USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot -160:sc= -0.173 USER MOD Set 1.2: A 68 MET CE :methyl -129:sc= -1.28 (180deg=-2.34!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 177:sc= -0.0379 (180deg=-0.0307) USER MOD Set 2.2: A 57 SER OG : rot 77:sc= 0.927 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -7:sc= -2.16 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -3.2! C(o=-4.6!,f=-3.2!) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0365) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 150:sc= -2.25 USER MOD Single : A 76 TYR OH : rot 135:sc= -1.46 USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= -0.331 (180deg=-1.22!) USER MOD Single : A 80 SER OG : rot -36:sc= 0.802 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= -0.223 (180deg=-0.482) USER MOD Single : A 94 HIS : no HD1:sc= -4.34 X(o=-4.3,f=-4.8!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 44 -1.708 10.482 11.499 1.00 0.00 N ATOM 2 CA LYS A 44 -2.753 9.953 10.585 1.00 0.00 C ATOM 3 C LYS A 44 -2.382 8.565 10.070 1.00 0.00 C ATOM 4 O LYS A 44 -1.204 8.245 9.915 1.00 0.00 O ATOM 5 CB LYS A 44 -2.915 10.928 9.415 1.00 0.00 C ATOM 6 CG LYS A 44 -4.325 11.477 9.272 1.00 0.00 C ATOM 7 CD LYS A 44 -4.593 12.590 10.272 1.00 0.00 C ATOM 8 CE LYS A 44 -5.860 13.357 9.927 1.00 0.00 C ATOM 9 NZ LYS A 44 -6.110 14.474 10.879 1.00 0.00 N ATOM 0 HA LYS A 44 -3.693 9.860 11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.222 11.759 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.635 10.423 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.469 11.854 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.046 10.673 9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.684 12.167 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.746 13.275 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.780 13.754 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.711 12.675 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.982 14.972 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.212 14.094 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.310 15.138 10.852 1.00 0.00 H new ATOM 23 N VAL A 45 -3.399 7.747 9.806 1.00 0.00 N ATOM 24 CA VAL A 45 -3.192 6.391 9.309 1.00 0.00 C ATOM 25 C VAL A 45 -4.459 5.866 8.638 1.00 0.00 C ATOM 26 O VAL A 45 -5.190 5.057 9.211 1.00 0.00 O ATOM 27 CB VAL A 45 -2.799 5.424 10.447 1.00 0.00 C ATOM 28 CG1 VAL A 45 -2.554 4.023 9.904 1.00 0.00 C ATOM 29 CG2 VAL A 45 -1.574 5.928 11.195 1.00 0.00 C ATOM 0 H VAL A 45 -4.379 8.003 9.929 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.378 6.437 8.585 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.631 5.380 11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.278 3.358 10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.462 3.654 9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.746 4.052 9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.320 5.228 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.735 6.012 10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.788 6.906 11.627 1.00 0.00 H new ATOM 39 N GLU A 46 -4.715 6.335 7.421 1.00 0.00 N ATOM 40 CA GLU A 46 -5.894 5.916 6.672 1.00 0.00 C ATOM 41 C GLU A 46 -5.712 4.511 6.106 1.00 0.00 C ATOM 42 O GLU A 46 -6.665 3.736 6.024 1.00 0.00 O ATOM 43 CB GLU A 46 -6.180 6.902 5.538 1.00 0.00 C ATOM 44 CG GLU A 46 -6.562 8.292 6.023 1.00 0.00 C ATOM 45 CD GLU A 46 -7.786 8.841 5.316 1.00 0.00 C ATOM 46 OE1 GLU A 46 -7.862 8.713 4.076 1.00 0.00 O ATOM 47 OE2 GLU A 46 -8.668 9.398 6.003 1.00 0.00 O ATOM 0 H GLU A 46 -4.122 7.006 6.933 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.742 5.903 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.298 6.978 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.986 6.508 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.751 8.259 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.723 8.970 5.868 1.00 0.00 H new ATOM 54 N TYR A 47 -4.484 4.192 5.716 1.00 0.00 N ATOM 55 CA TYR A 47 -4.174 2.882 5.154 1.00 0.00 C ATOM 56 C TYR A 47 -3.971 1.850 6.259 1.00 0.00 C ATOM 57 O TYR A 47 -2.881 1.301 6.424 1.00 0.00 O ATOM 58 CB TYR A 47 -2.924 2.970 4.276 1.00 0.00 C ATOM 59 CG TYR A 47 -2.912 4.179 3.368 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.604 4.174 2.163 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.213 5.328 3.718 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.599 5.279 1.332 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.204 6.437 2.893 1.00 0.00 C ATOM 64 CZ TYR A 47 -2.898 6.407 1.702 1.00 0.00 C ATOM 65 OH TYR A 47 -2.891 7.509 0.879 1.00 0.00 O ATOM 0 H TYR A 47 -3.685 4.823 5.778 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.017 2.563 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.041 2.996 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.851 2.068 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.155 3.292 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.668 5.355 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.141 5.259 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.656 7.322 3.180 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.333 7.288 0.033 1.00 0.00 H new ATOM 75 N SER A 48 -5.035 1.589 7.011 1.00 0.00 N ATOM 76 CA SER A 48 -4.987 0.622 8.102 1.00 0.00 C ATOM 77 C SER A 48 -4.962 -0.801 7.560 1.00 0.00 C ATOM 78 O SER A 48 -4.163 -1.631 7.994 1.00 0.00 O ATOM 79 CB SER A 48 -6.189 0.806 9.029 1.00 0.00 C ATOM 80 OG SER A 48 -7.311 1.301 8.318 1.00 0.00 O ATOM 0 H SER A 48 -5.944 2.035 6.884 1.00 0.00 H new ATOM 0 HA SER A 48 -4.072 0.794 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.441 -0.146 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.930 1.496 9.832 1.00 0.00 H new ATOM 0 HG SER A 48 -8.067 1.408 8.933 1.00 0.00 H new ATOM 86 N GLU A 49 -5.848 -1.069 6.607 1.00 0.00 N ATOM 87 CA GLU A 49 -5.954 -2.386 5.983 1.00 0.00 C ATOM 88 C GLU A 49 -7.243 -2.489 5.176 1.00 0.00 C ATOM 89 O GLU A 49 -7.246 -3.005 4.061 1.00 0.00 O ATOM 90 CB GLU A 49 -5.917 -3.501 7.038 1.00 0.00 C ATOM 91 CG GLU A 49 -4.771 -4.481 6.846 1.00 0.00 C ATOM 92 CD GLU A 49 -4.815 -5.631 7.833 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.891 -5.869 8.421 1.00 0.00 O ATOM 94 OE2 GLU A 49 -3.773 -6.295 8.018 1.00 0.00 O ATOM 0 H GLU A 49 -6.511 -0.384 6.245 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.100 -2.509 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.838 -3.051 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.860 -4.047 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.803 -4.877 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.824 -3.952 6.952 1.00 0.00 H new ATOM 101 N GLU A 50 -8.337 -1.993 5.746 1.00 0.00 N ATOM 102 CA GLU A 50 -9.633 -2.028 5.075 1.00 0.00 C ATOM 103 C GLU A 50 -9.556 -1.371 3.705 1.00 0.00 C ATOM 104 O GLU A 50 -9.878 -1.993 2.692 1.00 0.00 O ATOM 105 CB GLU A 50 -10.699 -1.340 5.932 1.00 0.00 C ATOM 106 CG GLU A 50 -10.236 -0.029 6.553 1.00 0.00 C ATOM 107 CD GLU A 50 -10.971 1.174 5.995 1.00 0.00 C ATOM 108 OE1 GLU A 50 -10.638 1.603 4.870 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.879 1.686 6.682 1.00 0.00 O ATOM 0 H GLU A 50 -8.352 -1.562 6.670 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.912 -3.073 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.579 -1.149 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.007 -2.019 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.383 -0.071 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.166 0.092 6.381 1.00 0.00 H new ATOM 116 N GLU A 51 -9.113 -0.119 3.669 1.00 0.00 N ATOM 117 CA GLU A 51 -8.984 0.592 2.407 1.00 0.00 C ATOM 118 C GLU A 51 -8.020 -0.160 1.503 1.00 0.00 C ATOM 119 O GLU A 51 -8.257 -0.309 0.306 1.00 0.00 O ATOM 120 CB GLU A 51 -8.490 2.022 2.642 1.00 0.00 C ATOM 121 CG GLU A 51 -9.338 3.079 1.953 1.00 0.00 C ATOM 122 CD GLU A 51 -8.902 4.490 2.297 1.00 0.00 C ATOM 123 OE1 GLU A 51 -8.724 4.781 3.498 1.00 0.00 O ATOM 124 OE2 GLU A 51 -8.739 5.305 1.364 1.00 0.00 O ATOM 0 H GLU A 51 -8.840 0.418 4.492 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.961 0.648 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.476 2.221 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.462 2.105 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.282 2.938 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.382 2.945 2.238 1.00 0.00 H new ATOM 131 N LEU A 52 -6.942 -0.656 2.102 1.00 0.00 N ATOM 132 CA LEU A 52 -5.945 -1.421 1.371 1.00 0.00 C ATOM 133 C LEU A 52 -6.584 -2.651 0.738 1.00 0.00 C ATOM 134 O LEU A 52 -6.461 -2.876 -0.466 1.00 0.00 O ATOM 135 CB LEU A 52 -4.810 -1.837 2.304 1.00 0.00 C ATOM 136 CG LEU A 52 -4.169 -0.686 3.078 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.291 -1.217 4.202 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.366 0.201 2.138 1.00 0.00 C ATOM 0 H LEU A 52 -6.739 -0.540 3.095 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.535 -0.794 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.192 -2.568 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.039 -2.337 1.717 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.962 -0.085 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.844 -0.381 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.897 -1.809 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.502 -1.842 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.915 1.017 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.582 -0.388 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.025 0.611 1.373 1.00 0.00 H new ATOM 150 N LYS A 53 -7.282 -3.441 1.557 1.00 0.00 N ATOM 151 CA LYS A 53 -7.956 -4.639 1.071 1.00 0.00 C ATOM 152 C LYS A 53 -8.871 -4.289 -0.094 1.00 0.00 C ATOM 153 O LYS A 53 -8.865 -4.950 -1.131 1.00 0.00 O ATOM 154 CB LYS A 53 -8.756 -5.302 2.194 1.00 0.00 C ATOM 155 CG LYS A 53 -8.066 -6.519 2.787 1.00 0.00 C ATOM 156 CD LYS A 53 -8.550 -7.808 2.142 1.00 0.00 C ATOM 157 CE LYS A 53 -7.744 -8.149 0.898 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.621 -8.508 -0.250 1.00 0.00 N ATOM 0 H LYS A 53 -7.393 -3.270 2.556 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.200 -5.345 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.933 -4.572 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.732 -5.598 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.988 -6.427 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.252 -6.556 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.475 -8.625 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.603 -7.710 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.119 -7.298 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.073 -8.980 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.036 -8.684 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.162 -9.365 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.278 -7.725 -0.443 1.00 0.00 H new ATOM 172 N THR A 54 -9.645 -3.225 0.075 1.00 0.00 N ATOM 173 CA THR A 54 -10.540 -2.774 -0.979 1.00 0.00 C ATOM 174 C THR A 54 -9.727 -2.442 -2.218 1.00 0.00 C ATOM 175 O THR A 54 -10.087 -2.812 -3.336 1.00 0.00 O ATOM 176 CB THR A 54 -11.341 -1.554 -0.523 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.782 -1.713 0.813 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.560 -1.283 -1.380 1.00 0.00 C ATOM 0 H THR A 54 -9.671 -2.663 0.926 1.00 0.00 H new ATOM 0 HA THR A 54 -11.247 -3.570 -1.212 1.00 0.00 H new ATOM 0 HB THR A 54 -10.657 -0.710 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.057 -1.475 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.083 -0.404 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.249 -1.105 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.227 -2.144 -1.347 1.00 0.00 H new ATOM 186 N HIS A 55 -8.610 -1.758 -2.000 1.00 0.00 N ATOM 187 CA HIS A 55 -7.715 -1.389 -3.083 1.00 0.00 C ATOM 188 C HIS A 55 -7.199 -2.640 -3.781 1.00 0.00 C ATOM 189 O HIS A 55 -7.287 -2.759 -5.002 1.00 0.00 O ATOM 190 CB HIS A 55 -6.542 -0.563 -2.552 1.00 0.00 C ATOM 191 CG HIS A 55 -6.960 0.679 -1.829 1.00 0.00 C ATOM 192 ND1 HIS A 55 -6.364 1.363 -0.823 1.00 0.00 N flip ATOM 193 CD2 HIS A 55 -8.123 1.363 -2.117 1.00 0.00 C flip ATOM 194 CE1 HIS A 55 -7.170 2.434 -0.526 1.00 0.00 C flip ATOM 195 NE2 HIS A 55 -8.224 2.412 -1.320 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.304 -1.448 -1.078 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.269 -0.783 -3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.948 -1.182 -1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.896 -0.288 -3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.839 1.084 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.973 3.175 0.235 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.987 3.089 -1.319 1.00 0.00 H new ATOM 204 N ILE A 56 -6.666 -3.579 -2.999 1.00 0.00 N ATOM 205 CA ILE A 56 -6.151 -4.823 -3.563 1.00 0.00 C ATOM 206 C ILE A 56 -7.249 -5.564 -4.323 1.00 0.00 C ATOM 207 O ILE A 56 -7.031 -6.049 -5.433 1.00 0.00 O ATOM 208 CB ILE A 56 -5.516 -5.747 -2.488 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.491 -6.677 -3.139 1.00 0.00 C ATOM 210 CG2 ILE A 56 -6.565 -6.560 -1.739 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.516 -7.286 -2.157 1.00 0.00 C ATOM 0 H ILE A 56 -6.581 -3.503 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.357 -4.550 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.018 -5.109 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.018 -7.477 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.934 -6.120 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.075 -7.191 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.259 -5.885 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.112 -7.186 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.820 -7.933 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.962 -6.493 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.062 -7.871 -1.417 1.00 0.00 H new ATOM 223 N SER A 57 -8.435 -5.641 -3.718 1.00 0.00 N ATOM 224 CA SER A 57 -9.570 -6.314 -4.339 1.00 0.00 C ATOM 225 C SER A 57 -9.877 -5.712 -5.706 1.00 0.00 C ATOM 226 O SER A 57 -9.774 -6.384 -6.732 1.00 0.00 O ATOM 227 CB SER A 57 -10.803 -6.218 -3.438 1.00 0.00 C ATOM 228 OG SER A 57 -10.588 -6.885 -2.206 1.00 0.00 O ATOM 0 H SER A 57 -8.632 -5.245 -2.799 1.00 0.00 H new ATOM 0 HA SER A 57 -9.309 -7.364 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.040 -5.171 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.663 -6.654 -3.946 1.00 0.00 H new ATOM 0 HG SER A 57 -10.020 -6.333 -1.630 1.00 0.00 H new ATOM 234 N LYS A 58 -10.256 -4.439 -5.707 1.00 0.00 N ATOM 235 CA LYS A 58 -10.583 -3.732 -6.939 1.00 0.00 C ATOM 236 C LYS A 58 -9.372 -3.659 -7.864 1.00 0.00 C ATOM 237 O LYS A 58 -9.457 -3.995 -9.045 1.00 0.00 O ATOM 238 CB LYS A 58 -11.076 -2.318 -6.619 1.00 0.00 C ATOM 239 CG LYS A 58 -12.509 -2.262 -6.106 1.00 0.00 C ATOM 240 CD LYS A 58 -12.774 -3.319 -5.044 1.00 0.00 C ATOM 241 CE LYS A 58 -14.209 -3.259 -4.546 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.410 -4.094 -3.330 1.00 0.00 N ATOM 0 H LYS A 58 -10.345 -3.873 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.373 -4.284 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.416 -1.875 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.998 -1.705 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.708 -1.274 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.198 -2.403 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.571 -4.308 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.091 -3.175 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.473 -2.225 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.881 -3.598 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.366 -3.934 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.298 -5.098 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.706 -3.833 -2.610 1.00 0.00 H new ATOM 256 N GLY A 59 -8.246 -3.215 -7.315 1.00 0.00 N ATOM 257 CA GLY A 59 -7.030 -3.100 -8.099 1.00 0.00 C ATOM 258 C GLY A 59 -6.574 -1.662 -8.255 1.00 0.00 C ATOM 259 O GLY A 59 -5.858 -1.330 -9.200 1.00 0.00 O ATOM 0 H GLY A 59 -8.154 -2.932 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.239 -3.679 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.195 -3.535 -9.085 1.00 0.00 H new ATOM 263 N THR A 60 -6.989 -0.804 -7.326 1.00 0.00 N ATOM 264 CA THR A 60 -6.620 0.607 -7.367 1.00 0.00 C ATOM 265 C THR A 60 -5.484 0.918 -6.392 1.00 0.00 C ATOM 266 O THR A 60 -5.055 2.067 -6.278 1.00 0.00 O ATOM 267 CB THR A 60 -7.833 1.480 -7.045 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.429 1.078 -5.824 1.00 0.00 O ATOM 269 CG2 THR A 60 -8.903 1.436 -8.114 1.00 0.00 C ATOM 0 H THR A 60 -7.581 -1.062 -6.536 1.00 0.00 H new ATOM 0 HA THR A 60 -6.271 0.829 -8.376 1.00 0.00 H new ATOM 0 HB THR A 60 -7.448 2.498 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.202 1.649 -5.634 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.735 2.077 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.488 1.787 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.258 0.412 -8.232 1.00 0.00 H new ATOM 277 N LEU A 61 -4.997 -0.103 -5.690 1.00 0.00 N ATOM 278 CA LEU A 61 -3.913 0.080 -4.732 1.00 0.00 C ATOM 279 C LEU A 61 -2.667 0.633 -5.418 1.00 0.00 C ATOM 280 O LEU A 61 -1.847 1.303 -4.790 1.00 0.00 O ATOM 281 CB LEU A 61 -3.586 -1.245 -4.038 1.00 0.00 C ATOM 282 CG LEU A 61 -2.432 -1.182 -3.036 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.829 -0.366 -1.816 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.005 -2.583 -2.627 1.00 0.00 C ATOM 0 H LEU A 61 -5.336 -1.062 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.242 0.801 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.478 -1.597 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.346 -1.987 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.585 -0.691 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.996 -0.332 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.086 0.648 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.691 -0.828 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.183 -2.519 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.847 -3.100 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.679 -3.136 -3.508 1.00 0.00 H new ATOM 296 N GLY A 62 -2.531 0.349 -6.710 1.00 0.00 N ATOM 297 CA GLY A 62 -1.382 0.828 -7.459 1.00 0.00 C ATOM 298 C GLY A 62 -1.643 2.155 -8.149 1.00 0.00 C ATOM 299 O GLY A 62 -0.865 2.577 -9.004 1.00 0.00 O ATOM 0 H GLY A 62 -3.195 -0.204 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.533 0.935 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.104 0.084 -8.205 1.00 0.00 H new ATOM 303 N LYS A 63 -2.736 2.815 -7.778 1.00 0.00 N ATOM 304 CA LYS A 63 -3.088 4.100 -8.369 1.00 0.00 C ATOM 305 C LYS A 63 -2.504 5.246 -7.552 1.00 0.00 C ATOM 306 O LYS A 63 -1.836 6.130 -8.091 1.00 0.00 O ATOM 307 CB LYS A 63 -4.608 4.247 -8.461 1.00 0.00 C ATOM 308 CG LYS A 63 -5.230 3.436 -9.588 1.00 0.00 C ATOM 309 CD LYS A 63 -5.852 4.333 -10.646 1.00 0.00 C ATOM 310 CE LYS A 63 -6.958 5.198 -10.062 1.00 0.00 C ATOM 311 NZ LYS A 63 -7.810 5.801 -11.124 1.00 0.00 N ATOM 0 H LYS A 63 -3.392 2.481 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.668 4.138 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.053 3.939 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.855 5.299 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.468 2.806 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.991 2.771 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.083 4.970 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.255 3.721 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.578 4.596 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.518 5.990 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.552 