USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 100 SER OG : rot 180:sc= 0.0951 USER MOD Set 1.2: A 120 LYS NZ :NH3+ -108:sc= 0.0946 (180deg=0) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= -0.0781 USER MOD Set 2.2: A 93 MET CE :methyl -159:sc= -0.384 (180deg=-1.36!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -49:sc= 0.548 USER MOD Single : A 60 SER OG : rot -57:sc= 0.0223 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -119:sc= -1.57! (180deg=-3.87!) USER MOD Single : A 70 HIS : no HD1:sc= -0.932 K(o=-0.93,f=-4.6!) USER MOD Single : A 77 LYS NZ :NH3+ 136:sc= -0.424 (180deg=-1.98!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 90 MET CE :methyl 146:sc= -5.06! (180deg=-6.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot -49:sc= 0.507 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 62:sc= 1.09 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 20:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -6.200 13.150 12.566 1.00 0.00 N ATOM 2 CA GLY A 56 -6.647 11.852 13.035 1.00 0.00 C ATOM 3 C GLY A 56 -7.192 10.987 11.916 1.00 0.00 C ATOM 4 O GLY A 56 -7.733 11.497 10.935 1.00 0.00 O ATOM 0 HA2 GLY A 56 -5.815 11.337 13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.418 11.989 13.793 1.00 0.00 H new ATOM 8 N SER A 57 -7.047 9.673 12.061 1.00 0.00 N ATOM 9 CA SER A 57 -7.524 8.736 11.051 1.00 0.00 C ATOM 10 C SER A 57 -8.931 8.247 11.385 1.00 0.00 C ATOM 11 O SER A 57 -9.230 7.059 11.270 1.00 0.00 O ATOM 12 CB SER A 57 -6.571 7.544 10.941 1.00 0.00 C ATOM 13 OG SER A 57 -6.481 6.847 12.171 1.00 0.00 O ATOM 0 H SER A 57 -6.603 9.234 12.868 1.00 0.00 H new ATOM 0 HA SER A 57 -7.556 9.257 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.919 6.867 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.582 7.892 10.643 1.00 0.00 H new ATOM 0 HG SER A 57 -5.867 6.089 12.073 1.00 0.00 H new ATOM 19 N SER A 58 -9.790 9.173 11.798 1.00 0.00 N ATOM 20 CA SER A 58 -11.164 8.838 12.152 1.00 0.00 C ATOM 21 C SER A 58 -12.144 9.426 11.141 1.00 0.00 C ATOM 22 O SER A 58 -13.308 9.670 11.458 1.00 0.00 O ATOM 23 CB SER A 58 -11.491 9.351 13.555 1.00 0.00 C ATOM 24 OG SER A 58 -12.734 8.844 14.007 1.00 0.00 O ATOM 0 H SER A 58 -9.559 10.162 11.896 1.00 0.00 H new ATOM 0 HA SER A 58 -11.263 7.753 12.138 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.702 9.056 14.246 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.520 10.441 13.550 1.00 0.00 H new ATOM 0 HG SER A 58 -13.415 8.982 13.316 1.00 0.00 H new ATOM 30 N GLY A 59 -11.664 9.651 9.922 1.00 0.00 N ATOM 31 CA GLY A 59 -12.510 10.209 8.883 1.00 0.00 C ATOM 32 C GLY A 59 -12.742 9.239 7.742 1.00 0.00 C ATOM 33 O GLY A 59 -13.085 8.078 7.964 1.00 0.00 O ATOM 0 H GLY A 59 -10.705 9.457 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.470 10.494 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.052 11.119 8.495 1.00 0.00 H new ATOM 37 N SER A 60 -12.556 9.716 6.515 1.00 0.00 N ATOM 38 CA SER A 60 -12.753 8.885 5.333 1.00 0.00 C ATOM 39 C SER A 60 -11.485 8.104 5.001 1.00 0.00 C ATOM 40 O SER A 60 -11.018 8.112 3.862 1.00 0.00 O ATOM 41 CB SER A 60 -13.161 9.748 4.138 1.00 0.00 C ATOM 42 OG SER A 60 -13.730 8.957 3.109 1.00 0.00 O ATOM 0 H SER A 60 -12.269 10.674 6.314 1.00 0.00 H new ATOM 0 HA SER A 60 -13.551 8.175 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.878 10.504 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.290 10.278 3.754 1.00 0.00 H new ATOM 0 HG SER A 60 -13.092 8.264 2.839 1.00 0.00 H new ATOM 48 N SER A 61 -10.932 7.430 6.005 1.00 0.00 N ATOM 49 CA SER A 61 -9.716 6.647 5.822 1.00 0.00 C ATOM 50 C SER A 61 -9.877 5.248 6.409 1.00 0.00 C ATOM 51 O SER A 61 -10.768 5.003 7.222 1.00 0.00 O ATOM 52 CB SER A 61 -8.526 7.353 6.476 1.00 0.00 C ATOM 53 OG SER A 61 -8.560 7.209 7.885 1.00 0.00 O ATOM 0 H SER A 61 -11.307 7.411 6.953 1.00 0.00 H new ATOM 0 HA SER A 61 -9.531 6.554 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.595 6.940 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.538 8.411 6.215 1.00 0.00 H new ATOM 0 HG SER A 61 -7.789 7.667 8.279 1.00 0.00 H new ATOM 59 N GLY A 62 -9.007 4.334 5.991 1.00 0.00 N ATOM 60 CA GLY A 62 -9.069 2.970 6.485 1.00 0.00 C ATOM 61 C GLY A 62 -9.922 2.075 5.608 1.00 0.00 C ATOM 62 O GLY A 62 -10.646 1.215 6.108 1.00 0.00 O ATOM 0 H GLY A 62 -8.260 4.513 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.060 2.562 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.471 2.971 7.498 1.00 0.00 H new ATOM 66 N GLU A 63 -9.837 2.278 4.297 1.00 0.00 N ATOM 67 CA GLU A 63 -10.610 1.482 3.350 1.00 0.00 C ATOM 68 C GLU A 63 -10.287 -0.002 3.495 1.00 0.00 C ATOM 69 O GLU A 63 -9.451 -0.390 4.311 1.00 0.00 O ATOM 70 CB GLU A 63 -10.329 1.940 1.917 1.00 0.00 C ATOM 71 CG GLU A 63 -8.853 1.938 1.557 1.00 0.00 C ATOM 72 CD GLU A 63 -8.500 3.006 0.539 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.316 3.245 -0.376 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.409 3.601 0.657 1.00 0.00 O ATOM 0 H GLU A 63 -9.242 2.986 3.867 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.668 1.628 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.864 1.290 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.726 2.946 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.262 2.092 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.581 0.960 1.161 1.00 0.00 H new ATOM 81 N LYS A 64 -10.955 -0.827 2.697 1.00 0.00 N ATOM 82 CA LYS A 64 -10.741 -2.269 2.734 1.00 0.00 C ATOM 83 C LYS A 64 -9.472 -2.650 1.976 1.00 0.00 C ATOM 84 O LYS A 64 -9.228 -3.826 1.705 1.00 0.00 O ATOM 85 CB LYS A 64 -11.944 -3.000 2.135 1.00 0.00 C ATOM 86 CG LYS A 64 -13.280 -2.502 2.657 1.00 0.00 C ATOM 87 CD LYS A 64 -14.441 -3.107 1.886 1.00 0.00 C ATOM 88 CE LYS A 64 -14.669 -4.561 2.270 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.592 -5.247 1.325 1.00 