054 -2.758 -7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.218 -1.750 -8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.686 -2.081 -7.294 1.00 0.00 H new ATOM 93 N MET A 12 5.481 0.978 -4.234 1.00 0.00 N ATOM 94 CA MET A 12 5.493 2.288 -3.561 1.00 0.00 C ATOM 95 C MET A 12 6.212 2.270 -2.204 1.00 0.00 C ATOM 96 O MET A 12 6.369 1.225 -1.570 1.00 0.00 O ATOM 97 CB MET A 12 4.071 2.867 -3.447 1.00 0.00 C ATOM 98 CG MET A 12 3.057 1.954 -2.745 1.00 0.00 C ATOM 99 SD MET A 12 1.417 1.979 -3.526 1.00 0.00 S ATOM 100 CE MET A 12 1.803 1.146 -5.090 1.00 0.00 C ATOM 0 H MET A 12 5.658 0.206 -3.592 1.00 0.00 H new ATOM 0 HA MET A 12 6.080 2.953 -4.195 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.121 3.813 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.704 3.091 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.437 0.932 -2.744 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.962 2.260 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.877 0.853 -5.585 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.361 1.825 -5.736 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.404 0.259 -4.891 1.00 0.00 H new ATOM 108 N GLN A 13 6.648 3.449 -1.763 1.00 0.00 N ATOM 109 CA GLN A 13 7.317 3.684 -0.486 1.00 0.00 C ATOM 110 C GLN A 13 6.286 4.067 0.592 1.00 0.00 C ATOM 111 O GLN A 13 5.165 4.462 0.273 1.00 0.00 O ATOM 112 CB GLN A 13 8.375 4.791 -0.665 1.00 0.00 C ATOM 113 CG GLN A 13 9.415 4.518 -1.770 1.00 0.00 C ATOM 114 CD GLN A 13 10.104 3.162 -1.636 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.863 2.241 -2.403 1.00 0.00 O ATOM 116 NE2 GLN A 13 10.960 2.972 -0.659 1.00 0.00 N ATOM 0 H GLN A 13 6.540 4.303 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 13 7.816 2.772 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.866 5.728 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.898 4.930 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.924 4.573 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.170 5.304 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.171 3.731 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.414 2.065 -0.548 1.00 0.00 H new ATOM 123 N VAL A 14 6.644 3.957 1.875 1.00 0.00 N ATOM 124 CA VAL A 14 5.679 3.968 2.986 1.00 0.00 C ATOM 125 C VAL A 14 6.374 4.244 4.324 1.00 0.00 C ATOM 126 O VAL A 14 7.223 3.473 4.768 1.00 0.00 O ATOM 127 CB VAL A 14 4.832 2.664 3.014 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.646 1.371 2.812 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.002 2.559 4.305 1.00 0.00 C ATOM 0 H VAL A 14 7.613 3.857 2.176 1.00 0.00 H new ATOM 0 HA VAL A 14 4.983 4.790 2.818 1.00 0.00 H new ATOM 0 HB VAL A 14 4.168 2.750 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.977 0.511 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.147 1.404 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.391 1.283 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.422 1.636 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.669 2.556 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.326 3.411 4.373 1.00 0.00 H new ATOM 139 N GLY A 15 5.975 5.338 4.986 1.00 0.00 N ATOM 140 CA GLY A 15 6.648 5.849 6.189 1.00 0.00 C ATOM 141 C GLY A 15 6.429 5.041 7.470 1.00 0.00 C ATOM 142 O GLY A 15 7.131 5.278 8.450 1.00 0.00 O ATOM 0 H GLY A 15 5.171 5.897 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.719 5.896 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.311 6.871 6.364 1.00 0.00 H new ATOM 146 N GLY A 16 5.483 4.094 7.479 1.00 0.00 N ATOM 147 CA GLY A 16 5.169 3.266 8.654 1.00 0.00 C ATOM 148 C GLY A 16 6.085 2.054 8.822 1.00 0.00 C ATOM 149 O GLY A 16 6.300 1.597 9.948 1.00 0.00 O ATOM 0 H GLY A 16 4.908 3.878 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.233 3.884 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.138 2.922 8.578 1.00 0.00 H new ATOM 153 N MET A 17 6.650 1.538 7.725 1.00 0.00 N ATOM 154 CA MET A 17 7.577 0.401 7.774 1.00 0.00 C ATOM 155 C MET A 17 8.836 0.782 8.568 1.00 0.00 C ATOM 156 O MET A 17 9.314 1.914 8.486 1.00 0.00 O ATOM 157 CB MET A 17 7.887 -0.118 6.360 1.00 0.00 C ATOM 158 CG MET A 17 6.806 -1.086 5.839 1.00 0.00 C ATOM 159 SD MET A 17 5.106 -0.466 5.754 1.00 0.00 S ATOM 160 CE MET A 17 4.403 -1.755 4.699 1.00 0.00 C ATOM 0 H MET A 17 6.480 1.893 6.784 1.00 0.00 H new ATOM 0 HA MET A 17 7.106 -0.428 8.302 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.974 0.727 5.677 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.852 -0.624 6.365 1.00 0.00 H new ATOM 0 HG2 MET A 17 7.097 -1.410 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.811 -1.971 6.475 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.758 -1.299 3.948 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.207 -2.299 4.204 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.820 -2.446 5.308 1.00 0.00 H new ATOM 168 N ARG A 18 9.304 -0.142 9.419 1.00 0.00 N ATOM 169 CA ARG A 18 10.428 0.018 10.364 1.00 0.00 C ATOM 170 C ARG A 18 10.177 0.994 11.533 1.00 0.00 C ATOM 171 O ARG A 18 11.038 1.150 12.408 1.00 0.00 O ATOM 172 CB ARG A 18 11.757 0.297 9.624 1.00 0.00 C ATOM 173 CG ARG A 18 12.056 -0.754 8.535 1.00 0.00 C ATOM 174 CD ARG A 18 13.485 -0.665 7.985 1.00 0.00 C ATOM 175 NE ARG A 18 13.709 0.564 7.211 1.00 0.00 N ATOM 176 CZ ARG A 18 14.881 1.106 6.897 1.00 0.00 C ATOM 177 NH1 ARG A 18 16.026 0.550 7.226 1.00 0.00 N ATOM 178 NH2 ARG A 18 14.921 2.242 6.240 1.00 0.00 N ATOM 0 H ARG A 18 8.889 -1.072 9.473 1.00 0.00 H new ATOM 0 HA ARG A 18 10.516 -0.949 10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.715 1.286 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.575 0.312 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.893 -1.750 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.349 -0.629 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.194 -0.705 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.683 -1.531 7.353 1.00 0.00 H new ATOM 0 HE ARG A 18 12.877 1.053 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.036 -0.330 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.904 0.999 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.054 2.707 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.819 2.660 5.998 1.00 0.00 H new ATOM 189 N CYS A 19 8.987 1.598 11.599 1.00 0.00 N ATOM 190 CA CYS A 19 8.563 2.550 12.635 1.00 0.00 C ATOM 191 C CYS A 19 7.399 2.028 13.502 1.00 0.00 C ATOM 192 O CYS A 19 7.260 2.411 14.666 1.00 0.00 O ATOM 193 CB CYS A 19 8.197 3.837 11.891 1.00 0.00 C ATOM 194 SG CYS A 19 9.683 4.482 11.067 1.00 0.00 S ATOM 0 H CYS A 19 8.260 1.431 10.903 1.00 0.00 H new ATOM 0 HA CYS A 19 9.367 2.716 13.352 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.415 3.639 11.158 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.801 4.576 12.588 1.00 0.00 H new ATOM 0 HG CYS A 19 9.386 5.575 10.429 1.00 0.00 H new ATOM 199 N ALA A 20 6.599 1.107 12.966 1.00 0.00 N ATOM 200 CA ALA A 20 5.495 0.416 13.635 1.00 0.00 C ATOM 201 C ALA A 20 5.319 -0.992 13.032 1.00 0.00 C ATOM 202 O ALA A 20 6.031 -1.349 12.091 1.00 0.00 O ATOM 203 CB ALA A 20 4.251 1.300 13.463 1.00 0.00 C ATOM 0 H ALA A 20 6.710 0.805 11.998 1.00 0.00 H new ATOM 0 HA ALA A 20 5.683 0.267 14.698 