6.383 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.224 6.396 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.251 5.045 -11.686 1.00 0.00 H new ATOM 325 N PHE A 64 -2.758 5.223 -6.247 1.00 0.00 N ATOM 326 CA PHE A 64 -2.257 6.257 -5.345 1.00 0.00 C ATOM 327 C PHE A 64 -0.779 6.541 -5.599 1.00 0.00 C ATOM 328 O PHE A 64 -0.062 5.707 -6.153 1.00 0.00 O ATOM 329 CB PHE A 64 -2.461 5.836 -3.889 1.00 0.00 C ATOM 330 CG PHE A 64 -3.883 5.478 -3.563 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.792 6.460 -3.202 1.00 0.00 C ATOM 332 CD2 PHE A 64 -4.310 4.161 -3.619 1.00 0.00 C ATOM 333 CE1 PHE A 64 -6.101 6.134 -2.902 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.618 3.830 -3.320 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.515 4.818 -2.961 1.00 0.00 C ATOM 0 H PHE A 64 -3.309 4.498 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.820 7.170 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.821 4.981 -3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.140 6.647 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.474 7.491 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.613 3.385 -3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.800 6.908 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.939 2.800 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.538 4.561 -2.727 1.00 0.00 H new ATOM 345 N THR A 65 -0.331 7.722 -5.189 1.00 0.00 N ATOM 346 CA THR A 65 1.061 8.116 -5.370 1.00 0.00 C ATOM 347 C THR A 65 1.970 7.356 -4.411 1.00 0.00 C ATOM 348 O THR A 65 1.554 6.383 -3.781 1.00 0.00 O ATOM 349 CB THR A 65 1.216 9.622 -5.155 1.00 0.00 C ATOM 350 OG1 THR A 65 1.069 9.951 -3.785 1.00 0.00 O ATOM 351 CG2 THR A 65 0.213 10.444 -5.935 1.00 0.00 C ATOM 0 H THR A 65 -0.911 8.423 -4.729 1.00 0.00 H new ATOM 0 HA THR A 65 1.354 7.869 -6.390 1.00 0.00 H new ATOM 0 HB THR A 65 2.217 9.863 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.854 10.903 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.378 11.503 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.334 10.251 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.797 10.171 -5.629 1.00 0.00 H new ATOM 359 N VAL A 66 3.213 7.807 -4.309 1.00 0.00 N ATOM 360 CA VAL A 66 4.190 7.177 -3.433 1.00 0.00 C ATOM 361 C VAL A 66 3.948 7.557 -1.969 1.00 0.00 C ATOM 362 O VAL A 66 3.714 6.683 -1.136 1.00 0.00 O ATOM 363 CB VAL A 66 5.627 7.563 -3.846 1.00 0.00 C ATOM 364 CG1 VAL A 66 6.640 7.125 -2.795 1.00 0.00 C ATOM 365 CG2 VAL A 66 5.965 6.961 -5.201 1.00 0.00 C ATOM 0 H VAL A 66 3.569 8.611 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 66 4.072 6.098 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 66 5.678 8.649 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.642 7.411 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.410 7.608 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.593 6.043 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.981 7.241 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.890 5.875 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.267 7.335 -5.950 1.00 0.00 H new ATOM 375 N PRO A 67 3.995 8.863 -1.627 1.00 0.00 N ATOM 376 CA PRO A 67 3.774 9.327 -0.253 1.00 0.00 C ATOM 377 C PRO A 67 2.553 8.675 0.384 1.00 0.00 C ATOM 378 O PRO A 67 2.504 8.480 1.599 1.00 0.00 O ATOM 379 CB PRO A 67 3.566 10.844 -0.399 1.00 0.00 C ATOM 380 CG PRO A 67 3.519 11.114 -1.869 1.00 0.00 C ATOM 381 CD PRO A 67 4.257 9.988 -2.530 1.00 0.00 C ATOM 0 HA PRO A 67 4.609 9.070 0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.642 11.160 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.378 11.396 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.489 11.163 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.982 12.072 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.886 9.795 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.323 10.198 -2.618 1.00 0.00 H new ATOM 389 N MET A 68 1.576 8.329 -0.444 1.00 0.00 N ATOM 390 CA MET A 68 0.363 7.684 0.037 1.00 0.00 C ATOM 391 C MET A 68 0.622 6.203 0.280 1.00 0.00 C ATOM 392 O MET A 68 0.225 5.647 1.302 1.00 0.00 O ATOM 393 CB MET A 68 -0.771 7.859 -0.975 1.00 0.00 C ATOM 394 CG MET A 68 -1.469 9.206 -0.881 1.00 0.00 C ATOM 395 SD MET A 68 -3.152 9.162 -1.526 1.00 0.00 S ATOM 396 CE MET A 68 -2.855 9.454 -3.268 1.00 0.00 C ATOM 0 H MET A 68 1.600 8.485 -1.452 1.00 0.00 H new ATOM 0 HA MET A 68 0.067 8.152 0.976 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.371 7.736 -1.981 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.505 7.068 -0.825 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.491 9.527 0.160 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.892 9.949 -1.432 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.497 10.264 -3.616 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.811 9.729 -3.418 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.076 8.548 -3.832 1.00 0.00 H new ATOM 406 N LEU A 69 1.302 5.575 -0.672 1.00 0.00 N ATOM 407 CA LEU A 69 1.635 4.160 -0.576 1.00 0.00 C ATOM 408 C LEU A 69 2.583 3.898 0.588 1.00 0.00 C ATOM 409 O LEU A 69 2.288 3.083 1.463 1.00 0.00 O ATOM 410 CB LEU A 69 2.251 3.679 -1.889 1.00 0.00 C ATOM 411 CG LEU A 69 1.239 3.364 -2.993 1.00 0.00 C ATOM 412 CD1 LEU A 69 1.948 3.120 -4.316 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.392 2.160 -2.610 1.00 0.00 C ATOM 0 H LEU A 69 1.635 6.027 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 69 0.717 3.602 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.939 4.442 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.842 2.785 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 69 0.581 4.225 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.211 2.898 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.511 4.010 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.631 2.277 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.322 1.950 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.037 1.294 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.146 2.373 -1.686 1.00 0.00 H new ATOM 425 N LYS A 70 3.722 4.588 0.605 1.00 0.00 N ATOM 426 CA LYS A 70 4.693 4.409 1.680 1.00 0.00 C ATOM 427 C LYS A 70 4.022 4.542 3.043 1.00 0.00 C ATOM 428 O LYS A 70 4.474 3.959 4.025 1.00 0.00 O ATOM 429 CB LYS A 70 5.847 5.407 1.563 1.00 0.00 C ATOM 430 CG LYS A 70 5.416 6.841 1.331 1.00 0.00 C ATOM 431 CD LYS A 70 6.398 7.557 0.417 1.00 0.00 C ATOM 432 CE LYS A 70 7.004 8.782 1.086 1.00 0.00 C ATOM 433 NZ LYS A 70 8.493 8.755 1.048 1.00 0.00 N ATOM 0 H LYS A 70 3.992 5.268 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 