USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 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 73 CYS SG : rot -100:sc= 0.165 USER MOD Set 1.2: A 80 SER OG : rot -59:sc= -0.691 USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= -1.21 USER MOD Set 2.2: A 68 MET CE :methyl -139:sc= -2.03! (180deg=-3.41!) USER MOD Set 3.1: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -14:sc= 0.00262 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 55 HIS : no HD1:sc= -4.34 X(o=-4.3,f=-4.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 135:sc= -0.172 (180deg=-2.66!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -124:sc= -0.286 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0038) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-4.7!) USER MOD Single : A 96 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 44 -11.189 8.010 7.703 1.00 0.00 N ATOM 2 CA LYS A 44 -9.817 8.498 8.003 1.00 0.00 C ATOM 3 C LYS A 44 -8.844 8.127 6.889 1.00 0.00 C ATOM 4 O LYS A 44 -7.878 8.846 6.633 1.00 0.00 O ATOM 5 CB LYS A 44 -9.362 7.885 9.328 1.00 0.00 C ATOM 6 CG LYS A 44 -10.014 8.519 10.547 1.00 0.00 C ATOM 7 CD LYS A 44 -10.048 7.557 11.724 1.00 0.00 C ATOM 8 CE LYS A 44 -11.411 6.901 11.867 1.00 0.00 C ATOM 9 NZ LYS A 44 -11.350 5.669 12.701 1.00 0.00 N ATOM 0 HA LYS A 44 -9.831 9.585 8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.585 6.818 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.280 7.984 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.467 9.419 10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.029 8.828 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.286 6.789 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.803 8.093 12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.109 7.608 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.799 6.652 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.300 5.252 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.704 4.983 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.004 5.910 13.652 1.00 0.00 H new ATOM 23 N VAL A 45 -9.108 7.000 6.229 1.00 0.00 N ATOM 24 CA VAL A 45 -8.261 6.521 5.137 1.00 0.00 C ATOM 25 C VAL A 45 -6.775 6.699 5.454 1.00 0.00 C ATOM 26 O VAL A 45 -5.977 7.037 4.580 1.00 0.00 O ATOM 27 CB VAL A 45 -8.591 7.247 3.817 1.00 0.00 C ATOM 28 CG1 VAL A 45 -8.269 8.730 3.921 1.00 0.00 C ATOM 29 CG2 VAL A 45 -7.845 6.610 2.654 1.00 0.00 C ATOM 0 H VAL A 45 -9.906 6.399 6.433 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.468 5.457 5.023 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.660 7.147 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.510 9.222 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.858 9.175 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.208 8.858 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.091 7.136 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.772 6.673 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.137 5.564 2.564 1.00 0.00 H new ATOM 39 N GLU A 46 -6.415 6.467 6.713 1.00 0.00 N ATOM 40 CA GLU A 46 -5.029 6.599 7.152 1.00 0.00 C ATOM 41 C GLU A 46 -4.183 5.394 6.735 1.00 0.00 C ATOM 42 O GLU A 46 -3.005 5.308 7.082 1.00 0.00 O ATOM 43 CB GLU A 46 -4.971 6.773 8.671 1.00 0.00 C ATOM 44 CG GLU A 46 -3.968 7.821 9.126 1.00 0.00 C ATOM 45 CD GLU A 46 -3.141 7.361 10.311 1.00 0.00 C ATOM 46 OE1 GLU A 46 -3.672 7.361 11.441 1.00 0.00 O ATOM 47 OE2 GLU A 46 -1.963 7.000 10.108 1.00 0.00 O ATOM 0 H GLU A 46 -7.064 6.186 7.448 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.614 7.483 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.961 7.048 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.717 5.817 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.304 8.067 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.499 8.736 9.391 1.00 0.00 H new ATOM 54 N TYR A 47 -4.783 4.462 5.994 1.00 0.00 N ATOM 55 CA TYR A 47 -4.077 3.267 5.540 1.00 0.00 C ATOM 56 C TYR A 47 -3.803 2.325 6.705 1.00 0.00 C ATOM 57 O TYR A 47 -2.706 1.781 6.836 1.00 0.00 O ATOM 58 CB TYR A 47 -2.763 3.646 4.854 1.00 0.00 C ATOM 59 CG TYR A 47 -2.902 4.770 3.852 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.443 4.541 2.594 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.490 6.059 4.166 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.570 5.566 1.675 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.615 7.089 3.253 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.155 6.837 2.010 1.00 0.00 C ATOM 65 OH TYR A 47 -3.281 7.861 1.099 1.00 0.00 O ATOM 0 H TYR A 47 -5.757 4.513 5.696 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.714 2.753 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.037 3.936 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.361 2.768 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.770 3.546 2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.065 6.259 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.992 5.372 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.291 8.086 3.512 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.469 7.489 0.212 1.00 0.00 H new ATOM 75 N SER A 48 -4.812 2.131 7.544 1.00 0.00 N ATOM 76 CA SER A 48 -4.688 1.246 8.694 1.00 0.00 C ATOM 77 C SER A 48 -4.650 -0.206 8.242 1.00 0.00 C ATOM 78 O SER A 48 -3.863 -1.006 8.746 1.00 0.00 O ATOM 79 CB SER A 48 -5.851 1.463 9.663 1.00 0.00 C ATOM 80 OG SER A 48 -7.019 1.876 8.975 1.00 0.00 O ATOM 0 H SER A 48 -5.726 2.575 7.449 1.00 0.00 H new ATOM 0 HA SER A 48 -3.756 1.479 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.053 0.540 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.576 2.215 10.403 1.00 0.00 H new ATOM 0 HG SER A 48 -7.748 2.006 9.617 1.00 0.00 H new ATOM 86 N GLU A 49 -5.511 -0.531 7.280 1.00 0.00 N ATOM 87 CA GLU A 49 -5.600 -1.883 6.731 1.00 0.00 C ATOM 88 C GLU A 49 -6.910 -2.063 5.975 1.00 0.00 C ATOM 89 O GLU A 49 -6.938 -2.645 4.892 1.00 0.00 O ATOM 90 CB GLU A 49 -5.496 -2.935 7.844 1.00 0.00 C ATOM 91 CG GLU A 49 -4.189 -3.713 7.830 1.00 0.00 C ATOM 92 CD GLU A 49 -3.468 -3.670 9.164 1.00 0.00 C ATOM 93 OE1 GLU A 49 -4.146 -3.510 10.201 1.00 0.00 O ATOM 94 OE2 GLU A 49 -2.225 -3.795 9.171 1.00 0.00 O ATOM 0 H GLU A 49 -6.164 0.131 6.861 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.766 -2.021 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.604 -2.441 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.326 -3.635 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.391 -4.751 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.537 -3.307 7.056 1.00 0.00 H new ATOM 101 N GLU A 