0.00 N ATOM 0 H LYS A 64 -11.650 -0.522 2.016 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.625 -2.567 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.923 -2.889 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.854 -4.065 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.375 -2.752 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.319 -1.415 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.347 -2.532 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.243 -3.039 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.714 -5.085 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.080 -4.610 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.721 -6.235 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.512 -4.762 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.188 -5.223 0.367 1.00 0.00 H new ATOM 103 N THR A 65 -8.667 -1.647 1.638 1.00 0.00 N ATOM 104 CA THR A 65 -7.424 -1.877 0.913 1.00 0.00 C ATOM 105 C THR A 65 -6.764 -3.179 1.352 1.00 0.00 C ATOM 106 O THR A 65 -6.182 -3.897 0.538 1.00 0.00 O ATOM 107 CB THR A 65 -6.432 -0.717 1.117 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.109 -1.135 0.762 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.447 -0.240 2.562 1.00 0.00 C ATOM 0 H THR A 65 -8.854 -0.668 1.855 1.00 0.00 H new ATOM 0 HA THR A 65 -7.682 -1.943 -0.144 1.00 0.00 H new ATOM 0 HB THR A 65 -6.737 0.109 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.485 -0.391 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.739 0.580 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.448 0.105 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.165 -1.062 3.220 1.00 0.00 H new ATOM 117 N VAL A 66 -6.859 -3.479 2.643 1.00 0.00 N ATOM 118 CA VAL A 66 -6.272 -4.697 3.190 1.00 0.00 C ATOM 119 C VAL A 66 -7.280 -5.841 3.190 1.00 0.00 C ATOM 120 O VAL A 66 -8.475 -5.630 3.397 1.00 0.00 O ATOM 121 CB VAL A 66 -5.761 -4.478 4.626 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.570 -5.810 5.335 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.465 -3.680 4.614 1.00 0.00 C ATOM 0 H VAL A 66 -7.337 -2.896 3.330 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.430 -4.958 2.549 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.509 -3.906 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.209 -5.634 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.522 -6.340 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.843 -6.412 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.118 -3.534 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.708 -4.223 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.639 -2.710 4.148 1.00 0.00 H new ATOM 133 N VAL A 67 -6.790 -7.054 2.956 1.00 0.00 N ATOM 134 CA VAL A 67 -7.647 -8.233 2.931 1.00 0.00 C ATOM 135 C VAL A 67 -7.807 -8.826 4.326 1.00 0.00 C ATOM 136 O VAL A 67 -6.824 -9.060 5.030 1.00 0.00 O ATOM 137 CB VAL A 67 -7.088 -9.314 1.987 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.767 -10.650 2.243 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.256 -8.891 0.535 1.00 0.00 C ATOM 0 H VAL A 67 -5.804 -7.246 2.781 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.620 -7.908 2.563 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.023 -9.431 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.359 -11.401 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.591 -10.956 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.839 -10.552 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.856 -9.666 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.314 -8.745 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.718 -7.958 0.363 1.00 0.00 H new ATOM 149 N CYS A 68 -9.052 -9.069 4.721 1.00 0.00 N ATOM 150 CA CYS A 68 -9.343 -9.636 6.032 1.00 0.00 C ATOM 151 C CYS A 68 -8.459 -10.848 6.309 1.00 0.00 C ATOM 152 O CYS A 68 -8.207 -11.664 5.421 1.00 0.00 O ATOM 153 CB CYS A 68 -10.817 -10.035 6.124 1.00 0.00 C ATOM 154 SG CYS A 68 -11.398 -10.351 7.821 1.00 0.00 S ATOM 0 H CYS A 68 -9.877 -8.882 4.151 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.132 -8.875 6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.425 -9.244 5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.978 -10.930 5.524 1.00 0.00 H new ATOM 159 N LYS A 69 -7.989 -10.961 7.547 1.00 0.00 N ATOM 160 CA LYS A 69 -7.134 -12.074 7.943 1.00 0.00 C ATOM 161 C LYS A 69 -7.969 -13.254 8.432 1.00 0.00 C ATOM 162 O LYS A 69 -7.502 -14.393 8.447 1.00 0.00 O ATOM 163 CB LYS A 69 -6.164 -11.633 9.041 1.00 0.00 C ATOM 164 CG LYS A 69 -6.811 -10.779 10.118 1.00 0.00 C ATOM 165 CD LYS A 69 -6.116 -10.951 11.458 1.00 0.00 C ATOM 166 CE LYS A 69 -6.255 -12.373 11.980 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.110 -13.230 11.566 1.00 0.00 N ATOM 0 H LYS A 69 -8.186 -10.295 8.294 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.565 -12.391 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.727 -12.517 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.346 -11.073 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.777 -9.731 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.863 -11.049 10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.060 -10.701 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.540 -10.254 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.321 -12.356 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.185 -12.806 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.459 -14.019 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.436 -12.664 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.634 -13.606 12.411 1.00 0.00 H new ATOM 181 N HIS A 70 -9.206 -12.974 8.829 1.00 0.00 N ATOM 182 CA HIS A 70 -10.106 -14.013 9.316 1.00 0.00 C ATOM 183 C HIS A 70 -10.695 -14.809 8.156 1.00 0.00 C ATOM 184 O HIS A 70 -10.540 -16.029 8.085 1.00 0.00 O ATOM 185 CB HIS A 