70 5.103 3.403 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.443 5.363 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.496 5.099 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.420 6.859 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.351 7.365 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.193 6.870 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.889 7.858 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.644 9.683 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.668 8.834 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.868 9.606 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.838 7.909 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.815 8.731 0.059 1.00 0.00 H new ATOM 447 N GLU A 71 2.932 5.306 3.092 1.00 0.00 N ATOM 448 CA GLU A 71 2.195 5.501 4.334 1.00 0.00 C ATOM 449 C GLU A 71 1.739 4.163 4.902 1.00 0.00 C ATOM 450 O GLU A 71 2.010 3.846 6.060 1.00 0.00 O ATOM 451 CB GLU A 71 0.985 6.411 4.106 1.00 0.00 C ATOM 452 CG GLU A 71 0.277 6.816 5.389 1.00 0.00 C ATOM 453 CD GLU A 71 0.922 8.014 6.058 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.739 9.143 5.558 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.611 7.822 7.082 1.00 0.00 O ATOM 0 H GLU A 71 2.543 5.798 2.288 1.00 0.00 H new ATOM 0 HA GLU A 71 2.862 5.978 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.310 7.309 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.275 5.901 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.765 7.046 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.278 5.974 6.081 1.00 0.00 H new ATOM 462 N ALA A 72 1.056 3.373 4.077 1.00 0.00 N ATOM 463 CA ALA A 72 0.581 2.063 4.506 1.00 0.00 C ATOM 464 C ALA A 72 1.750 1.193 4.942 1.00 0.00 C ATOM 465 O ALA A 72 1.722 0.583 6.011 1.00 0.00 O ATOM 466 CB ALA A 72 -0.200 1.389 3.388 1.00 0.00 C ATOM 0 H ALA A 72 0.821 3.616 3.115 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.086 2.197 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.547 0.412 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.057 2.006 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.444 1.265 2.518 1.00 0.00 H new ATOM 472 N CYS A 73 2.782 1.151 4.108 1.00 0.00 N ATOM 473 CA CYS A 73 3.972 0.368 4.405 1.00 0.00 C ATOM 474 C CYS A 73 4.639 0.866 5.684 1.00 0.00 C ATOM 475 O CYS A 73 5.101 0.075 6.505 1.00 0.00 O ATOM 476 CB CYS A 73 4.959 0.440 3.238 1.00 0.00 C ATOM 477 SG CYS A 73 4.416 -0.446 1.758 1.00 0.00 S ATOM 0 H CYS A 73 2.817 1.651 3.220 1.00 0.00 H new ATOM 0 HA CYS A 73 3.671 -0.669 4.551 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.126 1.486 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.917 0.034 3.561 1.00 0.00 H new ATOM 0 HG CYS A 73 4.899 0.137 0.701 1.00 0.00 H new ATOM 483 N ARG A 74 4.684 2.186 5.845 1.00 0.00 N ATOM 484 CA ARG A 74 5.292 2.792 7.023 1.00 0.00 C ATOM 485 C ARG A 74 4.555 2.369 8.286 1.00 0.00 C ATOM 486 O ARG A 74 5.165 2.165 9.336 1.00 0.00 O ATOM 487 CB ARG A 74 5.287 4.318 6.901 1.00 0.00 C ATOM 488 CG ARG A 74 6.284 5.005 7.819 1.00 0.00 C ATOM 489 CD ARG A 74 5.677 5.301 9.182 1.00 0.00 C ATOM 490 NE ARG A 74 4.542 6.216 9.089 1.00 0.00 N ATOM 491 CZ ARG A 74 4.000 6.833 10.137 1.00 0.00 C ATOM 492 NH1 ARG A 74 4.487 6.637 11.356 1.00 0.00 N ATOM 493 NH2 ARG A 74 2.970 7.650 9.965 1.00 0.00 N ATOM 0 H ARG A 74 4.306 2.855 5.174 1.00 0.00 H new ATOM 0 HA ARG A 74 6.324 2.446 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.507 4.592 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.286 4.689 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.163 4.372 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.621 5.935 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.354 4.369 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.438 5.733 9.832 1.00 0.00 H new ATOM 0 HE ARG A 74 4.141 6.392 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.281 6.011 11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.068 7.112 12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.593 7.806 9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.555 8.123 10.768 1.00 0.00 H new ATOM 507 N ALA A 75 3.239 2.234 8.175 1.00 0.00 N ATOM 508 CA ALA A 75 2.418 1.829 9.307 1.00 0.00 C ATOM 509 C ALA A 75 2.653 0.363 9.642 1.00 0.00 C ATOM 510 O ALA A 75 2.807 -0.003 10.807 1.00 0.00 O ATOM 511 CB ALA A 75 0.947 2.078 9.010 1.00 0.00 C ATOM 0 H ALA A 75 2.719 2.399 7.313 1.00 0.00 H new ATOM 0 HA ALA A 75 2.704 2.428 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.346 1.770 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.789 3.139 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.651 1.503 8.133 1.00 0.00 H new ATOM 517 N TYR A 76 2.683 -0.474 8.609 1.00 0.00 N ATOM 518 CA TYR A 76 2.904 -1.904 8.794 1.00 0.00 C ATOM 519 C TYR A 76 4.394 -2.250 8.775 1.00 0.00 C ATOM 520 O TYR A 76 4.764 -3.424 8.737 1.00 0.00 O ATOM 521 CB TYR A 76 2.165 -2.698 7.717 1.00 0.00 C ATOM 522 CG TYR A 76 0.730 -3.004 8.082 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.424 -3.682 9.255 1.00 0.00 C ATOM 524 CD2 TYR A 76 -0.316 -2.608 7.260 1.00 0.00 C ATOM 525 CE1 TYR A 76 -0.886 -3.959 9.598 1.00 0.00 C ATOM 526 CE2 TYR A 76 -1.629 -2.881 7.595 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.908 -3.556 8.765 1.00 0.00 C ATOM 528 OH TYR A 76 -3.213 -3.828 9.105 1.00 0.00 O ATOM 0 H TYR A 76 2.557 -0.188 7.638 1.00 0.00 H new ATOM 0 HA TYR A 76 2.511 -2.176 9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.184 -2.136 6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.695 -3.633 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.223 -3.998 9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.101 -2.078 6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.108 -4.488 10.513 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.432 -2.568 6.944 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.763 -3.031 8.955 1.00 0.00 H new ATOM 538 N GLY A 77 5.246 -1.227 8.807 1.00 0.00 N ATOM 539 CA GLY A 77 6.681 -1.453 8.799 1.00 0.00 C ATOM 540 C GLY A 77 7.136 -2.313 7.634 1.00 0.00 C ATOM 541 O GLY A 77 7.943 -3.226 7.807 1.00 0.00 O ATOM 0 H GLY A 77 4.967 -0.246 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.195 -0.493 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.974 -1.931 9.734 1.00 0.00 H new ATOM 545 N LEU A 78 6.619 -2.021 6.446 1.00 0.00 N ATOM 546 CA LEU A 78 6.979 -2.773 5.250 1.00 0.00 C ATOM 547 C LEU A 78 8.306 -2.284 4.678 1.00 0.00 C ATOM 548 O LEU A 78 8.945 -1.394 5.239 1.00 0.00 O ATOM 549 CB LEU A 78 5.877 -2.649 4.195 1.00 0.00 C