50 -7.993 -1.561 6.556 1.00 0.00 N ATOM 102 CA GLU A 50 -9.313 -1.665 5.942 1.00 0.00 C ATOM 103 C GLU A 50 -9.315 -1.088 4.534 1.00 0.00 C ATOM 104 O GLU A 50 -9.622 -1.790 3.570 1.00 0.00 O ATOM 105 CB GLU A 50 -10.359 -0.954 6.804 1.00 0.00 C ATOM 106 CG GLU A 50 -9.887 0.383 7.362 1.00 0.00 C ATOM 107 CD GLU A 50 -10.729 1.548 6.877 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.055 1.584 5.672 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.061 2.425 7.702 1.00 0.00 O ATOM 0 H GLU A 50 -7.984 -1.077 7.454 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.567 -2.723 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.258 -0.792 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.638 -1.605 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.915 0.348 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.848 0.546 7.075 1.00 0.00 H new ATOM 116 N GLU A 51 -8.963 0.187 4.410 1.00 0.00 N ATOM 117 CA GLU A 51 -8.923 0.827 3.105 1.00 0.00 C ATOM 118 C GLU A 51 -7.953 0.079 2.207 1.00 0.00 C ATOM 119 O GLU A 51 -8.213 -0.124 1.022 1.00 0.00 O ATOM 120 CB GLU A 51 -8.506 2.294 3.237 1.00 0.00 C ATOM 121 CG GLU A 51 -9.430 3.257 2.510 1.00 0.00 C ATOM 122 CD GLU A 51 -10.843 3.234 3.057 1.00 0.00 C ATOM 123 OE1 GLU A 51 -11.033 3.622 4.230 1.00 0.00 O ATOM 124 OE2 GLU A 51 -11.761 2.829 2.314 1.00 0.00 O ATOM 0 H GLU A 51 -8.704 0.791 5.190 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.919 0.798 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.475 2.561 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.494 2.412 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.030 4.268 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.451 3.004 1.450 1.00 0.00 H new ATOM 131 N LEU A 52 -6.842 -0.353 2.793 1.00 0.00 N ATOM 132 CA LEU A 52 -5.839 -1.104 2.058 1.00 0.00 C ATOM 133 C LEU A 52 -6.442 -2.387 1.507 1.00 0.00 C ATOM 134 O LEU A 52 -6.360 -2.659 0.309 1.00 0.00 O ATOM 135 CB LEU A 52 -4.645 -1.423 2.953 1.00 0.00 C ATOM 136 CG LEU A 52 -4.051 -0.216 3.674 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.104 -0.660 4.779 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.337 0.693 2.685 1.00 0.00 C ATOM 0 H LEU A 52 -6.616 -0.195 3.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.492 -0.493 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.951 -2.159 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.867 -1.887 2.347 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.865 0.346 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.692 0.217 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.648 -1.268 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.292 -1.247 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.919 1.549 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.534 0.140 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.046 1.042 1.934 1.00 0.00 H new ATOM 150 N LYS A 53 -7.068 -3.170 2.387 1.00 0.00 N ATOM 151 CA LYS A 53 -7.701 -4.416 1.976 1.00 0.00 C ATOM 152 C LYS A 53 -8.668 -4.154 0.830 1.00 0.00 C ATOM 153 O LYS A 53 -8.643 -4.841 -0.191 1.00 0.00 O ATOM 154 CB LYS A 53 -8.437 -5.060 3.153 1.00 0.00 C ATOM 155 CG LYS A 53 -7.940 -6.457 3.488 1.00 0.00 C ATOM 156 CD LYS A 53 -7.986 -7.374 2.276 1.00 0.00 C ATOM 157 CE LYS A 53 -7.913 -8.839 2.679 1.00 0.00 C ATOM 158 NZ LYS A 53 -9.074 -9.616 2.164 1.00 0.00 N ATOM 0 H LYS A 53 -7.148 -2.962 3.382 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.927 -5.105 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.328 -4.424 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.502 -5.107 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.918 -6.400 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.550 -6.879 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.905 -7.195 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.157 -7.138 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.988 -9.274 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.879 -8.915 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.986 -10.609 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.955 -9.217 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.093 -9.565 1.125 1.00 0.00 H new ATOM 172 N THR A 54 -9.507 -3.138 1.005 1.00 0.00 N ATOM 173 CA THR A 54 -10.471 -2.764 -0.020 1.00 0.00 C ATOM 174 C THR A 54 -9.746 -2.402 -1.307 1.00 0.00 C ATOM 175 O THR A 54 -10.122 -2.840 -2.394 1.00 0.00 O ATOM 176 CB THR A 54 -11.328 -1.588 0.451 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.596 -1.686 1.838 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.657 -1.491 -0.267 1.00 0.00 C ATOM 0 H THR A 54 -9.538 -2.561 1.846 1.00 0.00 H new ATOM 0 HA THR A 54 -11.127 -3.614 -0.208 1.00 0.00 H new ATOM 0 HB THR A 54 -10.744 -0.696 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.813 -1.385 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.215 -0.636 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.485 -1.364 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.230 -2.403 -0.097 1.00 0.00 H new ATOM 186 N HIS A 55 -8.691 -1.606 -1.169 1.00 0.00 N ATOM 187 CA HIS A 55 -7.892 -1.190 -2.311 1.00 0.00 C ATOM 188 C HIS A 55 -7.307 -2.407 -3.017 1.00 0.00 C ATOM 189 O HIS A 55 -7.410 -2.540 -4.236 1.00 0.00 O ATOM 190 CB HIS A 55 -6.770 -0.252 -1.862 1.00 0.00 C ATOM 191 CG HIS A 55 -7.261 1.012 -1.229 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.447 1.620 -1.584 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.719 1.787 -0.260 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.612 2.714 -0.862 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.578 2.837 -0.051 1.00 0.00 N ATOM 0 H HIS A 55 -8.370 -1.236 -0.274 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.536 -0.655 -3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.130 -0.778 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.152 -0.000 -2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.785 1.612 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.450 3.392 -0.925 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.440 3.591 0.622 1.00 0.00 H new ATOM 204 N ILE A 56 -6.699 -3.298 -2.237 1.00 0.00 N ATOM 205 CA ILE A 56 -6.105 -4.512 -2.785 1.00 0.00 C ATOM 206 C ILE A 56 -7.132 -5.308 -3.588 1.00 0.00 C ATOM 207 O ILE A 56 -6.821 -5.849 -4.649 1.00 0.00 O ATOM 208 CB ILE A 56 -5.513 -5.406 -1.673 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.408 -4.659 -0.924 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.972 -6.705 -2.257 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.099 -5.243 0.437 