70 -11.230 -13.395 10.148 1.00 0.00 C ATOM 186 CG HIS A 70 -10.746 -12.432 11.187 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.201 -11.203 10.879 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.728 -12.521 12.538 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.867 -10.579 11.995 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.177 -11.357 13.016 1.00 0.00 N ATOM 0 H HIS A 70 -9.608 -12.037 8.823 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.530 -14.692 9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.923 -12.880 9.482 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.790 -14.192 10.636 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.081 -13.353 13.130 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.417 -9.599 12.061 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.031 -11.130 14.000 1.00 0.00 H new ATOM 198 N TRP A 71 -11.371 -14.113 7.249 1.00 0.00 N ATOM 199 CA TRP A 71 -11.984 -14.755 6.092 1.00 0.00 C ATOM 200 C TRP A 71 -10.993 -15.681 5.396 1.00 0.00 C ATOM 201 O TRP A 71 -11.365 -16.747 4.903 1.00 0.00 O ATOM 202 CB TRP A 71 -12.494 -13.701 5.108 1.00 0.00 C ATOM 203 CG TRP A 71 -12.576 -14.197 3.696 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.611 -14.883 3.128 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.583 -14.046 2.676 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.321 -15.168 1.815 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.083 -14.665 1.513 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.321 -13.447 2.631 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.364 -14.701 0.322 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.609 -13.484 1.448 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.131 -14.107 0.306 1.00 0.00 C ATOM 0 H TRP A 71 -11.509 -13.103 7.293 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.826 -15.352 6.442 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.481 -13.365 5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.836 -12.833 5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.523 -15.161 3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.929 -15.672 1.170 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.910 -12.964 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.765 -15.181 -0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.633 -13.025 1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.549 -14.119 -0.604 1.00 0.00 H new ATOM 222 N LEU A 72 -9.731 -15.269 5.357 1.00 0.00 N ATOM 223 CA LEU A 72 -8.686 -16.063 4.720 1.00 0.00 C ATOM 224 C LEU A 72 -8.771 -17.523 5.153 1.00 0.00 C ATOM 225 O LEU A 72 -8.685 -18.432 4.327 1.00 0.00 O ATOM 226 CB LEU A 72 -7.307 -15.497 5.065 1.00 0.00 C ATOM 227 CG LEU A 72 -6.864 -14.273 4.262 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.573 -13.702 4.828 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.693 -14.632 2.794 1.00 0.00 C ATOM 0 H LEU A 72 -9.406 -14.390 5.759 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.833 -16.014 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.298 -15.235 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.567 -16.285 4.925 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.639 -13.510 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.273 -12.832 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.730 -13.406 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.789 -14.458 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.378 -13.749 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.938 -15.412 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.641 -14.993 2.395 1.00 0.00 H new ATOM 241 N ARG A 73 -8.943 -17.741 6.453 1.00 0.00 N ATOM 242 CA ARG A 73 -9.041 -19.090 6.995 1.00 0.00 C ATOM 243 C ARG A 73 -10.491 -19.444 7.313 1.00 0.00 C ATOM 244 O ARG A 73 -10.766 -20.447 7.970 1.00 0.00 O ATOM 245 CB ARG A 73 -8.185 -19.220 8.256 1.00 0.00 C ATOM 246 CG ARG A 73 -6.694 -19.305 7.974 1.00 0.00 C ATOM 247 CD ARG A 73 -6.245 -20.745 7.782 1.00 0.00 C ATOM 248 NE ARG A 73 -4.809 -20.904 7.994 1.00 0.00 N ATOM 249 CZ ARG A 73 -4.208 -22.083 8.104 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.915 -23.202 8.021 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.896 -22.146 8.296 1.00 0.00 N ATOM 0 H ARG A 73 -9.017 -17.000 7.150 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.672 -19.785 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.375 -18.364 8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.494 -20.110 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.458 -18.727 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.140 -18.857 8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.787 -21.389 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.501 -21.073 6.775 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.236 -20.063 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.923 -23.158 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.451 -24.106 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.348 -21.288 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.436 -23.052 8.380 1.00 0.00 H new ATOM 265 N GLY A 74 -11.415 -18.612 6.842 1.00 0.00 N ATOM 266 CA GLY A 74 -12.825 -18.854 7.086 1.00 0.00 C ATOM 267 C GLY A 74 -13.204 -18.653 8.540 1.00 0.00 C ATOM 268 O GLY A 74 -13.975 -19.432 9.102 1.00 0.00 O ATOM 0 H GLY A 74 -11.212 -17.775 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.419 -18.185 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.073 -19.872 6.786 1.00 0.00 H new ATOM 272 N LEU A 75 -12.661 -17.606 9.152 1.00 0.00 N ATOM 273 CA LEU A 75 -12.945 -17.305 10.551 1.00 0.00 C ATOM 274 C LEU A 75 -13.731 -16.004 10.679 1.00 0.00 C ATOM 275 O LEU A 75 -13.708 -15.353 11.724 1.00 0.00 O ATOM 276 CB LEU A 75 -11.643 -17.208 11.347 1.00 0.00 C ATOM 277 CG LEU A 75 -11.015 -18.537 11.770 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.416 -19.251 10.569 1.00 0.00 C ATOM 279 CD2 LEU A 75 -9.956 -18.309 12.840 1.00 0.00 C ATOM 0 H LEU A 75 -12.022 -16.951 8.701 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.551 -18.116 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.915 -16.659 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.831 -16.616 12.