ATOM 550 CG LEU A 78 4.877 -3.806 4.166 1.00 0.00 C ATOM 551 CD1 LEU A 78 5.568 -5.102 3.764 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.199 -3.956 5.520 1.00 0.00 C ATOM 0 H LEU A 78 5.949 -1.269 6.285 1.00 0.00 H new ATOM 0 HA LEU A 78 7.090 -3.821 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.332 -1.721 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.343 -2.566 3.213 1.00 0.00 H new ATOM 0 HG LEU A 78 4.113 -3.583 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.840 -5.913 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.005 -4.989 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.354 -5.333 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.491 -4.784 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.951 -4.156 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.669 -3.036 5.766 1.00 0.00 H new ATOM 564 N LYS A 79 8.714 -2.872 3.558 1.00 0.00 N ATOM 565 CA LYS A 79 9.965 -2.496 2.909 1.00 0.00 C ATOM 566 C LYS A 79 9.712 -1.509 1.775 1.00 0.00 C ATOM 567 O LYS A 79 10.427 -0.519 1.627 1.00 0.00 O ATOM 568 CB LYS A 79 10.680 -3.740 2.374 1.00 0.00 C ATOM 569 CG LYS A 79 12.144 -3.818 2.772 1.00 0.00 C ATOM 570 CD LYS A 79 13.036 -3.125 1.755 1.00 0.00 C ATOM 571 CE LYS A 79 14.371 -2.729 2.364 1.00 0.00 C ATOM 572 NZ LYS A 79 14.200 -1.882 3.577 1.00 0.00 N ATOM 0 H LYS A 79 8.197 -3.611 3.081 1.00 0.00 H new ATOM 0 HA LYS A 79 10.602 -2.013 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.165 -4.629 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.607 -3.752 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.281 -3.358 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.441 -4.862 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.204 -3.787 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.532 -2.238 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.932 -3.627 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.961 -2.188 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.917 -1.128 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.251 -1.457 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.313 -2.468 4.429 1.00 0.00 H new ATOM 586 N SER A 80 8.685 -1.789 0.979 1.00 0.00 N ATOM 587 CA SER A 80 8.322 -0.931 -0.147 1.00 0.00 C ATOM 588 C SER A 80 9.551 -0.535 -0.964 1.00 0.00 C ATOM 589 O SER A 80 10.616 -1.138 -0.831 1.00 0.00 O ATOM 590 CB SER A 80 7.598 0.320 0.354 1.00 0.00 C ATOM 591 OG SER A 80 8.520 1.327 0.736 1.00 0.00 O ATOM 0 H SER A 80 8.086 -2.607 1.093 1.00 0.00 H new ATOM 0 HA SER A 80 7.654 -1.496 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.942 0.702 -0.428 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.965 0.062 1.203 1.00 0.00 H new ATOM 0 HG SER A 80 9.306 0.912 1.149 1.00 0.00 H new ATOM 597 N GLY A 81 9.394 0.478 -1.812 1.00 0.00 N ATOM 598 CA GLY A 81 10.498 0.930 -2.637 1.00 0.00 C ATOM 599 C GLY A 81 10.589 2.441 -2.717 1.00 0.00 C ATOM 600 O GLY A 81 10.957 3.100 -1.744 1.00 0.00 O ATOM 0 H GLY A 81 8.523 0.992 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.431 0.535 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.385 0.523 -3.642 1.00 0.00 H new ATOM 604 N LEU A 82 10.257 2.993 -3.880 1.00 0.00 N ATOM 605 CA LEU A 82 10.310 4.439 -4.081 1.00 0.00 C ATOM 606 C LEU A 82 9.460 4.881 -5.273 1.00 0.00 C ATOM 607 O LEU A 82 8.924 5.989 -5.281 1.00 0.00 O ATOM 608 CB LEU A 82 11.757 4.892 -4.280 1.00 0.00 C ATOM 609 CG LEU A 82 12.475 4.263 -5.476 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.361 5.288 -6.168 1.00 0.00 C ATOM 611 CD2 LEU A 82 13.296 3.061 -5.031 1.00 0.00 C ATOM 0 H LEU A 82 9.949 2.464 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 82 9.900 4.908 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.769 5.976 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.321 4.663 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 82 11.724 3.923 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.863 4.822 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.750 6.119 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.106 5.659 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.800 2.625 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.038 3.378 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.638 2.317 -4.581 1.00 0.00 H new ATOM 623 N LYS A 83 9.347 4.021 -6.282 1.00 0.00 N ATOM 624 CA LYS A 83 8.570 4.344 -7.474 1.00 0.00 C ATOM 625 C LYS A 83 7.073 4.207 -7.211 1.00 0.00 C ATOM 626 O LYS A 83 6.338 5.193 -7.238 1.00 0.00 O ATOM 627 CB LYS A 83 8.984 3.439 -8.638 1.00 0.00 C ATOM 628 CG LYS A 83 9.540 4.200 -9.831 1.00 0.00 C ATOM 629 CD LYS A 83 11.028 4.467 -9.677 1.00 0.00 C ATOM 630 CE LYS A 83 11.859 3.420 -10.401 1.00 0.00 C ATOM 631 NZ LYS A 83 13.224 3.919 -10.724 1.00 0.00 N ATOM 0 H LYS A 83 9.782 3.099 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 83 8.775 5.382 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.734 2.730 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.121 2.856 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.364 3.629 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.009 5.146 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.264 5.456 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.290 4.473 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.937 2.526 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.353 3.127 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.758 3.175 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.152 4.757 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.717 4.174 -9.845 1.00 0.00 H new ATOM 645 N LYS A 84 6.623 2.980 -6.960 1.00 0.00 N ATOM 646 CA LYS A 84 5.209 2.724 -6.693 1.00 0.00 C ATOM 647 C LYS A 84 4.930 1.227 -6.599 1.00 0.00 C ATOM 648 O LYS A 84 4.548 0.724 -5.542 1.00 0.00 O ATOM 649 CB LYS A 84 4.326 3.353 -7.779 1.00 0.00 C ATOM 650 CG LYS A 84 4.904 3.255 -9.185 1.00 0.00 C ATOM 651 CD LYS A 84 4.849 4.592 -9.908 1.00 0.00 C ATOM 652 CE LYS A 84 3.681 4.653 -10.878 1.00 0.00 C ATOM 653 NZ LYS A 84 3.604 5.968 -11.573 1.00 0.00 N ATOM 0 H LYS A 84 7.214 2.149 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 84 4.967 3.182 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.350 2.868 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.164 4.403 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.937 2.912 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.350 2.509 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.760 5.398 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.781 4.753 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.781 