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.398 0.825 13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.431 2.274 13.918 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.040 1.429 12.401 1.00 0.00 H new ATOM 209 N ALA A 21 4.330 -1.770 13.487 1.00 0.00 N ATOM 210 CA ALA A 21 3.962 -3.088 12.937 1.00 0.00 C ATOM 211 C ALA A 21 3.321 -3.035 11.525 1.00 0.00 C ATOM 212 O ALA A 21 2.659 -3.975 11.086 1.00 0.00 O ATOM 213 CB ALA A 21 3.051 -3.781 13.959 1.00 0.00 C ATOM 0 H ALA A 21 3.742 -1.494 14.274 1.00 0.00 H new ATOM 0 HA ALA A 21 4.875 -3.662 12.782 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.760 -4.761 13.581 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.586 -3.899 14.902 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.159 -3.175 14.121 1.00 0.00 H new ATOM 219 N CYS A 22 3.495 -1.926 10.802 1.00 0.00 N ATOM 220 CA CYS A 22 2.851 -1.616 9.531 1.00 0.00 C ATOM 221 C CYS A 22 2.991 -2.684 8.441 1.00 0.00 C ATOM 222 O CYS A 22 2.040 -2.850 7.685 1.00 0.00 O ATOM 223 CB CYS A 22 3.376 -0.248 9.078 1.00 0.00 C ATOM 224 SG CYS A 22 2.577 1.054 10.058 1.00 0.00 S ATOM 0 H CYS A 22 4.123 -1.183 11.107 1.00 0.00 H new ATOM 0 HA CYS A 22 1.774 -1.594 9.697 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.458 -0.201 9.203 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.171 -0.099 8.018 1.00 0.00 H new ATOM 0 HG CYS A 22 2.294 2.064 9.290 1.00 0.00 H new ATOM 229 N ALA A 23 4.075 -3.457 8.387 1.00 0.00 N ATOM 230 CA ALA A 23 4.184 -4.664 7.563 1.00 0.00 C ATOM 231 C ALA A 23 2.942 -5.571 7.660 1.00 0.00 C ATOM 232 O ALA A 23 2.447 -6.046 6.641 1.00 0.00 O ATOM 233 CB ALA A 23 5.460 -5.397 7.999 1.00 0.00 C ATOM 0 H ALA A 23 4.919 -3.259 8.924 1.00 0.00 H new ATOM 0 HA ALA A 23 4.241 -4.383 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.578 -6.305 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.323 -4.749 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.387 -5.659 9.055 1.00 0.00 H new ATOM 239 N SER A 24 2.374 -5.752 8.851 1.00 0.00 N ATOM 240 CA SER A 24 1.132 -6.512 9.035 1.00 0.00 C ATOM 241 C SER A 24 -0.111 -5.610 9.033 1.00 0.00 C ATOM 242 O SER A 24 -1.118 -5.986 8.444 1.00 0.00 O ATOM 243 CB SER A 24 1.192 -7.384 10.302 1.00 0.00 C ATOM 244 OG SER A 24 2.082 -6.913 11.305 1.00 0.00 O ATOM 0 H SER A 24 2.759 -5.377 9.718 1.00 0.00 H new ATOM 0 HA SER A 24 1.038 -7.176 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.191 -7.453 10.727 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.488 -8.394 10.018 1.00 0.00 H new ATOM 0 HG SER A 24 2.059 -7.520 12.074 1.00 0.00 H new ATOM 249 N SER A 25 -0.062 -4.404 9.604 1.00 0.00 N ATOM 250 CA SER A 25 -1.219 -3.488 9.655 1.00 0.00 C ATOM 251 C SER A 25 -1.662 -2.996 8.262 1.00 0.00 C ATOM 252 O SER A 25 -2.845 -2.722 8.031 1.00 0.00 O ATOM 253 CB SER A 25 -0.948 -2.264 10.552 1.00 0.00 C ATOM 254 OG SER A 25 0.041 -2.447 11.554 1.00 0.00 O ATOM 0 H SER A 25 0.778 -4.029 10.046 1.00 0.00 H new ATOM 0 HA SER A 25 -2.028 -4.081 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.647 -1.430 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.881 -1.976 11.036 1.00 0.00 H new ATOM 0 HG SER A 25 0.143 -1.619 12.068 1.00 0.00 H new ATOM 259 N ILE A 26 -0.734 -2.915 7.303 1.00 0.00 N ATOM 260 CA ILE A 26 -1.044 -2.791 5.876 1.00 0.00 C ATOM 261 C ILE A 26 -1.601 -4.124 5.374 1.00 0.00 C ATOM 262 O ILE A 26 -2.745 -4.179 4.922 1.00 0.00 O ATOM 263 CB ILE A 26 0.197 -2.284 5.076 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.286 -0.738 5.103 1.00 0.00 C ATOM 265 CG2 ILE A 26 0.216 -2.721 3.605 1.00 0.00 C ATOM 266 CD1 ILE A 26 1.001 -0.190 6.337 1.00 0.00 C ATOM 0 H ILE A 26 0.267 -2.934 7.499 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.813 -2.035 5.717 1.00 0.00 H new ATOM 0 HB ILE A 26 1.049 -2.741 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.808 -0.396 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.721 -0.323 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.110 -2.328 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.222 -3.810 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.670 -2.336 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.026 0.899 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.467 -0.501 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.020 -0.576 6.368 1.00 0.00 H new ATOM 277 N GLU A 27 -0.807 -5.194 5.428 1.00 0.00 N ATOM 278 CA GLU A 27 -1.031 -6.345 4.552 1.00 0.00 C ATOM 279 C GLU A 27 -2.184 -7.251 5.020 1.00 0.00 C ATOM 280 O GLU A 27 -2.760 -7.966 4.197 1.00 0.00 O ATOM 281 CB GLU A 27 0.272 -7.140 4.399 1.00 0.00 C ATOM 282 CG GLU A 27 0.373 -7.804 3.019 1.00 0.00 C ATOM 283 CD GLU A 27 1.415 -8.911 3.041 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.106 -9.969 3.640 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.516 -8.742 2.471 1.00 0.00 O ATOM 0 H GLU A 27 -0.012 -5.288 6.061 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.338 -5.957 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.123 -6.475 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.326 -7.904 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.596 -8.213 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.639 -7.060 2.268 1.00 0.00 H new ATOM 290 N ARG A 28 -2.553 -7.207 6.310 1.00 0.00 N ATOM 291 CA ARG A 28 -3.715 -7.934 6.851 1.00 0.00 C ATOM 292 C ARG A 28 -5.059 -7.250 6.518 1.00 0.00 C ATOM 293 O ARG A 28 -6.121 -7.839 6.718 1.00 0.00 O ATOM 294 CB ARG A 28 -3.501 -8.158 8.359 1.00 0.00 C ATOM 295 CG ARG A 28 -4.459 -9.193 8.975 1.00 0.00 C ATOM 296 CD ARG A 28 -4.026 -9.519 10.408 1.00 0.00 C ATOM 297 NE ARG A 28 -4.996 -10.381 11.108 1.00 0.00 N ATOM 298 CZ ARG A 28 -4.805 -11.629 11.523 1.00 0.00 C ATOM 299 NH1 ARG A 28 -3.777 -12.360 11.157 1.00 0.00 N ATOM 300 NH2 ARG A 28 -5.663 -12.171 12.355 1.00 0.00 N ATOM 0 H ARG A 28 -2.051 -6.663 7.012 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.785 -8.906 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.474 -8.482 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.624 -7.208 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.477 -8.804 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.463 -10.101 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.055 -10.013 10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.900 -8.591 10.966 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.913 -9.975 11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.077 -11.974 10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.679 -13.313 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.469 -11.635 12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.524 -13.128 12.679 1.00 0.00 H new ATOM 311 N ALA A 29 -5.043 -6.039 5.946 1.00 0.00 N ATOM 312 CA ALA A 29 -6.214 -5.408 5.323 1.00 0.00 C ATOM 313 C ALA A 29 -6.098 -5.311 3.797 1.00 0.00 C ATOM 314 O ALA A 29 -7.106 -5.439 3.105 1.00 0.00 O ATOM 315 CB ALA A 29 -6.397 -4.010 5.915 1.00 0.00 C ATOM 0 H ALA A 29 -4.203 -5.461 5.902 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.079 -6.037 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.264 -3.532 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.550 -4.088 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.508 -3.412 5.717 1.00 0.00 H new ATOM 321 N LEU A 30 -4.893 -5.087 3.258 1.00 0.00 N ATOM 322 CA LEU A 30 -4.688 -4.733 1.851 1.00 0.00 C ATOM 323 C LEU A 30 -5.235 -5.779 0.872 1.00 0.00 C ATOM 324 O LEU A 30 -5.846 -5.393 -0.117 1.00 0.00 O ATOM 325 CB LEU A 30 -3.195 -4.428 1.636 1.00 0.00 C ATOM 326 CG LEU A 30 -2.830 -3.897 0.234 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.654 -2.671 -0.174 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.344 -3.524 0.219 1.00 0.00 C ATOM 0 H LEU A 30 -4.026 -5.147 3.