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.797 -19.170 12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.974 -20.194 10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.198 -19.447 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.646 -18.624 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.519 -19.265 13.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.175 -17.658 12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.414 -17.841 13.711 1.00 0.00 H new ATOM 291 N CYS A 76 -14.427 -15.631 9.610 1.00 0.00 N ATOM 292 CA CYS A 76 -15.222 -14.409 9.603 1.00 0.00 C ATOM 293 C CYS A 76 -16.674 -14.707 9.239 1.00 0.00 C ATOM 294 O CYS A 76 -16.958 -15.637 8.484 1.00 0.00 O ATOM 295 CB CYS A 76 -14.633 -13.399 8.615 1.00 0.00 C ATOM 296 SG CYS A 76 -14.927 -11.659 9.067 1.00 0.00 S ATOM 0 H CYS A 76 -14.456 -16.158 8.737 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.198 -13.983 10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.559 -13.567 8.538 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.056 -13.583 7.628 1.00 0.00 H new ATOM 301 N LYS A 77 -17.589 -13.910 9.780 1.00 0.00 N ATOM 302 CA LYS A 77 -19.011 -14.085 9.512 1.00 0.00 C ATOM 303 C LYS A 77 -19.673 -12.748 9.192 1.00 0.00 C ATOM 304 O LYS A 77 -20.863 -12.557 9.442 1.00 0.00 O ATOM 305 CB LYS A 77 -19.701 -14.733 10.714 1.00 0.00 C ATOM 306 CG LYS A 77 -19.498 -16.236 10.794 1.00 0.00 C ATOM 307 CD LYS A 77 -20.367 -16.971 9.788 1.00 0.00 C ATOM 308 CE LYS A 77 -21.770 -17.205 10.328 1.00 0.00 C ATOM 309 NZ LYS A 77 -22.665 -16.043 10.070 1.00 0.00 N ATOM 0 H LYS A 77 -17.371 -13.136 10.407 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.114 -14.738 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.325 -14.275 11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.769 -14.521 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.450 -16.473 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.733 -16.583 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.423 -16.395 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.908 -17.928 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.192 -18.098 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.720 -17.393 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.588 -16.384 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.795 -15.503 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.238 -15.429 9.347 1.00 0.00 H new ATOM 323 N LYS A 78 -18.895 -11.825 8.637 1.00 0.00 N ATOM 324 CA LYS A 78 -19.405 -10.507 8.280 1.00 0.00 C ATOM 325 C LYS A 78 -19.624 -10.398 6.774 1.00 0.00 C ATOM 326 O LYS A 78 -20.570 -9.755 6.320 1.00 0.00 O ATOM 327 CB LYS A 78 -18.435 -9.419 8.745 1.00 0.00 C ATOM 328 CG LYS A 78 -18.135 -9.467 10.233 1.00 0.00 C ATOM 329 CD LYS A 78 -17.272 -8.294 10.666 1.00 0.00 C ATOM 330 CE LYS A 78 -18.076 -7.005 10.735 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.821 -6.884 12.018 1.00 0.00 N ATOM 0 H LYS A 78 -17.907 -11.966 8.425 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.364 -10.368 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.501 -9.516 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.852 -8.443 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.070 -9.459 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.627 -10.401 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.835 -8.504 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.445 -8.171 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.406 -6.153 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.779 -6.970 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -19.356 -5.992 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.479 -7.684 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.149 -6.891 12.812 1.00 0.00 H new ATOM 345 N GLY A 79 -18.744 -11.032 6.005 1.00 0.00 N ATOM 346 CA GLY A 79 -18.860 -10.994 4.559 1.00 0.00 C ATOM 347 C GLY A 79 -18.844 -9.580 4.013 1.00 0.00 C ATOM 348 O GLY A 79 -17.779 -8.986 3.842 1.00 0.00 O ATOM 0 H GLY A 79 -17.953 -11.571 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.040 -11.560 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.785 -11.486 4.259 1.00 0.00 H new ATOM 352 N ASP A 80 -20.026 -9.041 3.736 1.00 0.00 N ATOM 353 CA ASP A 80 -20.144 -7.688 3.205 1.00 0.00 C ATOM 354 C ASP A 80 -20.197 -6.663 4.334 1.00 0.00 C ATOM 355 O ASP A 80 -20.291 -5.461 4.090 1.00 0.00 O ATOM 356 CB ASP A 80 -21.393 -7.567 2.331 1.00 0.00 C ATOM 357 CG ASP A 80 -21.271 -8.347 1.036 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.157 -8.393 0.473 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.289 -8.913 0.587 1.00 0.00 O ATOM 0 H ASP A 80 -20.916 -9.520 3.870 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.263 -7.486 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.259 -7.926 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.573 -6.516 2.103 1.00 0.00 H new ATOM 364 N GLN A 81 -20.138 -7.149 5.570 1.00 0.00 N ATOM 365 CA GLN A 81 -20.182 -6.275 6.737 1.00 0.00 C ATOM 366 C GLN A 81 -18.778 -6.007 7.269 1.00 0.00 C ATOM 367 O GLN A 81 -18.551 -5.036 7.991 1.00 0.00 O ATOM 368 CB GLN A 81 -21.046 -6.898 7.834 1.00 0.00 C ATOM 369 CG GLN A 81 -22.487 -6.412 7.824 1.00 0.00 C ATOM 370 CD GLN A 81 -23.479 -7.523 8.103 1.00 0.00 C ATOM 371 OE1 GLN A 81 -24.214 -7.481 9.090 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.507 -8.525 7.232 1.00 0.00 N ATOM 