3.857 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.751 4.473 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.794 5.969 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.483 6.725 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.481 6.129 -12.109 1.00 0.00 H new ATOM 667 N GLN A 85 5.122 0.518 -7.709 1.00 0.00 N ATOM 668 CA GLN A 85 4.890 -0.923 -7.753 1.00 0.00 C ATOM 669 C GLN A 85 5.528 -1.621 -6.556 1.00 0.00 C ATOM 670 O GLN A 85 4.993 -2.600 -6.037 1.00 0.00 O ATOM 671 CB GLN A 85 5.442 -1.507 -9.052 1.00 0.00 C ATOM 672 CG GLN A 85 4.767 -2.802 -9.473 1.00 0.00 C ATOM 673 CD GLN A 85 5.391 -3.407 -10.715 1.00 0.00 C ATOM 674 OE1 GLN A 85 6.599 -3.633 -10.770 1.00 0.00 O ATOM 675 NE2 GLN A 85 4.566 -3.674 -11.722 1.00 0.00 N ATOM 0 H GLN A 85 5.438 0.919 -8.592 1.00 0.00 H new ATOM 0 HA GLN A 85 3.814 -1.091 -7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.327 -0.772 -9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.511 -1.686 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.825 -3.520 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.709 -2.613 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.570 -3.470 -11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.928 -4.083 -12.583 1.00 0.00 H new ATOM 684 N GLU A 86 6.673 -1.110 -6.123 1.00 0.00 N ATOM 685 CA GLU A 86 7.380 -1.684 -4.985 1.00 0.00 C ATOM 686 C GLU A 86 6.507 -1.644 -3.737 1.00 0.00 C ATOM 687 O GLU A 86 6.414 -2.627 -3.002 1.00 0.00 O ATOM 688 CB GLU A 86 8.693 -0.939 -4.739 1.00 0.00 C ATOM 689 CG GLU A 86 9.923 -1.711 -5.186 1.00 0.00 C ATOM 690 CD GLU A 86 10.305 -2.813 -4.217 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.285 -2.560 -2.994 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.624 -3.927 -4.681 1.00 0.00 O ATOM 0 H GLU A 86 7.132 -0.301 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 86 7.609 -2.725 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.663 0.016 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.781 -0.716 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.738 -2.145 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.760 -1.022 -5.295 1.00 0.00 H new ATOM 699 N LEU A 87 5.853 -0.508 -3.511 1.00 0.00 N ATOM 700 CA LEU A 87 4.973 -0.359 -2.359 1.00 0.00 C ATOM 701 C LEU A 87 3.837 -1.364 -2.455 1.00 0.00 C ATOM 702 O LEU A 87 3.480 -2.014 -1.473 1.00 0.00 O ATOM 703 CB LEU A 87 4.416 1.067 -2.290 1.00 0.00 C ATOM 704 CG LEU A 87 5.475 2.177 -2.258 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.135 3.278 -3.252 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.614 2.748 -0.852 1.00 0.00 C ATOM 0 H LEU A 87 5.916 0.317 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 87 5.543 -0.547 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.767 1.229 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.793 1.155 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 87 6.431 1.741 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.900 4.054 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.095 2.860 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.167 3.710 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.370 3.533 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.659 3.164 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.913 1.956 -0.166 1.00 0.00 H new ATOM 718 N LEU A 88 3.287 -1.500 -3.658 1.00 0.00 N ATOM 719 CA LEU A 88 2.207 -2.445 -3.902 1.00 0.00 C ATOM 720 C LEU A 88 2.577 -3.822 -3.373 1.00 0.00 C ATOM 721 O LEU A 88 1.815 -4.437 -2.634 1.00 0.00 O ATOM 722 CB LEU A 88 1.899 -2.534 -5.399 1.00 0.00 C ATOM 723 CG LEU A 88 0.844 -1.554 -5.910 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.095 -1.222 -7.375 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.552 -2.131 -5.719 1.00 0.00 C ATOM 0 H LEU A 88 3.573 -0.966 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 88 1.320 -2.089 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.823 -2.369 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.569 -3.548 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 88 0.915 -0.632 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.335 -0.523 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.081 -0.770 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.048 -2.135 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.293 -1.421 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.638 -3.066 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.726 -2.319 -4.660 1.00 0.00 H new ATOM 737 N GLU A 89 3.757 -4.299 -3.760 1.00 0.00 N ATOM 738 CA GLU A 89 4.230 -5.606 -3.322 1.00 0.00 C ATOM 739 C GLU A 89 4.134 -5.745 -1.808 1.00 0.00 C ATOM 740 O GLU A 89 3.522 -6.686 -1.301 1.00 0.00 O ATOM 741 CB GLU A 89 5.672 -5.831 -3.780 1.00 0.00 C ATOM 742 CG GLU A 89 5.856 -5.725 -5.285 1.00 0.00 C ATOM 743 CD GLU A 89 6.885 -6.704 -5.817 1.00 0.00 C ATOM 744 OE1 GLU A 89 8.081 -6.346 -5.853 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.494 -7.827 -6.199 1.00 0.00 O ATOM 0 H GLU A 89 4.401 -3.800 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 89 3.591 -6.364 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.318 -5.101 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.999 -6.817 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.900 -5.904 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.160 -4.710 -5.540 1.00 0.00 H new ATOM 752 N ALA A 90 4.739 -4.805 -1.087 1.00 0.00 N ATOM 753 CA ALA A 90 4.711 -4.835 0.370 1.00 0.00 C ATOM 754 C ALA A 90 3.279 -4.894 0.885 1.00 0.00 C ATOM 755 O ALA A 90 2.967 -5.653 1.802 1.00 0.00 O ATOM 756 CB ALA A 90 5.441 -3.628 0.943 1.00 0.00 C ATOM 0 H ALA A 90 5.251 -4.018 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 90 5.225 -5.737 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.410 -3.667 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.479 -3.638 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.958 -2.714 0.599 1.00 0.00 H new ATOM 762 N LEU A 91 2.409 -4.093 0.285 1.00 0.00 N ATOM 763 CA LEU A 91 1.008 -4.066 0.678 1.00 0.00 C ATOM 764 C LEU A 91 0.320 -5.365 0.287 1.00 0.00 C ATOM 765 O LEU A 91 -0.369 -5.987 1.095 1.00 0.00 O ATOM 766 CB LEU A 91 0.300 -2.884 0.021 1.00 0.00 C ATOM 767 CG LEU A 91 0.472 -1.544 0.744 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.842 -0.447 -0.243 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.798 -1.179 1.498 1.00 0.00 C ATOM 0 H LEU A 91 2.648 -3.455 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 91 0.955 -3.955 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.670 -2.780 