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.271 -3.840 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.879 -3.695 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.624 -5.337 1.823 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.051 -4.688 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.352 -2.344 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.713 -2.931 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.485 -1.865 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.073 -3.147 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.155 -2.754 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.745 -4.406 0.447 1.00 0.00 H new ATOM 339 N GLU A 31 -5.118 -7.080 1.166 1.00 0.00 N ATOM 340 CA GLU A 31 -5.664 -8.132 0.298 1.00 0.00 C ATOM 341 C GLU A 31 -7.204 -8.220 0.324 1.00 0.00 C ATOM 342 O GLU A 31 -7.802 -8.936 -0.487 1.00 0.00 O ATOM 343 CB GLU A 31 -5.017 -9.492 0.615 1.00 0.00 C ATOM 344 CG GLU A 31 -5.380 -10.131 1.973 1.00 0.00 C ATOM 345 CD GLU A 31 -4.891 -11.583 2.109 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.510 -12.216 1.096 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.938 -12.140 3.232 1.00 0.00 O ATOM 0 H GLU A 31 -4.649 -7.431 2.001 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.405 -7.850 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.291 -10.192 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.934 -9.372 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.949 -9.533 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.462 -10.105 2.102 1.00 0.00 H new ATOM 352 N ARG A 32 -7.844 -7.512 1.264 1.00 0.00 N ATOM 353 CA ARG A 32 -9.288 -7.532 1.504 1.00 0.00 C ATOM 354 C ARG A 32 -10.007 -6.289 0.950 1.00 0.00 C ATOM 355 O ARG A 32 -11.220 -6.347 0.724 1.00 0.00 O ATOM 356 CB ARG A 32 -9.575 -7.642 3.013 1.00 0.00 C ATOM 357 CG ARG A 32 -8.815 -8.776 3.724 1.00 0.00 C ATOM 358 CD ARG A 32 -9.179 -8.774 5.209 1.00 0.00 C ATOM 359 NE ARG A 32 -8.419 -9.777 5.966 1.00 0.00 N ATOM 360 CZ ARG A 32 -8.660 -10.148 7.215 1.00 0.00 C ATOM 361 NH1 ARG A 32 -9.648 -9.662 7.932 1.00 0.00 N ATOM 362 NH2 ARG A 32 -7.886 -11.046 7.770 1.00 0.00 N ATOM 0 H ARG A 32 -7.349 -6.887 1.900 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.675 -8.403 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.319 -6.695 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.645 -7.792 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.070 -9.737 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.740 -8.642 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.990 -7.785 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.246 -8.968 5.320 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.638 -10.227 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.274 -8.964 7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.789 -9.983 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.112 -11.449 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.057 -11.343 8.731 1.00 0.00 H new ATOM 373 N LEU A 33 -9.292 -5.167 0.759 1.00 0.00 N ATOM 374 CA LEU A 33 -9.844 -3.907 0.234 1.00 0.00 C ATOM 375 C LEU A 33 -10.557 -4.111 -1.115 1.00 0.00 C ATOM 376 O LEU A 33 -9.990 -4.660 -2.064 1.00 0.00 O ATOM 377 CB LEU A 33 -8.735 -2.844 0.078 1.00 0.00 C ATOM 378 CG LEU A 33 -7.981 -2.417 1.354 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.939 -1.348 0.998 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.888 -1.832 2.442 1.00 0.00 C ATOM 0 H LEU A 33 -8.296 -5.110 0.969 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.579 -3.557 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.003 -3.222 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.181 -1.953 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.526 -3.325 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.406 -1.046 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.231 -1.756 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.440 -0.482 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.286 -1.555 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.396 -0.948 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.628 -2.576 2.738 1.00 0.00 H new ATOM 391 N LYS A 34 -11.796 -3.620 -1.211 1.00 0.00 N ATOM 392 CA LYS A 34 -12.658 -3.766 -2.392 1.00 0.00 C ATOM 393 C LYS A 34 -11.968 -3.233 -3.664 1.00 0.00 C ATOM 394 O LYS A 34 -11.781 -2.017 -3.802 1.00 0.00 O ATOM 395 CB LYS A 34 -14.004 -3.058 -2.124 1.00 0.00 C ATOM 396 CG LYS A 34 -14.880 -3.826 -1.115 1.00 0.00 C ATOM 397 CD LYS A 34 -16.055 -3.005 -0.562 1.00 0.00 C ATOM 398 CE LYS A 34 -17.020 -2.495 -1.643 1.00 0.00 C ATOM 399 NZ LYS A 34 -18.105 -1.685 -1.041 1.00 0.00 N ATOM 0 H LYS A 34 -12.239 -3.098 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.848 -4.824 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.814 -2.053 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.547 -2.948 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.270 -4.723 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.256 -4.156 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.611 -3.617 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.661 -2.153 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.474 -1.895 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.448 -3.340 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.745 -1.351 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.638 -2.267 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.694 -0.868 -0.546 1.00 0.00 H new ATOM 409 N GLY A 35 -11.574 -4.144 -4.566 1.00 0.00 N ATOM 410 CA GLY A 35 -10.856 -3.853 -5.817 1.00 0.00 C ATOM 411 C GLY A 35 -9.365 -4.221 -5.833 1.00 0.00 C ATOM 412 O GLY A 35 -8.753 -4.114 -6.895 1.00 0.00 O ATOM 0 H GLY A 35 -11.753 -5.140 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.351 -4.385 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.950 -2.788 -6.029 1.00 0.00 H new ATOM 416 N VAL A 36 -8.779 -4.663 -4.710 1.00 0.00 N ATOM 417 CA VAL A 36 -7.383 -5.151 -4.639 1.00 0.00 C ATOM 418 C VAL A 36 -7.356 -6.681 -4.762 1.00 0.00 C ATOM 419 O VAL A 36 -8.167 -7.368 -4.139 1.00 0.00 O ATOM 420 CB VAL A 36 -6.675 -4.699 -3.337 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.213 -5.184 -3.288 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.682 -3.163 -3.222 1.00 0.00 C ATOM 0 H VAL A 36 -9.262 -4.694 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.835 -4.712 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.226 -5.141 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.749 -4.848 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.189 -6.273 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.665 -4.775 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.180 -2.865 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.160 -2.732 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.711 -2.804 -3.207 1.00 0.00 H new ATOM 432 N ALA A 37 -6.431 -7.208 -5.575 1.00 0.00 N ATOM 433 CA ALA A 37 -6.406 -8.615 -5.997 1.00 0.00 C ATOM 434 C ALA A 37 -5.175 -9.427 -5.542 1.00 0.00 C ATOM 435 O ALA A 37 -5.269 -10.651 -5.444 1.00 0.00 O ATOM 436 CB ALA A 37 -6.510 -8.618 -7.525 1.00 0.00 C ATOM 0 H ALA A 37 -5.665 -6.659 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.241 -9.118 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.495 -9.645 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.441 -8.139 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.667 -8.071 -7.948 1.00 0.00 H new ATOM 442 N GLU A 38 -4.036 -8.785 -5.263 1.00 0.00 N ATOM 443 CA GLU A 38 -2.794 -9.430 -4.802 1.00 0.00 C ATOM 444 C GLU A 38 -1.891 -8.366 -4.165 1.00 0.00 C ATOM 445 O GLU A 38 -1.788 -7.265 -4.704 1.00 0.00 O ATOM 446 CB GLU A 38 -2.080 -10.146 -5.973 1.00 0.00 C ATOM 447 CG GLU A 38 -0.964 -11.102 -5.528 1.00 0.00 C ATOM 448 CD GLU A 38 -0.204 -11.679 -6.727 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.845 -12.281 -7.621 1.00 0.00 O ATOM 450 OE2 GLU A 38 1.040 -11.526 -6.802 1.00 0.00 O ATOM 0 H GLU A 38 -3.946 -7.773 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.030 -10.190 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.818 -10.706 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.658 -9.396 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.269 -10.572 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.393 -11.915 -4.943 1.00 0.00 H new ATOM 455 N ALA A 39 -1.219 -8.648 -3.047 1.00 0.00 N ATOM 456 CA ALA A 39 -0.446 -7.634 -2.317 1.00 0.00 C ATOM 457 C ALA A 39 0.675 -8.226 -1.454 1.00 0.00 C ATOM 458 O ALA A 39 0.500 -9.268 -0.825 1.00 0.00 O ATOM 459 CB ALA A 39 -1.414 -6.812 -1.459 1.00 0.00 C ATOM 0 H ALA A 39 -1.193 -9.575 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 39 0.054 -7.001 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.858 -6.053 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.149 -6.328 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.924 -7.469 -0.755 1.00 0.00 H new ATOM 465 N SER A 40 1.807 -7.529 -1.372 1.00 0.00 N ATOM 466 CA SER A 40 2.999 -8.012 -0.666 1.00 0.00 C ATOM 467 C SER A 40 3.821 -6.849 -0.087 1.00 0.00 C ATOM 468 O SER A 40 4.236 -5.954 -0.827 1.00 0.00 O ATOM 469 CB SER A 40 3.893 -8.821 -1.620 1.00 0.00 C ATOM 470 OG SER A 40 3.265 -10.001 -2.101 1.00 0.00 O ATOM 0 H SER A 40 1.927 -6.608 -1.795 1.00 0.00 H new ATOM 0 HA SER A 40 2.656 -8.644 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.173 -8.194 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.815 -9.091 -1.105 1.00 0.00 H new ATOM 0 HG SER A 40 3.876 -10.475 -2.703 1.00 0.00 H new ATOM 475 N VAL A 41 4.114 -6.864 1.215 1.00 0.00 N ATOM 476 CA VAL A 41 5.113 -5.960 1.829 1.00 0.00 C ATOM 477 C VAL A 41 6.539 -6.519 1.687 1.00 0.00 C ATOM 478 O VAL A 41 6.725 -7.728 1.515 1.00 0.00 O ATOM 479 CB VAL A 41 4.799 -5.622 3.306 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.428 -4.932 3.404 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.879 -6.838 4.244 1.00 0.00 C ATOM 0 H VAL A 41 3.671 -7.498 1.880 1.00 0.00 H new ATOM 0 HA VAL A 41 5.052 -5.024 1.274 1.00 0.00 H new ATOM 0 HB VAL A 41 5.576 -4.938 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.213 -4.697 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.441 -4.012 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.657 -5.598 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.647 -6.527 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.162 -7.593 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.885 -7.257 4.212 1.00 0.00 H new ATOM 491 N THR A 42 7.541 -5.633 1.781 1.00 0.00 N ATOM 492 CA THR A 42 8.970 -5.984 1.821 1.00 0.00 C ATOM 493 C THR A 42 9.629 -5.213 2.960 1.00 0.00 C ATOM 494 O THR A 42 9.865 -4.012 2.835 1.00 0.00 O ATOM 495 CB THR A 42 9.639 -5.656 0.478 1.00 0.00 C ATOM 496 OG1 THR A 42 9.062 -6.440 -0.540 1.00 0.00 O ATOM 497 CG2 THR A 42 11.133 -5.973 0.474 1.00 0.00 C ATOM 0 H THR A 42 7.377 -4.628 1.833 1.00 0.00 H new ATOM 0 HA THR A 42 9.085 -7.054 1.994 1.00 0.00 H new ATOM 0 HB THR A 42 9.494 -4.588 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.488 -6.229 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.556 -5.722 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.631 -5.388 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.280 -7.035 0.671 1.00 0.00 H new ATOM 505 N VAL A 43 9.946 -5.898 4.058 1.00 0.00 N ATOM 506 CA VAL A 43 10.636 -5.303 5.226 1.00 0.00 C ATOM 507 C VAL A 43 12.151 -5.129 4.977 1.00 0.00 C ATOM 508 O VAL A 43 12.766 -4.224 5.544 1.00 0.00 O ATOM 509 CB VAL A 43 10.363 -6.133 6.508 1.00 0.00 C ATOM 510 CG1 VAL A 43 11.167 -5.662 7.735 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.871 -6.047 6.883 1.00 0.00 C ATOM 0 H VAL A 43 9.734 -6.889 4.173 1.00 0.00 H new ATOM 0 HA VAL A 43 10.226 -4.304 5.375 1.00 0.00 H new ATOM 0 HB VAL A 43 10.670 -7.150 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.923 -6.289 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.233 -5.737 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.914 -4.626 7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.688 -6.632 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.601 -5.007 7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.267 -6.441 6.066 1.00 0.00 H new ATOM 521 N ALA A 44 12.757 -5.940 4.097 1.00 0.00 N ATOM 522 CA ALA A 44 14.197 -5.907 3.794 1.00 0.00 C ATOM 523 C ALA A 44 14.685 -4.584 3.168 1.00 0.00 C ATOM 524 O ALA A 44 15.840 -4.191 3.368 1.00 0.00 O ATOM 525 CB ALA A 44 14.513 -7.101 2.882 1.00 0.00 C ATOM 0 H ALA A 44 12.252 -6.650 3.566 1.00 0.00 H new ATOM 0 HA ALA A 44 14.739 -5.975 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.576 -7.103 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.256 -8.028 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.932 -7.021 1.963 1.00 0.00 H new ATOM 531 N THR A 45 13.814 -3.883 2.428 1.00 0.00 N ATOM 532 CA THR A 45 14.061 -2.548 1.841 1.00 0.00 C ATOM 533 C THR A 45 13.063 -1.492 2.323 1.00 0.00 C ATOM 534 O THR A 45 13.323 -0.300 2.131 1.00 0.00 O ATOM 535 CB THR A 45 14.073 -2.627 0.305 1.00 0.00 C ATOM 536 OG1 THR A 45 12.919 -3.297 -0.138 1.00 0.00 O ATOM 537 CG2 THR A 45 15.297 -3.383 -0.208 1.00 0.00 C ATOM 0 H THR A 45 12.883 -4.239 2.211 1.00 0.00 H new ATOM 0 HA THR A 45 15.043 -2.228 2.189 1.00 0.00 H new ATOM 0 HB THR A 45 14.103 -1.608 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.925 -3.346 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.272 -3.419 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.203 -2.872 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.290 -4.398 0.189 1.00 0.00 H new ATOM 545 N GLY A 46 11.961 -1.895 2.968 1.00 0.00 N ATOM 546 CA GLY A 46 10.954 -1.025 3.586 1.00 0.00 C ATOM 547 C GLY A 46 10.058 -0.367 2.544 1.00 0.00 C ATOM 548 O GLY A 46 10.161 0.838 2.304 1.00 0.00 O ATOM 0 H GLY A 46 11.737 -2.884 