0 H GLN A 81 -20.060 -8.142 5.789 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.623 -5.326 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.036 -7.982 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.603 -6.675 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.607 -5.627 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.709 -5.966 6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.880 -8.519 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.156 -9.300 7.367 1.00 0.00 H new ATOM 381 N CYS A 82 -17.838 -6.874 6.908 1.00 0.00 N ATOM 382 CA CYS A 82 -16.456 -6.733 7.349 1.00 0.00 C ATOM 383 C CYS A 82 -15.887 -5.380 6.931 1.00 0.00 C ATOM 384 O CYS A 82 -16.457 -4.691 6.086 1.00 0.00 O ATOM 385 CB CYS A 82 -15.597 -7.860 6.773 1.00 0.00 C ATOM 386 SG CYS A 82 -13.997 -8.080 7.616 1.00 0.00 S ATOM 0 H CYS A 82 -18.009 -7.683 6.310 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.440 -6.794 8.437 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.156 -8.794 6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.415 -7.660 5.717 1.00 0.00 H new ATOM 391 N GLU A 83 -14.760 -5.008 7.528 1.00 0.00 N ATOM 392 CA GLU A 83 -14.115 -3.737 7.218 1.00 0.00 C ATOM 393 C GLU A 83 -12.905 -3.949 6.312 1.00 0.00 C ATOM 394 O GLU A 83 -12.189 -3.003 5.983 1.00 0.00 O ATOM 395 CB GLU A 83 -13.684 -3.030 8.505 1.00 0.00 C ATOM 396 CG GLU A 83 -13.258 -3.983 9.609 1.00 0.00 C ATOM 397 CD GLU A 83 -12.362 -3.320 10.637 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.654 -2.357 10.274 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.368 -3.763 11.804 1.00 0.00 O ATOM 0 H GLU A 83 -14.274 -5.568 8.229 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.837 -3.111 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.858 -2.355 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.509 -2.415 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.144 -4.378 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.734 -4.832 9.169 1.00 0.00 H new ATOM 406 N PHE A 84 -12.683 -5.197 5.912 1.00 0.00 N ATOM 407 CA PHE A 84 -11.560 -5.534 5.046 1.00 0.00 C ATOM 408 C PHE A 84 -12.038 -6.267 3.796 1.00 0.00 C ATOM 409 O PHE A 84 -13.189 -6.700 3.718 1.00 0.00 O ATOM 410 CB PHE A 84 -10.547 -6.397 5.801 1.00 0.00 C ATOM 411 CG PHE A 84 -9.932 -5.704 6.983 1.00 0.00 C ATOM 412 CD1 PHE A 84 -8.785 -4.942 6.835 1.00 0.00 C ATOM 413 CD2 PHE A 84 -10.501 -5.816 8.241 1.00 0.00 C ATOM 414 CE1 PHE A 84 -8.216 -4.304 7.922 1.00 0.00 C ATOM 415 CE2 PHE A 84 -9.938 -5.179 9.331 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.794 -4.422 9.171 1.00 0.00 C ATOM 0 H PHE A 84 -13.266 -5.992 6.174 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.079 -4.605 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.039 -7.308 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.756 -6.699 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.330 -4.845 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.395 -6.408 8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.320 -3.714 7.794 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.392 -5.273 10.306 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.352 -3.923 10.021 1.00 0.00 H new ATOM 426 N LEU A 85 -11.148 -6.401 2.819 1.00 0.00 N ATOM 427 CA LEU A 85 -11.478 -7.081 1.571 1.00 0.00 C ATOM 428 C LEU A 85 -11.571 -8.589 1.781 1.00 0.00 C ATOM 429 O LEU A 85 -10.783 -9.173 2.526 1.00 0.00 O ATOM 430 CB LEU A 85 -10.428 -6.767 0.503 1.00 0.00 C ATOM 431 CG LEU A 85 -10.569 -5.417 -0.200 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.236 -4.977 -0.785 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.632 -5.489 -1.286 1.00 0.00 C ATOM 0 H LEU A 85 -10.192 -6.048 2.867 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.449 -6.719 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.443 -6.811 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.461 -7.552 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.881 -4.677 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.357 -4.014 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.501 -4.884 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.894 -5.717 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.718 -4.519 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.350 -6.243 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.590 -5.757 -0.840 1.00 0.00 H new ATOM 445 N HIS A 86 -12.538 -9.215 1.117 1.00 0.00 N ATOM 446 CA HIS A 86 -12.732 -10.656 1.228 1.00 0.00 C ATOM 447 C HIS A 86 -12.362 -11.357 -0.076 1.00 0.00 C ATOM 448 O HIS A 86 -12.879 -12.431 -0.382 1.00 0.00 O ATOM 449 CB HIS A 86 -14.183 -10.969 1.595 1.00 0.00 C ATOM 450 CG HIS A 86 -14.449 -10.937 3.069 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.522 -11.575 3.654 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.772 -10.340 4.078 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.495 -11.370 4.959 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.442 -10.624 5.242 1.00 0.00 N ATOM 0 H HIS A 86 -13.199 -8.747 0.497 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.077 -11.026 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.837 -10.251 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.442 -11.955 1.209 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.227 -12.120 3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.872 -9.750 3.985 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.212 -11.748 5.673 1.00 0.00 H new ATOM 462 N GLU A 87 -11.466 -10.740 -0.840 1.00 0.00 N ATOM 463 CA GLU A 87 -11.029 -11.305 -2.111 1.00 0.00 C ATOM 464 C GLU A 87 -9.507 -11.293 -2.217 1.00 0.00 C ATOM 465 O GLU A 87 -8.868 -10.260 -2.019 1.00 0.00 O ATOM 466 CB GLU A 87 -11.638 -10.524 -3.277 1.00 0.00 C ATOM 467 CG GLU A 87 -11.290 -9.045 -3.268 1.00 0.00 C ATOM 468 CD GLU A 87 -11.781 -8.321 -4.507 1.00 0.00 C ATOM 469 OE1 GLU A 87 -13.009 -8.140 -4.641 1.00 0.00 O ATOM 470 OE2 GLU A 87 -10.936 -7.937 -5.342 1.00 0.00 O ATOM 0 H GLU A 87 -11.029 -9.850 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.371 -12.339 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.297 -10.963 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.722 -10.634 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.725 -8.579 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.209 -8.931 -3.190 1.00 0.00 H new ATOM 477 N TYR A 88 -8.933 -12.450 -2.530 1.00 0.00 N ATOM 478 CA TYR A 88 -7.486 -12.575 -2.659 1.00 0.00 C ATOM 479 C TYR A 88 -6.963 -11.699 -3.793 1.00 0.00 C ATOM 480 O TYR A 88 -7.109 -12.033 -4.969 1.00 0.00 O ATOM 481 CB TYR A 88 -7.100 -14.034 -2.907 1.00 0.00 C ATOM 482 CG TYR A 88 -5.767 -14.418 -2.304 1.00 0.00 C ATOM 483 CD1 TYR A 88 -5.682 -14.895 -1.002 1.00 0.00 C ATOM 484 CD2 TYR A 88 -4.592 -14.304 -3.038 1.00 0.00 C ATOM 485 CE1 TYR A 88 -4.467 -15.246 -0.448 1.00 0.00 C ATOM 486 CE2 TYR A 88 -3.373 -14.654 -2.492 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.315 -15.124 -1.197 1.00 0.00 C ATOM 488 OH TYR A 88 -2.102 -15.474 -0.649 1.00 0.00 O ATOM 0 H TYR A 88 -9.448 -13.314 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.033 -12.239 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.875 -14.681 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.069 -14.216 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.582 -14.993 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.633 -13.935 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.419 -15.614 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.470 -14.560 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.391 -15.329 -1.308 1.00 0.00 H new ATOM 498 N ASP A 89 -6.352 -10.576 -3.431 1.00 0.00 N ATOM 499 CA ASP A 89 -5.805 -9.651 -4.417 1.00 0.00 C ATOM 500 C ASP A 89 -4.327 -9.383 -4.149 1.00 0.00 C ATOM 501 O ASP A 89 -3.963 -8.855 -3.099 1.00 0.00 O ATOM 502 CB ASP A 89 -6.585 -8.336 -4.402 1.00 0.00 C ATOM 503 CG ASP A 89 -7.725 -8.327 -5.402 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.331 -9.397 -5.621 1.00 0.00 O ATOM 505 OD2 ASP A 89 -8.011 -7.250 -5.965 1.00 0.00 O ATOM 0 H ASP A 89 -6.223 -10.284 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.900 -10.110 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.982 -8.164 -3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.906 -7.512 -4.622 1.00 0.00 H new ATOM 510 N MET A 90 -3.481 -9.753 -5.105 1.00 0.00 N ATOM 511 CA MET A 90 -2.043 -9.552 -4.971 1.00 0.00 C ATOM 512 C MET A 90 -1.714 -8.072 -4.801 1.00 0.00 C ATOM 513 O MET A 90 -0.691 -7.716 -4.215 1.00 0.00 O ATOM 514 CB MET A 90 -1.313 -10.112 -6.194 1.00 0.00 C ATOM 515 CG MET A 90 -1.397 -11.625 -6.312 1.00 0.00 C ATOM 516 SD MET A 90 0.015 -12.460 -5.565 1.00 0.00 S ATOM 517 CE MET A 90 -0.322 -12.205 -3.825 1.00 0.00 C ATOM 0 H MET A 90 -3.766 -10.193 -5.980 1.00 0.00 H new ATOM 0 HA MET A 90 -1.708 -10.084 -4.081 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.731 -9.662 -7.094 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.265 -9.817 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.313 -11.972 -5.835 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.462 -11.900 -7.365 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.022 -13.070 -3.257 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.201 -11.313 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.394 -12.077 -3.677 1.00 0.00 H new ATOM 527 N THR A 91 -2.587 -7.213 -5.319 1.00 0.00 N ATOM 528 CA THR A 91 -2.388 -5.773 -5.225 1.00 0.00 C ATOM 529 C THR A 91 -2.977 -5.219 -3.933 1.00 0.00 C ATOM 530 O THR A 91 -2.292 -4.541 -3.167 1.00 0.00 O ATOM 531 CB THR A 91 -3.023 -5.039 -6.422 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.444 -5.218 -6.407 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.456 -5.555 -7.736 1.00 0.00 C ATOM 0 H THR A 91 -3.438 -7.490 -5.808 1.00 0.00 H new ATOM 0 HA THR A 91 -1.312 -5.602 -5.232 1.00 0.00 H new ATOM 0 HB THR A 91 -2.789 -3.978 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.841 -4.747 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.919 -5.022 -8.566 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.378 -5.392 -7.756 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.664 -6.621 -7.828 1.00 0.00 H new ATOM 541 N LYS A 92 -4.251 -5.512 -3.696 1.00 0.00 N ATOM 542 CA LYS A 92 -4.934 -5.045 -2.495 1.00 0.00 C ATOM 543 C LYS A 92 -4.255 -5.584 -1.240 1.00 0.00 C ATOM 544 O LYS A 92 -4.012 -4.843 -0.288 1.00 0.00 O ATOM 545 CB LYS A 92 -6.402 -5.475 -2.519 1.00 0.00 C ATOM 546 CG LYS A 92 -7.136 -5.066 -3.784 1.00 0.00 C ATOM 547 CD LYS A 92 -7.782 -3.698 -3.637 1.00 0.00 C ATOM 548 CE LYS A 92 -6.742 -2.589 -3.617 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.333 -1.268 -3.969 1.00 0.00 N ATOM 0 H LYS A 92 -4.832 -6.071 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.881 -3.956 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.456 -6.558 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.912 -5.044 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.439 -5.052 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.900 -5.807 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.476 -3.532 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.366 -3.667 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.290 -2.532 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.943 -2.828 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.592 -0.539 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.742 -1.314 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.078 -1.028 -3.285 1.00 0.00 H new ATOM 563 N MET A 93 -3.951 -6.878 -1.246 1.00 0.00 N ATOM 564 CA MET A 93 -3.298 -7.514 -0.108 1.00 0.00 C ATOM 565 