1.00 0.00 C ATOM 0 H ILE A 56 -6.606 -3.201 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.296 -4.201 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.309 -5.652 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.501 -4.667 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.702 -3.616 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.560 -7.320 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.779 -7.246 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.189 -6.480 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.306 -4.663 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.994 -5.210 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.774 -6.277 0.324 1.00 0.00 H new ATOM 223 N SER A 57 -8.358 -5.375 -3.073 1.00 0.00 N ATOM 224 CA SER A 57 -9.433 -6.104 -3.739 1.00 0.00 C ATOM 225 C SER A 57 -9.599 -5.649 -5.188 1.00 0.00 C ATOM 226 O SER A 57 -9.178 -6.338 -6.117 1.00 0.00 O ATOM 227 CB SER A 57 -10.748 -5.921 -2.980 1.00 0.00 C ATOM 228 OG SER A 57 -11.830 -6.504 -3.685 1.00 0.00 O ATOM 0 H SER A 57 -8.631 -4.932 -2.195 1.00 0.00 H new ATOM 0 HA SER A 57 -9.166 -7.161 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.667 -6.374 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.939 -4.859 -2.828 1.00 0.00 H new ATOM 0 HG SER A 57 -12.659 -6.375 -3.178 1.00 0.00 H new ATOM 234 N LYS A 58 -10.223 -4.489 -5.372 1.00 0.00 N ATOM 235 CA LYS A 58 -10.452 -3.947 -6.709 1.00 0.00 C ATOM 236 C LYS A 58 -9.135 -3.693 -7.437 1.00 0.00 C ATOM 237 O LYS A 58 -8.963 -4.104 -8.584 1.00 0.00 O ATOM 238 CB LYS A 58 -11.267 -2.652 -6.630 1.00 0.00 C ATOM 239 CG LYS A 58 -10.803 -1.697 -5.540 1.00 0.00 C ATOM 240 CD LYS A 58 -11.948 -1.294 -4.622 1.00 0.00 C ATOM 241 CE LYS A 58 -12.449 0.106 -4.937 1.00 0.00 C ATOM 242 NZ LYS A 58 -11.709 1.146 -4.170 1.00 0.00 N ATOM 0 H LYS A 58 -10.579 -3.907 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.016 -4.688 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.215 -2.142 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.314 -2.903 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.015 -2.169 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.371 -0.806 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.767 -2.006 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.617 -1.338 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.343 0.298 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.512 0.172 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.080 2.087 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.831 0.978 -3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.698 1.101 -4.410 1.00 0.00 H new ATOM 256 N GLY A 59 -8.208 -3.016 -6.766 1.00 0.00 N ATOM 257 CA GLY A 59 -6.921 -2.725 -7.373 1.00 0.00 C ATOM 258 C GLY A 59 -6.657 -1.237 -7.503 1.00 0.00 C ATOM 259 O GLY A 59 -5.983 -0.800 -8.435 1.00 0.00 O ATOM 0 H GLY A 59 -8.324 -2.664 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.131 -3.179 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.877 -3.185 -8.360 1.00 0.00 H new ATOM 263 N THR A 60 -7.184 -0.457 -6.564 1.00 0.00 N ATOM 264 CA THR A 60 -6.996 0.990 -6.577 1.00 0.00 C ATOM 265 C THR A 60 -5.869 1.406 -5.636 1.00 0.00 C ATOM 266 O THR A 60 -5.479 2.571 -5.604 1.00 0.00 O ATOM 267 CB THR A 60 -8.293 1.700 -6.184 1.00 0.00 C ATOM 268 OG1 THR A 60 -9.412 1.054 -6.763 1.00 0.00 O ATOM 269 CG2 THR A 60 -8.331 3.152 -6.608 1.00 0.00 C ATOM 0 H THR A 60 -7.744 -0.802 -5.785 1.00 0.00 H new ATOM 0 HA THR A 60 -6.723 1.283 -7.591 1.00 0.00 H new ATOM 0 HB THR A 60 -8.330 1.655 -5.096 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.232 1.521 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.277 3.597 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.507 3.690 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.236 3.217 -7.692 1.00 0.00 H new ATOM 277 N LEU A 61 -5.336 0.453 -4.877 1.00 0.00 N ATOM 278 CA LEU A 61 -4.246 0.747 -3.957 1.00 0.00 C ATOM 279 C LEU A 61 -3.041 1.291 -4.719 1.00 0.00 C ATOM 280 O LEU A 61 -2.192 1.978 -4.151 1.00 0.00 O ATOM 281 CB LEU A 61 -3.851 -0.508 -3.174 1.00 0.00 C ATOM 282 CG LEU A 61 -3.472 -0.265 -1.712 1.00 0.00 C ATOM 283 CD1 LEU A 61 -3.013 -1.559 -1.057 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.388 0.798 -1.613 1.00 0.00 C ATOM 0 H LEU A 61 -5.639 -0.521 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.587 1.505 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.681 -1.214 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.009 -0.982 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.355 0.093 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.748 -1.366 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.819 -2.292 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.143 -1.947 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.130 0.958 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.504 0.468 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.752 1.730 -2.044 1.00 0.00 H new ATOM 296 N GLY A 62 -2.979 0.982 -6.014 1.00 0.00 N ATOM 297 CA GLY A 62 -1.881 1.446 -6.839 1.00 0.00 C ATOM 298 C GLY A 62 -2.164 2.781 -7.499 1.00 0.00 C ATOM 299 O GLY A 62 -1.550 3.121 -8.511 1.00 0.00 O ATOM 0 H GLY A 62 -3.673 0.417 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.984 1.532 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.672 0.703 -7.608 1.00 0.00 H new ATOM 303 N LYS A 63 -3.087 3.548 -6.924 1.00 0.00 N ATOM 304 CA LYS A 63 -3.430 4.855 -7.467 1.00 0.00 C ATOM 305 C LYS A 63 -2.549 5.928 -6.838 1.00 0.00 C ATOM 306 O LYS A 63 -1.878 6.689 -7.535 1.00 0.00 O ATOM 307 CB LYS A 63 -4.907 5.176 -7.214 1.00 0.00 C ATOM 308 CG LYS A 63 -5.710 5.388 -8.486 1.00 0.00 C ATOM 309 CD LYS A 63 -6.858 6.361 -8.264 1.00 0.00 C ATOM 310 CE LYS A 63 -7.951 6.183 -9.306 1.00 0.00 C ATOM 311 NZ LYS A 63 -9.127 5.450 -8.761 1.00 0.00 N ATOM 0 H LYS A 63 -3.607 3.287 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.260 4.837 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.354 4.362 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.975 6.073 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.056 5.768 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.103 4.432 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.276 6.211 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.482 7.383 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.269 7.161 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.551 5.640 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.002 5.931 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.129 