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.343 -1.609 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.452 -0.255 4.176 1.00 0.00 H new ATOM 552 N ARG A 47 9.188 -1.165 1.918 1.00 0.00 N ATOM 553 CA ARG A 47 8.334 -0.757 0.798 1.00 0.00 C ATOM 554 C ARG A 47 7.122 -1.687 0.636 1.00 0.00 C ATOM 555 O ARG A 47 6.940 -2.636 1.405 1.00 0.00 O ATOM 556 CB ARG A 47 9.164 -0.638 -0.498 1.00 0.00 C ATOM 557 CG ARG A 47 9.754 -1.979 -0.958 1.00 0.00 C ATOM 558 CD ARG A 47 10.361 -1.894 -2.360 1.00 0.00 C ATOM 559 NE ARG A 47 11.498 -0.962 -2.441 1.00 0.00 N ATOM 560 CZ ARG A 47 12.089 -0.572 -3.561 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.685 -0.989 -4.742 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.113 0.246 -3.502 1.00 0.00 N ATOM 0 H ARG A 47 9.054 -2.141 2.184 1.00 0.00 H new ATOM 0 HA ARG A 47 7.929 0.230 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.534 -0.234 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.974 0.074 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.520 -2.298 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.974 -2.740 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.690 -2.887 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.591 -1.580 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 47 11.860 -0.586 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.896 -1.631 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.161 -0.670 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.449 0.578 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.573 0.550 -4.360 1.00 0.00 H new ATOM 573 N LEU A 48 6.288 -1.388 -0.358 1.00 0.00 N ATOM 574 CA LEU A 48 4.977 -1.992 -0.574 1.00 0.00 C ATOM 575 C LEU A 48 4.767 -2.328 -2.058 1.00 0.00 C ATOM 576 O LEU A 48 5.223 -1.581 -2.926 1.00 0.00 O ATOM 577 CB LEU A 48 3.926 -0.969 -0.087 1.00 0.00 C ATOM 578 CG LEU A 48 2.877 -1.541 0.867 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.949 -0.377 1.233 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.081 -2.700 0.247 1.00 0.00 C ATOM 0 H LEU A 48 6.518 -0.689 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 48 4.888 -2.929 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.441 -0.147 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.418 -0.548 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 48 3.364 -1.963 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.176 -0.729 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.527 0.412 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.483 0.015 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.351 -3.067 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.564 -2.349 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.763 -3.507 -0.022 1.00 0.00 H new ATOM 591 N THR A 49 4.022 -3.406 -2.331 1.00 0.00 N ATOM 592 CA THR A 49 3.639 -3.870 -3.675 1.00 0.00 C ATOM 593 C THR A 49 2.172 -4.266 -3.656 1.00 0.00 C ATOM 594 O THR A 49 1.733 -4.950 -2.731 1.00 0.00 O ATOM 595 CB THR A 49 4.499 -5.060 -4.117 1.00 0.00 C ATOM 596 OG1 THR A 49 5.854 -4.712 -3.950 1.00 0.00 O ATOM 597 CG2 THR A 49 4.258 -5.405 -5.588 1.00 0.00 C ATOM 0 H THR A 49 3.653 -4.005 -1.593 1.00 0.00 H new ATOM 0 HA THR A 49 3.801 -3.062 -4.388 1.00 0.00 H new ATOM 0 HB THR A 49 4.234 -5.928 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.421 -5.462 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.883 -6.253 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.209 -5.663 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.510 -4.546 -6.209 1.00 0.00 H new ATOM 605 N VAL A 50 1.422 -3.844 -4.671 1.00 0.00 N ATOM 606 CA VAL A 50 -0.040 -4.017 -4.737 1.00 0.00 C ATOM 607 C VAL A 50 -0.525 -4.182 -6.184 1.00 0.00 C ATOM 608 O VAL A 50 -0.015 -3.519 -7.086 1.00 0.00 O ATOM 609 CB VAL A 50 -0.745 -2.840 -4.016 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.535 -1.494 -4.729 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.246 -3.092 -3.808 1.00 0.00 C ATOM 0 H VAL A 50 1.810 -3.366 -5.484 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.305 -4.939 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.269 -2.781 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.051 -0.707 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.530 -1.268 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.935 -1.552 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.691 -2.237 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.729 -3.230 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.384 -3.987 -3.202 1.00 0.00 H new ATOM 621 N THR A 51 -1.516 -5.060 -6.391 1.00 0.00 N ATOM 622 CA THR A 51 -2.177 -5.345 -7.673 1.00 0.00 C ATOM 623 C THR A 51 -3.654 -4.990 -7.568 1.00 0.00 C ATOM 624 O THR A 51 -4.375 -5.563 -6.751 1.00 0.00 O ATOM 625 CB THR A 51 -2.001 -6.822 -8.048 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.645 -7.075 -8.326 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.768 -7.217 -9.309 1.00 0.00 C ATOM 0 H THR A 51 -1.898 -5.620 -5.629 1.00 0.00 H new ATOM 0 HA THR A 51 -1.720 -4.742 -8.457 1.00 0.00 H new ATOM 0 HB THR A 51 -2.379 -7.393 -7.200 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.530 -8.019 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.602 -8.273 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.833 -7.040 -9.158 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.417 -6.619 -10.150 1.00 0.00 H new ATOM 635 N TYR A 52 -4.105 -4.086 -8.436 1.00 0.00 N ATOM 636 CA TYR A 52 -5.477 -3.558 -8.492 1.00 0.00 C ATOM 637 C TYR A 52 -5.853 -3.096 -9.914 1.00 0.00 C ATOM 638 O TYR A 52 -4.967 -2.906 -10.752 1.00 0.00 O ATOM 639 CB TYR A 52 -5.632 -2.414 -7.471 1.00 0.00 C ATOM 640 CG TYR A 52 -4.790 -1.164 -7.713 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.164 -0.228 -8.697 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.654 -0.904 -6.918 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.411 0.944 -8.899 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.904 0.276 -7.101 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.279 1.204 -8.097 1.00 0.00 C ATOM 646 OH TYR A 52 -2.562 2.343 -8.299 1.00 0.00 O ATOM 0 H TYR A 52 -3.502 -3.681 -9.152 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.168 -4.360 -8.232 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.681 -2.119 -7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.387 -2.804 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.039 -0.412 -9.303 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.356 -1.615 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.700 1.645 -9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.043 0.470 -6.479 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.814 2.375 -7.666 1.00 0.00 H new ATOM 655 N ASP A 53 -7.145 -2.887 -10.198 1.00 0.00 N ATOM 656 CA ASP A 53 -7.623 -2.282 -11.446 1.00 0.00 C ATOM 657 C ASP A 53 -7.751 -0.745 -11.293 1.00 0.00 C ATOM 658 O ASP A 53 -8.513 -0.283 -10.432 1.00 0.00 O ATOM 659 CB ASP A 53 -8.967 -2.902 -11.852 1.00 0.00 C ATOM 660 CG ASP A 53 -9.583 -2.141 -13.027 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.134 -2.328 -14.180 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.493 -1.316 -12.792 1.00 0.00 O ATOM 0 H ASP A 53 -7.898 -3.137 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.896 -2.483 -12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.823 -3.947 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.651 -2.886 -11.004 1.00 0.00 H new ATOM 666 N PRO A 54 -7.046 0.054 -12.122 1.00 0.00 N ATOM 667 CA PRO A 54 -6.950 1.508 -11.981 1.00 0.00 C ATOM 668 C PRO A 54 -8.197 2.260 -12.484 1.00 0.00 C ATOM 669 O PRO A 54 -8.113 3.447 -12.798 1.00 0.00 O ATOM 670 CB PRO A 54 -5.676 1.890 -12.747 1.00 0.00 C ATOM 671 CG PRO A 54 -5.679 0.885 -13.891 1.00 0.00 C ATOM 672 CD PRO A 54 -6.183 -0.386 -13.213 1.00 0.00 C ATOM 0 HA PRO A 54 -6.899 1.800 -10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.710 2.918 -13.107 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.784 1.799 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.334 1.198 -14.704 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.684 0.751 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.732 -1.012 -13.917 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.352 -0.983 -12.837 1.00 0.00 H new ATOM 677 N LYS A 55 -9.354 1.590 -12.569 1.00 0.00 N ATOM 678 CA LYS A 55 -10.647 2.239 -12.839 1.00 0.00 C ATOM 679 C LYS A 55 -11.688 1.921 -11.759 1.00 0.00 C ATOM 680 O LYS A 55 -12.426 2.820 -11.351 1.00 0.00 O ATOM 681 CB LYS A 55 -11.158 1.861 -14.238 1.00 0.00 C ATOM 682 CG LYS A 55 -10.299 2.505 -15.341 1.00 0.00 C ATOM 683 CD LYS A 55 -10.911 2.340 -16.737 1.00 0.00 C ATOM 684 CE LYS A 55 -12.221 3.123 -16.888 1.00 0.00 C ATOM 685 NZ LYS A 55 -12.872 2.848 -18.184 1.00 0.00 N ATOM 0 H LYS A 55 -9.421 0.579 -12.452 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.487 3.317 -12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.146 0.777 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.194 2.181 -14.348 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.174 3.566 -15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.305 2.059 -15.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.197 2.680 -17.488 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.097 1.283 -16.929 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.899 2.859 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.020 4.191 -16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.755 3.394 -18.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.234 3.123 -18.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.086 1.833 -18.256 1.00 0.00 H new ATOM 695 N GLN A 56 -11.691 0.692 -11.231 1.00 0.00 N ATOM 696 CA GLN A 56 -12.386 0.344 -9.990 1.00 0.00 C ATOM 697 C GLN A 56 -11.825 1.128 -8.798 1.00 0.00 C ATOM 698 O GLN A 56 -12.615 1.602 -7.984 1.00 0.00 O ATOM 699 CB GLN A 56 -12.273 -1.171 -9.728 1.00 0.00 C ATOM 700 CG GLN A 56 -13.247 -2.008 -10.575 1.00 0.00 C ATOM 701 CD GLN A 56 -14.711 -1.730 -10.225 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.124 -1.743 -9.068 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.553 -1.438 -11.190 1.00 0.00 N ATOM 0 H GLN A 56 -11.205 -0.096 -11.659 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.436 0.613 -10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.253 -1.494 -9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.461 -1.365 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.082 -1.795 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.036 -3.067 -10.427 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.233 -1.421 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.527 -1.228 -10.971 1.00 0.00 H new ATOM 710 N VAL A 57 -10.502 1.318 -8.706 1.00 0.00 N ATOM 711 CA VAL A 57 -9.867 2.106 -7.631 1.00 0.00 C ATOM 712 C VAL A 57 -8.785 3.050 -8.173 1.00 0.00 C ATOM 713 O VAL A 57 -8.473 3.042 -9.364 1.00 0.00 O ATOM 714 CB VAL A 57 -9.277 1.208 -6.513 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.329 0.293 -5.865 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.103 0.338 -6.988 1.00 0.00 C ATOM 0 H VAL A 57 -9.837 0.930 -9.375 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.662 2.710 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.911 1.918 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.858 -0.312 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.117 0.902 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.759 -0.361 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.738 -0.265 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.438 -0.317 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.300 0.978 -7.352 1.00 0.00 H new ATOM 726 N SER A 58 -8.186 3.845 -7.288 1.00 0.00 N ATOM 727 CA SER A 58 -6.951 4.597 -7.526 1.00 0.00 C ATOM 728 C SER A 58 -6.007 4.429 -6.321 1.00 0.00 C ATOM 729 O SER A 58 -6.315 3.686 -5.380 1.00 0.00 O ATOM 730 CB SER A 58 -7.293 6.082 -7.758 1.00 0.00 C ATOM 731 OG SER A 58 -7.684 6.717 -6.552 1.00 0.00 O ATOM 0 H SER A 58 -8.560 3.990 -6.350 1.00 0.00 H new ATOM 0 HA SER A 58 -6.446 4.216 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.428 6.595 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.096 6.162 -8.490 1.00 0.00 H new ATOM 0 HG SER A 58 -7.893 7.658 -6.730 1.00 0.00 H new ATOM 736 N GLU A 59 -4.900 5.180 -6.294 1.00 0.00 N ATOM 737 CA GLU A 59 -4.024 5.306 -5.125 1.00 0.00 C ATOM 738 C GLU A 59 -4.797 5.579 -3.818 1.00 0.00 C ATOM 739 O GLU A 59 -4.355 5.134 -2.762 1.00 0.00 O ATOM 740 CB GLU A 59 -2.932 6.366 -5.378 1.00 0.00 C ATOM 741 CG GLU A 59 -3.445 7.810 -5.495 1.00 0.00 C ATOM 742 CD GLU A 59 -2.298 8.783 -5.769 1.00 0.00 C ATOM 743 OE1 GLU A 59 -1.656 9.261 -4.804 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.024 9.063 -6.961 1.00 0.00 O ATOM 0 H GLU A 59 -4.583 5.725 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.539 4.340 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.206 6.319 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.402 6.109 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.179 7.874 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.954 8.094 -4.574 1.00 0.00 H new ATOM 749 N ILE A 60 -5.976 6.222 -3.865 1.00 0.00 N ATOM 750 CA ILE A 60 -6.862 6.478 -2.706 1.00 0.00 C ATOM 751 C ILE A 60 -7.149 5.211 -1.883 1.00 0.00 C ATOM 752 O ILE A 60 -7.235 5.299 -0.652 1.00 0.00 O ATOM 753 CB ILE A 60 -8.165 7.176 -3.187 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.032 8.717 -3.241 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.383 6.857 -2.303 1.00 0.00 C ATOM 756 CD1 ILE A 60 -6.857 9.260 -4.061 1.00 0.00 C ATOM 0 H ILE A 60 -6.355 6.592 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.339 7.149 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.321 6.776 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.955 9.128 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.941 9.090 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.260 7.374 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.564 5.782 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.189 7.188 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.863 10.349 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.920 8.890 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.950 8.928 -5.095 1.00 0.00 H new ATOM 767 N THR A 61 -7.279 4.041 -2.524 1.00 0.00 N ATOM 768 CA THR A 61 -7.544 2.770 -1.828 