C MET A 93 -1.948 -6.864 0.178 1.00 0.00 C ATOM 566 O MET A 93 -1.252 -6.399 -0.725 1.00 0.00 O ATOM 567 CB MET A 93 -3.111 -9.010 -0.372 1.00 0.00 C ATOM 568 CG MET A 93 -1.831 -9.339 -1.123 1.00 0.00 C ATOM 569 SD MET A 93 -1.598 -11.112 -1.355 1.00 0.00 S ATOM 570 CE MET A 93 -1.850 -11.707 0.316 1.00 0.00 C ATOM 0 H MET A 93 -4.146 -7.506 -2.026 1.00 0.00 H new ATOM 0 HA MET A 93 -3.936 -7.383 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.111 -9.541 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.963 -9.379 -0.943 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.849 -8.848 -2.096 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.979 -8.933 -0.577 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.389 -12.689 0.426 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.396 -11.012 1.022 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.918 -11.783 0.518 1.00 0.00 H new ATOM 580 N PRO A 94 -1.568 -6.828 1.464 1.00 0.00 N ATOM 581 CA PRO A 94 -0.299 -6.236 1.898 1.00 0.00 C ATOM 582 C PRO A 94 0.905 -7.065 1.463 1.00 0.00 C ATOM 583 O PRO A 94 0.756 -8.192 0.992 1.00 0.00 O ATOM 584 CB PRO A 94 -0.417 -6.224 3.424 1.00 0.00 C ATOM 585 CG PRO A 94 -1.375 -7.321 3.739 1.00 0.00 C ATOM 586 CD PRO A 94 -2.348 -7.362 2.593 1.00 0.00 C ATOM 0 HA PRO A 94 -0.138 -5.250 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.550 -6.395 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.783 -5.263 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.856 -8.274 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.889 -7.132 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.696 -8.376 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.231 -6.756 2.794 1.00 0.00 H new ATOM 594 N GLU A 95 2.097 -6.498 1.626 1.00 0.00 N ATOM 595 CA GLU A 95 3.326 -7.186 1.249 1.00 0.00 C ATOM 596 C GLU A 95 3.852 -8.033 2.405 1.00 0.00 C ATOM 597 O GLU A 95 3.286 -8.030 3.499 1.00 0.00 O ATOM 598 CB GLU A 95 4.391 -6.175 0.818 1.00 0.00 C ATOM 599 CG GLU A 95 3.894 -5.169 -0.207 1.00 0.00 C ATOM 600 CD GLU A 95 3.045 -4.077 0.412 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.228 -3.791 1.614 1.00 0.00 O ATOM 602 OE2 GLU A 95 2.197 -3.507 -0.306 1.00 0.00 O ATOM 0 H GLU A 95 2.237 -5.566 2.016 1.00 0.00 H new ATOM 0 HA GLU A 95 3.100 -7.845 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.749 -5.639 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.244 -6.712 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.748 -4.718 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.312 -5.689 -0.968 1.00 0.00 H new ATOM 609 N CYS A 96 4.938 -8.756 2.155 1.00 0.00 N ATOM 610 CA CYS A 96 5.541 -9.609 3.172 1.00 0.00 C ATOM 611 C CYS A 96 6.043 -8.778 4.350 1.00 0.00 C ATOM 612 O CYS A 96 7.011 -8.028 4.225 1.00 0.00 O ATOM 613 CB CYS A 96 6.695 -10.415 2.573 1.00 0.00 C ATOM 614 SG CYS A 96 7.322 -11.736 3.660 1.00 0.00 S ATOM 0 H CYS A 96 5.419 -8.768 1.256 1.00 0.00 H new ATOM 0 HA CYS A 96 4.777 -10.297 3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.365 -10.858 1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.514 -9.736 2.335 1.00 0.00 H new ATOM 619 N TYR A 97 5.379 -8.919 5.491 1.00 0.00 N ATOM 620 CA TYR A 97 5.756 -8.180 6.690 1.00 0.00 C ATOM 621 C TYR A 97 7.262 -8.251 6.923 1.00 0.00 C ATOM 622 O TYR A 97 7.872 -7.300 7.411 1.00 0.00 O ATOM 623 CB TYR A 97 5.014 -8.732 7.909 1.00 0.00 C ATOM 624 CG TYR A 97 5.779 -8.581 9.204 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.409 -7.385 9.526 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.874 -9.635 10.105 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.110 -7.243 10.707 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.572 -9.501 11.289 1.00 0.00 C ATOM 629 CZ TYR A 97 7.189 -8.303 11.586 1.00 0.00 C ATOM 630 OH TYR A 97 7.886 -8.166 12.764 1.00 0.00 O ATOM 0 H TYR A 97 4.577 -9.538 5.611 1.00 0.00 H new ATOM 0 HA TYR A 97 5.478 -7.136 6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.055 -8.222 8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.799 -9.788 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.349 -6.552 8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.394 -10.575 9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.594 -6.306 10.941 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.635 -10.330 11.979 1.00 0.00 H new ATOM 0 HH TYR A 97 7.843 -9.005 13.269 1.00 0.00 H new ATOM 640 N PHE A 98 7.855 -9.387 6.570 1.00 0.00 N ATOM 641 CA PHE A 98 9.290 -9.584 6.739 1.00 0.00 C ATOM 642 C PHE A 98 10.076 -8.767 5.718 1.00 0.00 C ATOM 643 O PHE A 98 10.788 -7.827 6.074 1.00 0.00 O ATOM 644 CB PHE A 98 9.642 -11.067 6.602 1.00 0.00 C ATOM 645 CG PHE A 98 9.112 -11.915 7.723 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.745 -11.931 8.956 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.982 -12.696 7.544 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.260 -12.710 9.990 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.492 -13.476 8.574 1.00 0.00 C ATOM 650 CZ PHE A 98 8.133 -13.484 9.798 1.00 0.00 C ATOM 0 H PHE A 98 7.364 -10.184 6.165 1.00 0.00 H new ATOM 0 HA PHE A 98 9.563 -9.243 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.247 -11.440 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.726 -11.172 6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.627 -11.328 9.111 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.478 -12.695 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.762 -12.713 10.946 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.609 -14.079 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.753 -14.095 10.603 1.00 0.00 H new ATOM 660 N TYR A 99 9.942 -9.132 4.448 1.00 0.00 N ATOM 661 CA TYR A 99 10.642 -8.435 3.375 1.00 0.00 C ATOM 662 C TYR A 99 10.285 -6.952 3.365 1.00 0.00 C ATOM 663 O TYR A 99 10.965 -6.143 