4.476 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.073 5.431 -7.723 1.00 0.00 H new ATOM 325 N PHE A 64 -2.559 5.974 -5.508 1.00 0.00 N ATOM 326 CA PHE A 64 -1.764 6.942 -4.759 1.00 0.00 C ATOM 327 C PHE A 64 -0.313 6.963 -5.233 1.00 0.00 C ATOM 328 O PHE A 64 0.175 5.999 -5.822 1.00 0.00 O ATOM 329 CB PHE A 64 -1.813 6.618 -3.265 1.00 0.00 C ATOM 330 CG PHE A 64 -3.203 6.382 -2.748 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.037 7.449 -2.452 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.676 5.094 -2.558 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.317 7.234 -1.977 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.955 4.873 -2.082 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.776 5.945 -1.792 1.00 0.00 C ATOM 0 H PHE A 64 -3.113 5.347 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.192 7.929 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.207 5.732 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.361 7.439 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.683 8.459 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.038 4.252 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.958 8.074 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.311 3.864 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.776 5.775 -1.421 1.00 0.00 H new ATOM 345 N THR A 65 0.371 8.069 -4.961 1.00 0.00 N ATOM 346 CA THR A 65 1.769 8.225 -5.344 1.00 0.00 C ATOM 347 C THR A 65 2.670 7.384 -4.444 1.00 0.00 C ATOM 348 O THR A 65 2.192 6.538 -3.688 1.00 0.00 O ATOM 349 CB THR A 65 2.170 9.700 -5.263 1.00 0.00 C ATOM 350 OG1 THR A 65 1.942 10.212 -3.961 1.00 0.00 O ATOM 351 CG2 THR A 65 1.414 10.578 -6.236 1.00 0.00 C ATOM 0 H THR A 65 -0.023 8.874 -4.474 1.00 0.00 H new ATOM 0 HA THR A 65 1.890 7.879 -6.370 1.00 0.00 H new ATOM 0 HB THR A 65 3.229 9.725 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.206 11.155 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.745 11.611 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.605 10.241 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.346 10.516 -6.028 1.00 0.00 H new ATOM 359 N VAL A 66 3.974 7.624 -4.525 1.00 0.00 N ATOM 360 CA VAL A 66 4.937 6.892 -3.713 1.00 0.00 C ATOM 361 C VAL A 66 4.945 7.421 -2.277 1.00 0.00 C ATOM 362 O VAL A 66 4.888 6.642 -1.326 1.00 0.00 O ATOM 363 CB VAL A 66 6.357 6.981 -4.316 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.407 6.473 -3.335 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.427 6.209 -5.627 1.00 0.00 C ATOM 0 H VAL A 66 4.388 8.320 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 66 4.633 5.845 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 66 6.572 8.030 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.395 6.548 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.378 7.075 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.200 5.432 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.434 6.282 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.184 5.162 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.714 6.630 -6.336 1.00 0.00 H new ATOM 375 N PRO A 67 5.005 8.756 -2.094 1.00 0.00 N ATOM 376 CA PRO A 67 5.006 9.362 -0.759 1.00 0.00 C ATOM 377 C PRO A 67 3.846 8.861 0.093 1.00 0.00 C ATOM 378 O PRO A 67 3.971 8.710 1.309 1.00 0.00 O ATOM 379 CB PRO A 67 4.854 10.858 -1.041 1.00 0.00 C ATOM 380 CG PRO A 67 5.386 11.042 -2.419 1.00 0.00 C ATOM 381 CD PRO A 67 5.067 9.774 -3.161 1.00 0.00 C ATOM 0 HA PRO A 67 5.907 9.115 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.811 11.169 -0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.411 11.455 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.925 11.903 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.461 11.223 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.122 9.850 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.834 9.537 -3.898 1.00 0.00 H new ATOM 389 N MET A 68 2.717 8.600 -0.558 1.00 0.00 N ATOM 390 CA MET A 68 1.529 8.109 0.131 1.00 0.00 C ATOM 391 C MET A 68 1.643 6.611 0.390 1.00 0.00 C ATOM 392 O MET A 68 1.276 6.124 1.460 1.00 0.00 O ATOM 393 CB MET A 68 0.275 8.403 -0.695 1.00 0.00 C ATOM 394 CG MET A 68 -0.148 9.862 -0.660 1.00 0.00 C ATOM 395 SD MET A 68 -1.744 10.141 -1.450 1.00 0.00 S ATOM 396 CE MET A 68 -1.231 10.545 -3.118 1.00 0.00 C ATOM 0 H MET A 68 2.600 8.721 -1.564 1.00 0.00 H new ATOM 0 HA MET A 68 1.450 8.625 1.088 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.455 8.110 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.545 7.787 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.196 10.198 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.610 10.468 -1.157 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.838 11.368 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.182 10.840 -3.115 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.361 9.674 -3.760 1.00 0.00 H new ATOM 406 N LEU A 69 2.165 5.888 -0.595 1.00 0.00 N ATOM 407 CA LEU A 69 2.342 4.446 -0.479 1.00 0.00 C ATOM 408 C LEU A 69 3.267 4.114 0.686 1.00 0.00 C ATOM 409 O LEU A 69 3.013 3.181 1.447 1.00 0.00 O ATOM 410 CB LEU A 69 2.900 3.882 -1.783 1.00 0.00 C ATOM 411 CG LEU A 69 1.841 3.520 -2.827 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.449 3.485 -4.221 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.198 2.183 -2.490 1.00 0.00 C ATOM 0 H LEU A 69 2.474 6.279 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 69 1.372 3.988 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.583 4.613 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.487 2.992 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 69 1.068 4.289 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.679 3.226 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.861 4.465 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.243 2.739 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.447 1.940 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.962 1.405 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.724 2.244 -1.511 1.00 0.00 H new ATOM 425 N LYS A 70 4.334 4.896 0.828 1.00 0.00 N ATOM 426 CA LYS A 70 5.288 4.697 1.913 1.00 0.00 C ATOM 427 C LYS A 70 4.572 4.662 3.261 1.00 0.00 C ATOM 428 O LYS A 70 4.965 3.929 4.168 1.00 0.00 O ATOM 429 CB LYS A 70 6.339 5.810 1.907 1.00 0.00 C ATOM 430 CG LYS A 70 7.764 5.302 2.051 1.00 0.00 C ATOM 431 CD LYS A 70 8.407 5.058 0.696 1.00 0.00 C ATOM 432 CE LYS A 70 9.256 6.241 0.261 1.00 0.00 C ATOM 433 NZ LYS A 70 10.356 5.830 -0.655 1.00 0.00 N ATOM 0 H LYS A 70 4.559 5.672 0.206 1.00 0.00 H new ATOM 0 HA