1.00 0.00 C ATOM 769 C THR A 61 -6.422 2.412 -0.863 1.00 0.00 C ATOM 770 O THR A 61 -6.704 1.993 0.254 1.00 0.00 O ATOM 771 CB THR A 61 -7.835 1.662 -2.842 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.157 1.878 -3.263 1.00 0.00 O ATOM 773 CG2 THR A 61 -7.817 0.247 -2.265 1.00 0.00 C ATOM 0 H THR A 61 -7.204 3.947 -3.537 1.00 0.00 H new ATOM 0 HA THR A 61 -8.436 2.889 -1.213 1.00 0.00 H new ATOM 0 HB THR A 61 -7.066 1.712 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.617 1.017 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.033 -0.471 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.833 0.038 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.571 0.163 -1.483 1.00 0.00 H new ATOM 781 N ILE A 62 -5.160 2.612 -1.245 1.00 0.00 N ATOM 782 CA ILE A 62 -4.007 2.259 -0.392 1.00 0.00 C ATOM 783 C ILE A 62 -3.458 3.461 0.401 1.00 0.00 C ATOM 784 O ILE A 62 -3.079 3.297 1.558 1.00 0.00 O ATOM 785 CB ILE A 62 -2.955 1.509 -1.245 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.874 0.877 -0.343 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.346 2.371 -2.367 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.930 -0.068 -1.096 1.00 0.00 C ATOM 0 H ILE A 62 -4.902 3.019 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.333 1.576 0.392 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.482 0.706 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.288 1.671 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.360 0.327 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.617 1.782 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.136 2.702 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.853 3.240 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.195 -0.477 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.505 -0.882 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.417 0.482 -1.885 1.00 0.00 H new ATOM 799 N GLN A 63 -3.509 4.677 -0.152 1.00 0.00 N ATOM 800 CA GLN A 63 -3.197 5.946 0.521 1.00 0.00 C ATOM 801 C GLN A 63 -3.897 6.052 1.882 1.00 0.00 C ATOM 802 O GLN A 63 -3.246 6.315 2.896 1.00 0.00 O ATOM 803 CB GLN A 63 -3.673 7.109 -0.374 1.00 0.00 C ATOM 804 CG GLN A 63 -2.716 7.501 -1.515 1.00 0.00 C ATOM 805 CD GLN A 63 -1.530 8.364 -1.085 1.00 0.00 C ATOM 806 OE1 GLN A 63 -1.195 8.486 0.092 1.00 0.00 O ATOM 807 NE2 GLN A 63 -0.857 8.996 -2.022 1.00 0.00 N ATOM 0 H GLN A 63 -3.781 4.812 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.121 5.990 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.636 6.840 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.839 7.984 0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.336 6.592 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.281 8.038 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.130 8.899 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.062 9.583 -1.771 1.00 0.00 H new ATOM 814 N GLU A 64 -5.212 5.810 1.903 1.00 0.00 N ATOM 815 CA GLU A 64 -6.057 5.906 3.094 1.00 0.00 C ATOM 816 C GLU A 64 -5.744 4.841 4.152 1.00 0.00 C ATOM 817 O GLU A 64 -5.985 5.111 5.331 1.00 0.00 O ATOM 818 CB GLU A 64 -7.526 5.823 2.657 1.00 0.00 C ATOM 819 CG GLU A 64 -8.022 7.092 1.944 1.00 0.00 C ATOM 820 CD GLU A 64 -8.514 8.127 2.947 1.00 0.00 C ATOM 821 OE1 GLU A 64 -7.693 8.736 3.667 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.745 8.291 3.097 1.00 0.00 O ATOM 0 H GLU A 64 -5.730 5.535 1.069 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.851 6.863 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.652 4.968 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.148 5.640 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.215 7.516 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.828 6.835 1.257 1.00 0.00 H new ATOM 827 N ARG A 65 -5.173 3.685 3.780 1.00 0.00 N ATOM 828 CA ARG A 65 -4.673 2.676 4.727 1.00 0.00 C ATOM 829 C ARG A 65 -3.455 3.217 5.472 1.00 0.00 C ATOM 830 O ARG A 65 -3.451 3.248 6.700 1.00 0.00 O ATOM 831 CB ARG A 65 -4.342 1.364 3.977 1.00 0.00 C ATOM 832 CG ARG A 65 -3.765 0.219 4.835 1.00 0.00 C ATOM 833 CD ARG A 65 -4.805 -0.734 5.434 1.00 0.00 C ATOM 834 NE ARG A 65 -5.765 -0.052 6.311 1.00 0.00 N ATOM 835 CZ ARG A 65 -5.891 -0.169 7.628 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.097 -0.911 8.371 1.00 0.00 N ATOM 837 NH2 ARG A 65 -6.860 0.477 8.231 1.00 0.00 N ATOM 0 H ARG A 65 -5.044 3.422 2.803 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.446 2.455 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.251 1.006 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.629 1.592 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.075 -0.361 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.183 0.653 5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.345 -1.228 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.294 -1.513 5.999 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.413 0.589 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.336 -1.435 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.243 -0.962 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.501 1.057 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.973 0.400 9.242 1.00 0.00 H new ATOM 848 N ILE A 66 -2.425 3.676 4.752 1.00 0.00 N ATOM 849 CA ILE A 66 -1.200 4.196 5.386 1.00 0.00 C ATOM 850 C ILE A 66 -1.510 5.469 6.199 1.00 0.00 C ATOM 851 O ILE A 66 -0.998 5.617 7.309 1.00 0.00 O ATOM 852 CB ILE A 66 -0.066 4.381 4.344 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.541 3.058 3.814 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.113 5.133 4.983 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.343 2.193 2.918 1.00 0.00 C ATOM 0 H ILE A 66 -2.412 3.700 3.732 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.826 3.461 6.099 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.539 4.916 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.448 3.301 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.842 2.457 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.906 5.260 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.777 6.111 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.493 4.562 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.205 1.300 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.241 1.902 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.626 2.759 2.030 1.00 0.00 H new ATOM 866 N ALA A 67 -2.400 6.338 5.706 1.00 0.00 N ATOM 867 CA ALA A 67 -2.817 7.545 6.419 1.00 0.00 C ATOM 868 C ALA A 67 -3.581 7.234 7.727 1.00 0.00 C ATOM 869 O ALA A 67 -3.330 7.863 8.761 1.00 0.00 O ATOM 870 CB ALA A 67 -3.653 8.405 5.464 1.00 0.00 C ATOM 0 H ALA A 67 -2.851 6.221 4.799 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.928 8.094 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.974 9.311 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.052 8.674 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.528 7.842 5.139 1.00 0.00 H new ATOM 876 N ALA A 68 -4.489 6.250 7.713 1.00 0.00 N ATOM 877 CA ALA A 68 -5.263 5.818 8.887 1.00 0.00 C ATOM 878 C ALA A 68 -4.420 5.071 9.939 1.00 0.00 C ATOM 879 O ALA A 68 -4.791 5.042 11.114 1.00 0.00 O ATOM 880 CB ALA A 68 -6.432 4.962 8.394 1.00 0.00 C ATOM 0 H ALA A 68 -4.712 5.721 6.870 