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.764 -3.109 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 91 1.284 -1.644 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.960 0.497 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.779 -0.704 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.053 -0.347 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.658 -0.225 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.628 -1.098 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.019 -1.952 2.234 1.00 0.00 H new ATOM 781 N THR A 92 0.516 -5.766 -0.964 1.00 0.00 N ATOM 782 CA THR A 92 -0.077 -6.987 -1.481 1.00 0.00 C ATOM 783 C THR A 92 0.242 -8.171 -0.569 1.00 0.00 C ATOM 784 O THR A 92 -0.660 -8.791 -0.011 1.00 0.00 O ATOM 785 CB THR A 92 0.413 -7.230 -2.916 1.00 0.00 C ATOM 786 OG1 THR A 92 -0.627 -6.979 -3.845 1.00 0.00 O ATOM 787 CG2 THR A 92 0.922 -8.633 -3.178 1.00 0.00 C ATOM 0 H THR A 92 1.085 -5.257 -1.640 1.00 0.00 H new ATOM 0 HA THR A 92 -1.162 -6.880 -1.502 1.00 0.00 H new ATOM 0 HB THR A 92 1.249 -6.542 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.298 -7.137 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.247 -8.714 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.762 -8.845 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.123 -9.351 -2.991 1.00 0.00 H new ATOM 795 N LYS A 93 1.530 -8.476 -0.416 1.00 0.00 N ATOM 796 CA LYS A 93 1.949 -9.582 0.440 1.00 0.00 C ATOM 797 C LYS A 93 1.269 -9.507 1.806 1.00 0.00 C ATOM 798 O LYS A 93 1.057 -10.528 2.460 1.00 0.00 O ATOM 799 CB LYS A 93 3.471 -9.592 0.605 1.00 0.00 C ATOM 800 CG LYS A 93 4.037 -8.281 1.120 1.00 0.00 C ATOM 801 CD LYS A 93 4.160 -8.286 2.636 1.00 0.00 C ATOM 802 CE LYS A 93 5.413 -9.018 3.093 1.00 0.00 C ATOM 803 NZ LYS A 93 6.327 -8.129 3.861 1.00 0.00 N ATOM 0 H LYS A 93 2.295 -7.977 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 93 1.645 -10.511 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.748 -10.392 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.930 -9.823 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.016 -8.106 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.394 -7.458 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.183 -7.260 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.281 -8.761 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.130 -9.870 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.938 -9.415 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.080 -8.699 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.750 -7.428 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.790 -7.638 4.604 1.00 0.00 H new ATOM 817 N HIS A 94 0.932 -8.291 2.233 1.00 0.00 N ATOM 818 CA HIS A 94 0.280 -8.088 3.522 1.00 0.00 C ATOM 819 C HIS A 94 -1.175 -8.552 3.486 1.00 0.00 C ATOM 820 O HIS A 94 -1.759 -8.868 4.522 1.00 0.00 O ATOM 821 CB HIS A 94 0.346 -6.614 3.922 1.00 0.00 C ATOM 822 CG HIS A 94 0.221 -6.389 5.397 1.00 0.00 C ATOM 823 ND1 HIS A 94 -0.993 -6.272 6.041 1.00 0.00 N ATOM 824 CD2 HIS A 94 1.168 -6.261 6.357 1.00 0.00 C ATOM 825 CE1 HIS A 94 -0.787 -6.080 7.332 1.00 0.00 C ATOM 826 NE2 HIS A 94 0.514 -6.070 7.550 1.00 0.00 N ATOM 0 H HIS A 94 1.100 -7.434 1.705 1.00 0.00 H new ATOM 0 HA HIS A 94 0.811 -8.686 4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.291 -6.194 3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.449 -6.071 3.411 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.237 -6.302 6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.554 -5.953 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.962 -5.941 8.457 1.00 0.00 H new ATOM 835 N PHE A 95 -1.756 -8.588 2.290 1.00 0.00 N ATOM 836 CA PHE A 95 -3.143 -9.011 2.129 1.00 0.00 C ATOM 837 C PHE A 95 -3.351 -9.707 0.785 1.00 0.00 C ATOM 838 O PHE A 95 -4.323 -9.440 0.079 1.00 0.00 O ATOM 839 CB PHE A 95 -4.079 -7.806 2.259 1.00 0.00 C ATOM 840 CG PHE A 95 -5.084 -7.954 3.366 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.822 -9.119 3.497 1.00 0.00 C ATOM 842 CD2 PHE A 95 -5.286 -6.931 4.278 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.744 -9.261 4.516 1.00 0.00 C ATOM 844 CE2 PHE A 95 -6.208 -7.067 5.299 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.938 -8.233 5.418 1.00 0.00 C ATOM 0 H PHE A 95 -1.289 -8.330 1.421 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.377 -9.726 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.484 -6.909 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.606 -7.660 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.675 -9.926 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.717 -6.017 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.312 -10.175 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.357 -6.262 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.659 -8.341 6.215 1.00 0.00 H new ATOM 855 N GLN A 96 -2.432 -10.604 0.441 1.00 0.00 N ATOM 856 CA GLN A 96 -2.514 -11.341 -0.815 1.00 0.00 C ATOM 857 C GLN A 96 -1.532 -12.509 -0.827 1.00 0.00 C ATOM 858 O GLN A 96 -0.344 -12.330 -1.092 1.00 0.00 O ATOM 859 CB GLN A 96 -2.234 -10.411 -1.997 1.00 0.00 C ATOM 860 CG GLN A 96 -3.223 -10.566 -3.141 1.00 0.00 C ATOM 861 CD GLN A 96 -2.577 -10.378 -4.500 1.00 0.00 C ATOM 862 OE1 GLN A 96 -1.621 -11.072 -4.847 1.00 0.00 O ATOM 863 NE2 GLN A 96 -3.096 -9.434 -5.276 1.00 0.00 N ATOM 0 H GLN A 96 -1.622 -10.838 1.015 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.524 -11.739 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.253 -9.378 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.228 -10.603 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.677 -11.556 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.027 -9.840 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.889 -8.883 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.702 -9.260 -6.201 1.00 0.00 H new ATOM 872 N ASP A 97 -2.037 -13.704 -0.537 1.00 0.00 N ATOM 873 CA ASP A 97 -1.205 -14.902 -0.514 1.00 0.00 C ATOM 874 C ASP A 97 -0.057 -14.750 0.479 1.00 0.00 C ATOM 875 O ASP A 97 -0.190 -13.932 1.414 1.00 0.00 O ATOM 876 CB ASP A 97 -0.651 -15.189 -1.911 1.00 0.00 C ATOM 877 CG ASP A 97 -1.579 -16.062 -2.733 1.00 0.00 C ATOM 878 OD1 ASP A 97 -2.802 -16.031 -2.480 1.00 0.00 O ATOM 879 OD2 ASP A 97 -1.083 -16.777 -3.629 1.00 0.00 O ATOM 880 OXT ASP A 97 0.964 -15.449 0.314 1.00 0.00 O ATOM 0 H ASP A 97 -3.019 -13.869 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.827 -15.739 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.485 -14.247 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.319 -15.678 -1.821 1.00 0.00 H new TER 885 ASP A 97