LYS A 70 5.785 3.739 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.255 6.373 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.126 6.504 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.355 6.027 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.765 4.377 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.026 4.162 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.632 4.872 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.625 6.977 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.679 6.727 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.911 6.666 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.974 5.147 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.953 5.389 -1.506 1.00 0.00 H new ATOM 447 N GLU A 71 3.515 5.462 3.378 1.00 0.00 N ATOM 448 CA GLU A 71 2.734 5.531 4.609 1.00 0.00 C ATOM 449 C GLU A 71 2.221 4.151 5.008 1.00 0.00 C ATOM 450 O GLU A 71 2.462 3.687 6.122 1.00 0.00 O ATOM 451 CB GLU A 71 1.558 6.496 4.438 1.00 0.00 C ATOM 452 CG GLU A 71 1.331 7.396 5.642 1.00 0.00 C ATOM 453 CD GLU A 71 1.578 8.860 5.332 1.00 0.00 C ATOM 454 OE1 GLU A 71 2.711 9.198 4.927 1.00 0.00 O ATOM 455 OE2 GLU A 71 0.640 9.668 5.494 1.00 0.00 O ATOM 0 H GLU A 71 3.180 6.073 2.633 1.00 0.00 H new ATOM 0 HA GLU A 71 3.385 5.899 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.732 7.116 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.652 5.921 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.308 7.271 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.989 7.084 6.453 1.00 0.00 H new ATOM 462 N ALA A 72 1.518 3.496 4.088 1.00 0.00 N ATOM 463 CA ALA A 72 0.980 2.166 4.346 1.00 0.00 C ATOM 464 C ALA A 72 2.093 1.202 4.735 1.00 0.00 C ATOM 465 O ALA A 72 1.952 0.419 5.674 1.00 0.00 O ATOM 466 CB ALA A 72 0.234 1.651 3.124 1.00 0.00 C ATOM 0 H ALA A 72 1.309 3.864 3.160 1.00 0.00 H new ATOM 0 HA ALA A 72 0.280 2.234 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.162 0.657 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.588 2.327 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.917 1.600 2.276 1.00 0.00 H new ATOM 472 N CYS A 73 3.206 1.273 4.012 1.00 0.00 N ATOM 473 CA CYS A 73 4.351 0.415 4.287 1.00 0.00 C ATOM 474 C CYS A 73 4.867 0.653 5.701 1.00 0.00 C ATOM 475 O CYS A 73 5.213 -0.289 6.413 1.00 0.00 O ATOM 476 CB CYS A 73 5.467 0.672 3.272 1.00 0.00 C ATOM 477 SG CYS A 73 5.254 -0.204 1.705 1.00 0.00 S ATOM 0 H CYS A 73 3.339 1.916 3.231 1.00 0.00 H new ATOM 0 HA CYS A 73 4.030 -0.623 4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.523 1.742 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.420 0.379 3.713 1.00 0.00 H new ATOM 0 HG CYS A 73 6.002 -1.267 1.697 1.00 0.00 H new ATOM 483 N ARG A 74 4.910 1.919 6.104 1.00 0.00 N ATOM 484 CA ARG A 74 5.376 2.282 7.436 1.00 0.00 C ATOM 485 C ARG A 74 4.478 1.665 8.504 1.00 0.00 C ATOM 486 O ARG A 74 4.948 1.258 9.566 1.00 0.00 O ATOM 487 CB ARG A 74 5.408 3.805 7.592 1.00 0.00 C ATOM 488 CG ARG A 74 6.795 4.405 7.422 1.00 0.00 C ATOM 489 CD ARG A 74 7.409 4.783 8.760 1.00 0.00 C ATOM 490 NE ARG A 74 8.811 4.382 8.851 1.00 0.00 N ATOM 491 CZ ARG A 74 9.211 3.140 9.114 1.00 0.00 C ATOM 492 NH1 ARG A 74 8.320 2.175 9.305 1.00 0.00 N ATOM 493 NH2 ARG A 74 10.505 2.863 9.183 1.00 0.00 N ATOM 0 H ARG A 74 4.627 2.711 5.526 1.00 0.00 H new ATOM 0 HA ARG A 74 6.386 1.894 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.736 4.251 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.025 4.069 8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.442 3.690 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.735 5.288 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.330 5.861 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.844 4.312 9.564 1.00 0.00 H new ATOM 0 HE ARG A 74 9.525 5.096 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.323 2.383 9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.632 1.225 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.193 3.601 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.813 1.912 9.384 1.00 0.00 H new ATOM 507 N ALA A 75 3.184 1.596 8.209 1.00 0.00 N ATOM 508 CA ALA A 75 2.217 1.025 9.138 1.00 0.00 C ATOM 509 C ALA A 75 2.272 -0.498 9.109 1.00 0.00 C ATOM 510 O ALA A 75 2.002 -1.159 10.111 1.00 0.00 O ATOM 511 CB ALA A 75 0.814 1.512 8.807 1.00 0.00 C ATOM 0 H ALA A 75 2.781 1.929 7.333 1.00 0.00 H new ATOM 0 HA ALA A 75 2.473 1.356 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.103 1.077 9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.779 2.599 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.554 1.209 7.793 1.00 0.00 H new ATOM 517 N TYR A 76 2.624 -1.048 7.951 1.00 0.00 N ATOM 518 CA TYR A 76 2.717 -2.495 7.788 1.00 0.00 C ATOM 519 C TYR A 76 4.074 -3.012 8.256 1.00 0.00 C ATOM 520 O TYR A 76 4.193 -4.154 8.702 1.00 0.00 O ATOM 521 CB TYR A 76 2.493 -2.878 6.324 1.00 0.00 C ATOM 522 CG TYR A 76 1.045 -3.149 5.980 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.025 -2.382 6.527 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.700 -4.174 5.108 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.298 -2.628 6.215 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.620 -4.426 4.791 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.615 -3.652 5.346 1.00 0.00 C ATOM 528 OH TYR A 76 -2.931 -3.902 5.033 1.00 0.00 O ATOM 0 H TYR A 76 2.849 -0.514 7.112 1.00 0.00 H new ATOM 0 HA TYR A 76 1.942 -2.954 8.402 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.864 -2.075 5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.084 -3.765 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.270 -1.580 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.477 -4.784 4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.080 -2.022 6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.871 -5.226 4.111 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.145 -4.836 5.241 1.00 0.00 H new ATOM 538 N GLY A 77 5.095 -2.168 8.150 1.00 0.00 N ATOM 539 CA GLY A 77 6.429 -2.560 8.564 1.00 0.00 C ATOM 540 C GLY A 77 7.179 -3.307 7.479 1.00 0.00 C ATOM 541 O GLY A 77 8.098 -4.074 7.766 1.00 0.00 O ATOM 0 H GLY A 77 5.022 -1.219 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.994 -1.671 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.360 -3.189 9.452 1.00 0.00 H new ATOM 545 N LEU A 78 6.787 -3.083 6.228 1.00 0.00 N ATOM 546 CA LEU A 78 7.428 -3.741 5.095 1.00 0.00 C ATOM 547 C LEU A 78 8.721 -3.026 4.712 1.00 0.00 C ATOM 548 O LEU A 78 9.188 -2.141 5.429 1.00 0.00 O ATOM 549 CB LEU A 78 6.477 -3.781 3.898 1.00 0.00 C ATOM 550 CG LEU