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.629 6.705 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.023 4.628 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.059 5.553 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.047 4.095 7.857 1.00 0.00 H new ATOM 886 N LEU A 69 -3.272 4.517 9.532 1.00 0.00 N ATOM 887 CA LEU A 69 -2.228 3.965 10.413 1.00 0.00 C ATOM 888 C LEU A 69 -1.267 5.028 10.993 1.00 0.00 C ATOM 889 O LEU A 69 -0.364 4.686 11.763 1.00 0.00 O ATOM 890 CB LEU A 69 -1.480 2.878 9.623 1.00 0.00 C ATOM 891 CG LEU A 69 -2.345 1.632 9.336 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.614 0.759 8.316 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.624 0.818 10.607 1.00 0.00 C ATOM 0 H LEU A 69 -3.033 4.436 8.544 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.706 3.539 11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.134 3.298 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.594 2.577 10.182 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.308 1.963 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.211 -0.127 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.460 1.325 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.649 0.456 8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.236 -0.049 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.681 0.484 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.154 1.440 11.328 1.00 0.00 H new ATOM 904 N GLY A 70 -1.459 6.308 10.653 1.00 0.00 N ATOM 905 CA GLY A 70 -0.746 7.454 11.238 1.00 0.00 C ATOM 906 C GLY A 70 0.501 7.893 10.470 1.00 0.00 C ATOM 907 O GLY A 70 1.254 8.725 10.975 1.00 0.00 O ATOM 0 H GLY A 70 -2.135 6.585 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.433 8.298 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.457 7.202 12.258 1.00 0.00 H new ATOM 911 N TYR A 71 0.725 7.365 9.267 1.00 0.00 N ATOM 912 CA TYR A 71 1.887 7.664 8.418 1.00 0.00 C ATOM 913 C TYR A 71 1.452 8.255 7.057 1.00 0.00 C ATOM 914 O TYR A 71 0.314 8.710 6.905 1.00 0.00 O ATOM 915 CB TYR A 71 2.728 6.379 8.304 1.00 0.00 C ATOM 916 CG TYR A 71 3.346 5.957 9.626 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.548 6.552 10.056 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.717 4.990 10.436 1.00 0.00 C ATOM 919 CE1 TYR A 71 5.114 6.200 11.295 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.266 4.650 11.688 1.00 0.00 C ATOM 921 CZ TYR A 71 4.458 5.271 12.131 1.00 0.00 C ATOM 922 OH TYR A 71 4.962 4.996 13.366 1.00 0.00 O ATOM 0 H TYR A 71 0.085 6.696 8.839 1.00 0.00 H new ATOM 0 HA TYR A 71 2.509 8.440 8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.099 5.572 7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.520 6.533 7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.038 7.283 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.812 4.509 10.096 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.050 6.640 11.606 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.777 3.915 12.310 1.00 0.00 H new ATOM 0 HH TYR A 71 4.283 4.534 13.901 1.00 0.00 H new ATOM 931 N THR A 72 2.346 8.271 6.060 1.00 0.00 N ATOM 932 CA THR A 72 2.059 8.718 4.685 1.00 0.00 C ATOM 933 C THR A 72 2.835 7.853 3.685 1.00 0.00 C ATOM 934 O THR A 72 4.005 7.541 3.915 1.00 0.00 O ATOM 935 CB THR A 72 2.446 10.196 4.504 1.00 0.00 C ATOM 936 OG1 THR A 72 1.910 10.974 5.549 1.00 0.00 O ATOM 937 CG2 THR A 72 1.913 10.780 3.197 1.00 0.00 C ATOM 0 H THR A 72 3.311 7.967 6.187 1.00 0.00 H new ATOM 0 HA THR A 72 0.990 8.613 4.502 1.00 0.00 H new ATOM 0 HB THR A 72 3.536 10.225 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.165 11.912 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.213 11.825 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.320 10.220 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.825 10.713 3.185 1.00 0.00 H new ATOM 945 N LEU A 73 2.178 7.475 2.586 1.00 0.00 N ATOM 946 CA LEU A 73 2.710 6.706 1.446 1.00 0.00 C ATOM 947 C LEU A 73 3.359 7.628 0.397 1.00 0.00 C ATOM 948 O LEU A 73 3.030 8.814 0.329 1.00 0.00 O ATOM 949 CB LEU A 73 1.511 5.892 0.904 1.00 0.00 C ATOM 950 CG LEU A 73 1.703 5.016 -0.352 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.790 3.788 -0.228 1.00 0.00 C ATOM 952 CD2 LEU A 73 1.338 5.762 -1.648 1.00 0.00 C ATOM 0 H LEU A 73 1.194 7.711 2.455 1.00 0.00 H new ATOM 0 HA LEU A 73 3.517 6.034 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.165 5.242 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.705 6.595 0.694 1.00 0.00 H new ATOM 0 HG LEU A 73 2.755 4.738 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.911 3.155 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.058 3.224 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.248 4.112 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.490 5.103 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.293 6.070 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.972 6.643 -1.752 1.00 0.00 H new ATOM 963 N ALA A 74 4.247 7.104 -0.455 1.00 0.00 N ATOM 964 CA ALA A 74 4.754 7.807 -1.644 1.00 0.00 C ATOM 965 C ALA A 74 4.876 6.856 -2.848 1.00 0.00 C ATOM 966 O ALA A 74 5.586 5.854 -2.772 1.00 0.00 O ATOM 967 CB ALA A 74 6.097 8.471 -1.308 1.00 0.00 C ATOM 0 H ALA A 74 4.640 6.170 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 74 4.042 8.582 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.475 8.993 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.957 9.184 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.814 7.709 -1.003 1.00 0.00 H new ATOM 973 N GLU A 75 4.202 7.165 -3.960 1.00 0.00 N ATOM 974 CA GLU A 75 4.243 6.360 -5.187 1.00 0.00 C ATOM 975 C GLU A 75 5.230 7.025 -6.175 1.00 0.00 C ATOM 976 O GLU A 75 4.946 8.130 -6.658 1.00 0.00 O ATOM 977 CB GLU A 75 2.824 6.204 -5.771 1.00 0.00 C ATOM 978 CG GLU A 75 2.759 5.040 -6.771 1.00 0.00 C ATOM 979 CD GLU A 75 1.607 5.174 -7.765 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.452 5.444 -7.362 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.858 4.982 -8.976 1.00 0.00 O ATOM 0 H GLU A 75 3.606 7.989 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 75 4.599 5.351 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.112 6.033 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.528 7.129 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.700 4.985 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.653 4.103 -6.224 1.00 0.00 H new ATOM 986 N PRO A 76 6.407 6.425 -6.451 1.00 0.00 N ATOM 987 CA PRO A 76 7.595 7.165 -6.897 1.00 0.00 C ATOM 988 C PRO A 76 7.543 7.678 -8.341 1.00 0.00 C ATOM 989 O PRO A 76 7.824 8.882 -8.543 1.00 0.00 O ATOM 990 CB PRO A 76 8.787 6.229 -6.644 1.00 0.00 C ATOM 991 CG PRO A 76 8.172 4.832 -6.669 1.00 0.00 C ATOM 992 CD PRO A 76 6.784 5.068 -6.077 1.00 0.00 C ATOM 0 HA PRO A 76 7.675 8.094 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.553 6.342 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.263 6.439 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.118 4.431 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.751 4.124 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.067 4.344 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.798 4.953 -4.993 1.00 0.00 H new TER 997 PRO A 76