A 78 5.069 -4.296 4.207 1.00 0.00 C ATOM 551 CD1 LEU A 78 4.036 -3.588 3.342 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.999 -5.803 4.004 1.00 0.00 C ATOM 0 H LEU A 78 6.028 -2.451 5.974 1.00 0.00 H new ATOM 0 HA LEU A 78 7.673 -4.762 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.397 -2.776 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.917 -4.411 3.125 1.00 0.00 H new ATOM 0 HG LEU A 78 4.844 -4.078 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.042 -3.969 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.070 -2.516 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.255 -3.771 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.992 -6.154 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.245 -6.043 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.710 -6.293 4.669 1.00 0.00 H new ATOM 564 N LYS A 79 9.295 -3.417 3.579 1.00 0.00 N ATOM 565 CA LYS A 79 10.534 -2.813 3.102 1.00 0.00 C ATOM 566 C LYS A 79 10.247 -1.722 2.076 1.00 0.00 C ATOM 567 O LYS A 79 10.919 -0.692 2.046 1.00 0.00 O ATOM 568 CB LYS A 79 11.442 -3.880 2.487 1.00 0.00 C ATOM 569 CG LYS A 79 12.924 -3.557 2.600 1.00 0.00 C ATOM 570 CD LYS A 79 13.586 -3.474 1.233 1.00 0.00 C ATOM 571 CE LYS A 79 15.054 -3.861 1.301 1.00 0.00 C ATOM 572 NZ LYS A 79 15.859 -3.172 0.255 1.00 0.00 N ATOM 0 H LYS A 79 8.922 -4.149 2.974 1.00 0.00 H new ATOM 0 HA LYS A 79 11.041 -2.361 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.249 -4.835 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.184 -4.002 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.051 -2.610 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.419 -4.322 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.067 -4.132 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.494 -2.460 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.450 -3.613 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.151 -4.940 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.854 -3.463 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.498 -3.429 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.788 -2.143 0.384 1.00 0.00 H new ATOM 586 N SER A 80 9.244 -1.958 1.237 1.00 0.00 N ATOM 587 CA SER A 80 8.862 -0.998 0.207 1.00 0.00 C ATOM 588 C SER A 80 9.946 -0.887 -0.861 1.00 0.00 C ATOM 589 O SER A 80 11.002 -1.510 -0.754 1.00 0.00 O ATOM 590 CB SER A 80 8.595 0.376 0.826 1.00 0.00 C ATOM 591 OG SER A 80 8.129 0.254 2.159 1.00 0.00 O ATOM 0 H SER A 80 8.680 -2.808 1.250 1.00 0.00 H new ATOM 0 HA SER A 80 7.947 -1.357 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.509 0.969 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.858 0.911 0.227 1.00 0.00 H new ATOM 0 HG SER A 80 7.305 -0.277 2.170 1.00 0.00 H new ATOM 597 N GLY A 81 9.676 -0.091 -1.891 1.00 0.00 N ATOM 598 CA GLY A 81 10.639 0.087 -2.962 1.00 0.00 C ATOM 599 C GLY A 81 10.757 1.533 -3.401 1.00 0.00 C ATOM 600 O GLY A 81 9.776 2.276 -3.382 1.00 0.00 O ATOM 0 H GLY A 81 8.808 0.433 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.615 -0.270 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.347 -0.526 -3.815 1.00 0.00 H new ATOM 604 N LEU A 82 11.961 1.933 -3.797 1.00 0.00 N ATOM 605 CA LEU A 82 12.204 3.300 -4.241 1.00 0.00 C ATOM 606 C LEU A 82 11.765 3.491 -5.691 1.00 0.00 C ATOM 607 O LEU A 82 12.589 3.733 -6.573 1.00 0.00 O ATOM 608 CB LEU A 82 13.686 3.650 -4.091 1.00 0.00 C ATOM 609 CG LEU A 82 14.217 3.611 -2.654 1.00 0.00 C ATOM 610 CD1 LEU A 82 15.279 2.532 -2.503 1.00 0.00 C ATOM 611 CD2 LEU A 82 14.776 4.969 -2.252 1.00 0.00 C ATOM 0 H LEU A 82 12.783 1.330 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 82 11.615 3.969 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.271 2.958 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.851 4.648 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 82 13.387 3.370 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.643 2.521 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.848 1.561 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.108 2.740 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.148 4.921 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.592 5.240 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.989 5.720 -2.317 1.00 0.00 H new ATOM 623 N LYS A 83 10.462 3.380 -5.931 1.00 0.00 N ATOM 624 CA LYS A 83 9.917 3.542 -7.273 1.00 0.00 C ATOM 625 C LYS A 83 8.439 3.921 -7.222 1.00 0.00 C ATOM 626 O LYS A 83 8.077 5.067 -7.485 1.00 0.00 O ATOM 627 CB LYS A 83 10.102 2.254 -8.077 1.00 0.00 C ATOM 628 CG LYS A 83 10.516 2.490 -9.521 1.00 0.00 C ATOM 629 CD LYS A 83 12.013 2.728 -9.642 1.00 0.00 C ATOM 630 CE LYS A 83 12.322 3.837 -10.635 1.00 0.00 C ATOM 631 NZ LYS A 83 13.783 4.106 -10.732 1.00 0.00 N ATOM 0 H LYS A 83 9.765 3.179 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 83 10.459 4.350 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.855 1.636 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.169 1.690 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.234 1.629 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.977 3.350 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.421 2.988 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.504 1.808 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.938 3.562 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.805 4.748 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.951 4.868 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.146 4.393 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.275 3.244 -11.044 1.00 0.00 H new ATOM 645 N LYS A 84 7.590 2.952 -6.879 1.00 0.00 N ATOM 646 CA LYS A 84 6.147 3.177 -6.788 1.00 0.00 C ATOM 647 C LYS A 84 5.404 1.849 -6.648 1.00 0.00 C ATOM 648 O LYS A 84 5.078 1.425 -5.539 1.00 0.00 O ATOM 649 CB LYS A 84 5.636 3.943 -8.019 1.00 0.00 C ATOM 650 CG LYS A 84 4.119 4.008 -8.118 1.00 0.00 C ATOM 651 CD LYS A 84 3.671 5.062 -9.116 1.00 0.00 C ATOM 652 CE LYS A 84 2.245 5.514 -8.846 1.00 0.00 C ATOM 653 NZ LYS A 84 1.246 4.548 -9.381 1.00 0.00 N ATOM 0 H LYS A 84 7.879 1.999 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 84 5.954 3.780 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.033 4.958 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.029 3.469 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.731 3.034 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.699 4.232 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.341 5.920 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.741 4.661 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.098 5.631 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.082 6.492 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.286 4.892 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.369 4.455 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.384 3.621 -8.931 1.00 0.00 H new ATOM 667 N GLN A 85 5.142 1.194 -7.778 1.00 0.00 N ATOM 668 CA GLN A 85 4.440 -0.087 -7.781 1.00 0.00 C ATOM 669 C GLN A 85 5.029 -1.040 -6.746 1.00 0.00 C ATOM 670 O GLN A 85 4.319 -1.867 -6.174 1.00 0.00 O ATOM 671 CB GLN A 85 4.504 -0.722 -9.170 1.00 0.00 C ATOM 672 CG GLN A 85 3.307 -1.603 -9.492 1.00 0.00 C ATOM 673 CD GLN A 85 3.204 -1.928 -10.970 1.00 0.00 C ATOM 674 OE1 GLN A 85 2.979 -1.045 -11.797 1.00 0.00 O ATOM 675 NE2 GLN A 85 3.368 -3.202 -11.308 1.00 0.00 N ATOM 0 H GLN A 85 5.406 1.530 -8.704 1.00 0.00 H new ATOM 0 HA GLN A 85 3.398 0.100 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.575 0.067 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.414 -1.317 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.380 -2.530 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.394 -1.102 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.553 -3.901 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.309 -3.482 -12.287 1.00 0.00 H new ATOM 684 N GLU A 86 6.331 -0.918 -6.509 1.00 0.00 N ATOM 685 CA GLU A 86 7.015 -1.768 -5.540 1.00 0.00 C ATOM 686 C GLU A 86 6.298 -1.736 -4.194 1.00 0.00 C ATOM 687 O GLU A 86 6.204 -2.752 -3.505 1.00 0.00 O ATOM 688 CB GLU A 86 8.468 -1.321 -5.371 1.00 0.00 C ATOM 689 CG GLU A 86 9.422 -2.459 -5.046 1.00 0.00 C ATOM 690 CD GLU A 86 9.349 -3.588 -6.055 1.00 0.00 C ATOM 691 OE1 GLU A 86 9.219 -3.298 -7.262 1.00 0.00 O ATOM 692 OE2 GLU A 86 9.421 -4.763 -5.637 1.00 0.00 O ATOM 0 H GLU A 86 6.934 -0.239 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 86 7.002 -2.791 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.798 -0.832 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.520 -0.577 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.441 -2.074 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.193 -2.848 -4.054 1.00 0.00 H new ATOM 699 N LEU A 87 5.779 -0.567 -3.835 1.00 0.00 N ATOM 700 CA LEU A 87 5.054 -0.408 -2.582 1.00 0.00 C ATOM 701 C LEU A 87 3.817 -1.292 -2.588 1.00 0.00 C ATOM 702 O LEU A 87 3.556 -2.022 -1.632 1.00 0.00 O ATOM 703 CB LEU A 87 4.660 1.060 -2.379 1.00 0.00 C ATOM 704 CG LEU A 87 5.838 2.023 -2.189 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.771 3.164 -3.193 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.863 2.564 -0.767 1.00 0.00 C ATOM 0 H LEU A 87 5.847 0.283 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 87 5.700 -0.709 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.077 1.387 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.008 1.129 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 87 6.761 1.469 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.617 3.834 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.807 2.761 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.841 3.716 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.706 3.245 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.934 3.098 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.967 1.737 -0.065 1.00 0.00 H new ATOM 718 N LEU A 88 3.070 -1.236 -3.685 1.00 0.00 N ATOM 719 CA LEU A 88 1.871 -2.048 -3.832 1.00 0.00 C ATOM 720 C LEU A 88 2.180 -3.507 -3.529 1.00 0.00 C ATOM 721 O LEU A 88 1.501 -4.143 -2.725 1.00 0.00 O ATOM 722 CB LEU A 88 1.304 -1.913 -5.246 1.00 0.00 C ATOM 723 CG LEU A 88 0.500 -0.638 -5.495 1.00 0.00 C ATOM 724 CD1 LEU A 88 -0.712 -0.588 -4.577 1.00 0.00 C ATOM 725 CD2 LEU A 88 1.380 0.589 -5.298 1.00 0.00 C ATOM 0 H LEU A 88 3.275 -0.637 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 88 1.125 -1.692 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.128 -1.951 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.667 -2.773 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 88 0.146 -0.643 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.274 0.326 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.349 -1.452 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.382 -0.602 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.794 1.490 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.761 0.603 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.216 0.554 -5.997 1.00 0.00 H new ATOM 737 N GLU A 89 3.219 -4.030 -4.175 1.00 0.00 N ATOM 738 CA GLU A 89 3.629 -5.414 -3.970 1.00 0.00 C ATOM 739 C GLU A 89 3.796 -5.715 -2.486 1.00 0.00 C ATOM 740 O GLU A 89 3.205 -6.663 -1.967 1.00 0.00 O ATOM 741 CB GLU A 89 4.933 -5.702 -4.716 1.00 0.00 C ATOM 742 CG GLU A 89 4.961 -7.067 -5.387 1.00 0.00 C ATOM 743 CD GLU A 89 4.984 -6.973 -6.900 1.00 0.00 C ATOM 744 OE1 GLU A 89 5.978 -6.450 -7.447 1.00 0.00 O ATOM 745 OE2 GLU A 89 4.010 -7.424 -7.537 1.00 0.00 O ATOM 0 H GLU A 89 3.791 -3.515 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 89 2.847 -6.061 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.088 -4.932 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.765 -5.633 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.839 -7.617 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.087 -7.639 -5.076 1.00 0.00 H new ATOM 752 N ALA A 90 4.592 -4.897 -1.799 1.00 0.00 N ATOM 753 CA ALA A 90 4.813 -5.083 -0.371 1.00 0.00 C ATOM 754 C ALA A 90 3.479 -5.159 0.360 1.00 0.00 C ATOM 755 O ALA A 90 3.272 -6.017 1.219 1.00 0.00 O ATOM 756 CB ALA A 90 5.666 -3.955 0.188 1.00 0.00 C ATOM 0 H ALA A 90 5.090 -4.106 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 90 5.347 -6.021 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.821 -4.111 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.630 -3.942 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.159 -3.003 0.030 1.00 0.00 H new ATOM 762 N LEU A 91 2.574 -4.260 -0.006 1.00 0.00 N ATOM 763 CA LEU A 91 1.247 -4.218 0.592 1.00 0.00 C ATOM 764 C LEU A 91 0.457 -5.467 0.235 1.00 0.00 C ATOM 765 O LEU A 91 0.000 -6.200 1.111 1.00 0.00 O ATOM 766 CB LEU A 91 0.490 -2.985 0.105 1.00 0.00 C ATOM 767 CG LEU A 91 0.801 -1.691 0.862 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.829 -0.508 -0.093 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.219 -1.463 1.968 1.00 0.00 C ATOM 0 H LEU A 91 2.737 -3.547 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 91 1.364 -4.170 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.715 -2.833 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.580 -3.182 0.178 1.00 0.00 H new ATOM 0 HG LEU A 91 1.786 -1.786 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.051 0.403 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.598 -0.669 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.142 -0.409 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.017 -0.539 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.216 -1.388 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.190 -2.298 2.668 1.00 0.00 H new ATOM 781 N THR A 92 0.304 -5.702 -1.064 1.00 0.00 N ATOM 782 CA THR A 92 -0.427 -6.861 -1.552 1.00 0.00 C ATOM 783 C THR A 92 0.068 -8.130 -0.863 1.00 0.00 C ATOM 784 O THR A 92 -0.710 -8.861 -0.253 1.00 0.00 O ATOM 785 CB THR A 92 -0.273 -6.959 -3.074 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.294 -6.225 -3.725 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.318 -8.373 -3.612 1.00 0.00 C ATOM 0 H THR A 92 0.679 -5.102 -1.798 1.00 0.00 H new ATOM 0 HA THR A 92 -1.485 -6.749 -1.317 1.00 0.00 H new ATOM 0 HB THR A 92 0.716 -6.550 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.180 -6.297 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.202 -8.354 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.490 -8.956 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.275 -8.829 -3.358 1.00 0.00 H new ATOM 795 N LYS A 93 1.370 -8.379 -0.960 1.00 0.00 N ATOM 796 CA LYS A 93 1.976 -9.551 -0.337 1.00 0.00 C ATOM 797 C LYS A 93 1.537 -9.692 1.120 1.00 0.00 C ATOM 798 O LYS A 93 1.373 -10.804 1.622 1.00 0.00 O ATOM 799 CB LYS A 93 3.501 -9.465 -0.418 1.00 0.00 C ATOM 800 CG LYS A 93 4.089 -10.205 -1.610 1.00 0.00 C ATOM 801 CD LYS A 93 4.022 -11.713 -1.420 1.00 0.00 C ATOM 802 CE LYS A 93 5.348 -12.377 -1.754 1.00 0.00 C ATOM 803 NZ LYS A 93 5.511 -12.587 -3.218 1.00 0.00 N ATOM 0 H LYS A 93 2.027 -7.784 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 93 1.638 -10.433 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.795 -8.417 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.929 -9.871 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.548 -9.927 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.126 -9.901 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.751 -11.939 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.237 -12.126 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.166 -11.760 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.413 -13.336 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.428 -13.042 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.745 -13.196 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.475 -11.670 -3.706 1.00 0.00 H new ATOM 817 N HIS A 94 1.360 -8.559 1.797 1.00 0.00 N ATOM 818 CA HIS A 94 0.952 -8.564 3.199 1.00 0.00 C ATOM 819 C HIS A 94 -0.549 -8.809 3.353 1.00 0.00 C ATOM 820 O HIS A 94 -1.053 -8.908 4.472 1.00 0.00 O ATOM 821 CB HIS A 94 1.333 -7.241 3.865 1.00 0.00 C ATOM 822 CG HIS A 94 1.494 -7.346 5.350 1.00 0.00 C ATOM 823 ND1 HIS A 94 0.872 -8.315 6.108 1.00 0.00 N ATOM 824 CD2 HIS A 94 2.212 -6.596 6.220 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.200 -8.157 7.378 1.00 0.00 C ATOM 826 NE2 HIS A 94 2.012 -7.121 7.472 1.00 0.00 N ATOM 0 H HIS A 94 1.492 -7.629 1.399 1.00 0.00 H new ATOM 0 HA HIS A 94 1.477 -9.384 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.265 -6.880 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.568 -6.497 3.642 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.255 -9.041 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.827 -5.743 5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.861 -8.771 8.199 1.00 0.00 H new ATOM 835 N PHE A 95 -1.262 -8.909 2.234 1.00 0.00 N ATOM 836 CA PHE A 95 -2.702 -9.144 2.271 1.00 0.00 C ATOM 837 C PHE A 95 -3.154 -9.955 1.059 1.00 0.00 C ATOM 838 O PHE A 95 -4.299 -9.843 0.620 1.00 0.00 O ATOM 839 CB PHE A 95 -3.456 -7.813 2.321 1.00 0.00 C ATOM 840 CG PHE A 95 -4.300 -7.655 3.553 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.081 -8.701 4.017 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.305 -6.459 4.252 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.851 -8.557 5.156 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.074 -6.308 5.390 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.848 -7.359 5.843 1.00 0.00 C ATOM 0 H PHE A 95 -0.869 -8.831 1.296 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.929 -9.716 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.738 -6.994 2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.092 -7.730 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.088 -9.640 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.701 -5.635 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.454 -9.381 5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.070 -5.370 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.449 -7.244 6.733 1.00 0.00 H new ATOM 855 N GLN A 96 -2.251 -10.770 0.522 1.00 0.00 N ATOM 856 CA GLN A 96 -2.564 -11.594 -0.639 1.00 0.00 C ATOM 857 C GLN A 96 -1.490 -12.654 -0.862 1.00 0.00 C ATOM 858 O GLN A 96 -0.305 -12.338 -0.966 1.00 0.00 O ATOM 859 CB GLN A 96 -2.705 -10.720 -1.888 1.00 0.00 C ATOM 860 CG GLN A 96 -3.921 -11.057 -2.734 1.00 0.00 C ATOM 861 CD GLN A 96 -3.731 -12.321 -3.550 1.00 0.00 C ATOM 862 OE1 GLN A 96 -3.772 -13.430 -3.018 1.00 0.00 O ATOM 863 NE2 GLN A 96 -3.521 -12.158 -4.851 1.00 0.00 N ATOM 0 H GLN A 96 -1.299 -10.877 0.872 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.511 -12.099 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.763 -9.675 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.808 -10.826 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.789 -11.175 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.135 -10.225 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.495 -11.220 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.386 -12.971 -5.452 1.00 0.00 H new ATOM 872 N ASP A 97 -1.913 -13.912 -0.933 1.00 0.00 N ATOM 873 CA ASP A 97 -0.988 -15.019 -1.142 1.00 0.00 C ATOM 874 C ASP A 97 -0.625 -15.154 -2.618 1.00 0.00 C ATOM 875 O ASP A 97 0.521 -14.813 -2.978 1.00 0.00 O ATOM 876 CB ASP A 97 -1.600 -16.326 -0.635 1.00 0.00 C ATOM 877 CG ASP A 97 -2.190 -16.187 0.755 1.00 0.00 C ATOM 878 OD1 ASP A 97 -1.467 -15.729 1.664 1.00 0.00 O ATOM 879 OD2 ASP A 97 -3.376 -16.537 0.934 1.00 0.00 O ATOM 880 OXT ASP A 97 -1.491 -15.599 -3.401 1.00 0.00 O ATOM 0 H ASP A 97 -2.891 -14.190 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.078 -14.809 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.378 -16.652 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.835 -17.103 -0.626 1.00 0.00 H new TER 885 ASP A 97