2.735 1.00 0.00 O ATOM 664 CB TYR A 99 10.298 -9.063 2.023 1.00 0.00 C ATOM 665 CG TYR A 99 11.403 -8.936 0.998 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.390 -9.908 0.888 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.461 -7.843 0.142 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.402 -9.796 -0.046 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.468 -7.723 -0.796 1.00 0.00 C ATOM 670 CZ TYR A 99 13.436 -8.702 -0.886 1.00 0.00 C ATOM 671 OH TYR A 99 14.442 -8.586 -1.818 1.00 0.00 O ATOM 0 H TYR A 99 9.355 -9.906 4.136 1.00 0.00 H new ATOM 0 HA TYR A 99 11.713 -8.531 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.069 -10.119 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.396 -8.593 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.366 -10.766 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.706 -7.074 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.162 -10.560 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.497 -6.868 -1.455 1.00 0.00 H new ATOM 0 HH TYR A 99 14.320 -7.759 -2.330 1.00 0.00 H new ATOM 681 N SER A 100 9.213 -6.603 4.070 1.00 0.00 N ATOM 682 CA SER A 100 8.763 -5.218 4.141 1.00 0.00 C ATOM 683 C SER A 100 9.377 -4.508 5.343 1.00 0.00 C ATOM 684 O SER A 100 9.583 -3.294 5.325 1.00 0.00 O ATOM 685 CB SER A 100 7.237 -5.159 4.225 1.00 0.00 C ATOM 686 OG SER A 100 6.799 -3.895 4.692 1.00 0.00 O ATOM 0 H SER A 100 8.640 -7.260 4.600 1.00 0.00 H new ATOM 0 HA SER A 100 9.090 -4.709 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.808 -5.355 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.876 -5.941 4.893 1.00 0.00 H new ATOM 0 HG SER A 100 5.820 -3.883 4.735 1.00 0.00 H new ATOM 692 N LYS A 101 9.669 -5.274 6.389 1.00 0.00 N ATOM 693 CA LYS A 101 10.261 -4.721 7.602 1.00 0.00 C ATOM 694 C LYS A 101 11.756 -5.016 7.660 1.00 0.00 C ATOM 695 O LYS A 101 12.580 -4.101 7.651 1.00 0.00 O ATOM 696 CB LYS A 101 9.568 -5.295 8.840 1.00 0.00 C ATOM 697 CG LYS A 101 9.805 -4.483 10.101 1.00 0.00 C ATOM 698 CD LYS A 101 11.127 -4.843 10.757 1.00 0.00 C ATOM 699 CE LYS A 101 11.073 -4.648 12.264 1.00 0.00 C ATOM 700 NZ LYS A 101 11.279 -3.224 12.647 1.00 0.00 N ATOM 0 H LYS A 101 9.505 -6.280 6.421 1.00 0.00 H new ATOM 0 HA LYS A 101 10.122 -3.640 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.496 -5.353 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.919 -6.314 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.796 -3.421 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.990 -4.656 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.375 -5.880 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.922 -4.227 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.108 -4.989 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.836 -5.265 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.235 -3.133 13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.210 -2.905 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.536 -2.638 12.216 1.00 0.00 H new ATOM 714 N PHE A 102 12.100 -6.299 7.719 1.00 0.00 N ATOM 715 CA PHE A 102 13.496 -6.714 7.778 1.00 0.00 C ATOM 716 C PHE A 102 14.122 -6.720 6.386 1.00 0.00 C ATOM 717 O PHE A 102 15.329 -6.541 6.235 1.00 0.00 O ATOM 718 CB PHE A 102 13.611 -8.104 8.408 1.00 0.00 C ATOM 719 CG PHE A 102 13.081 -8.172 9.811 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.724 -8.326 10.047 1.00 0.00 C ATOM 721 CD2 PHE A 102 13.939 -8.082 10.895 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.233 -8.388 11.337 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.454 -8.144 12.188 1.00 0.00 C ATOM 724 CZ PHE A 102 12.100 -8.298 12.409 1.00 0.00 C ATOM 0 H PHE A 102 11.431 -7.069 7.727 1.00 0.00 H new ATOM 0 HA PHE A 102 14.036 -5.997 8.396 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.071 -8.820 7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.658 -8.408 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.042 -8.398 9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.999 -7.962 10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 102 10.173 -8.507 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.134 -8.072 13.024 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.719 -8.348 13.418 1.00 0.00 H new ATOM 734 N GLY A 103 13.289 -6.929 5.371 1.00 0.00 N ATOM 735 CA GLY A 103 13.777 -6.956 4.005 1.00 0.00 C ATOM 736 C GLY A 103 14.580 -8.206 3.701 1.00 0.00 C ATOM 737 O GLY A 103 15.535 -8.163 2.926 1.00 0.00 O ATOM 0 H GLY A 103 12.285 -7.080 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.932 -6.895 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.397 -6.077 3.826 1.00 0.00 H new ATOM 741 N GLU A 104 14.193 -9.320 4.314 1.00 0.00 N ATOM 742 CA GLU A 104 14.886 -10.586 4.105 1.00 0.00 C ATOM 743 C GLU A 104 13.927 -11.763 4.259 1.00 0.00 C ATOM 744 O GLU A 104 13.430 -12.036 5.352 1.00 0.00 O ATOM 745 CB GLU A 104 16.045 -10.726 5.094 1.00 0.00 C ATOM 746 CG GLU A 104 16.849 -9.450 5.276 1.00 0.00 C ATOM 747 CD GLU A 104 18.131 -9.673 6.054 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.046 -10.006 7.254 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.220 -9.515 5.462 1.00 0.00 O ATOM 0 H GLU A 104 13.404 -9.372 4.959 1.00 0.00 H new ATOM 0 HA GLU A 104 15.281 -10.592 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.650 -11.037 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.710 -11.518 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.090 -9.035 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.238 -8.711 5.794 1.00 0.00 H new ATOM 756 N CYS A 105 13.670 -12.456 3.155 1.00 0.00 N ATOM 757 CA CYS A 105 12.770 -13.603 3.164 1.00 0.00 C ATOM 758 C CYS A 105 13.317 -14.730 2.291 1.00 0.00 C ATOM 759 O CYS A 105 13.640 -14.523 1.122 1.00 0.00 O ATOM 760 CB CYS A 105 11.381 -13.192 2.673 1.00 0.00 C ATOM 761 SG CYS A 105 10.037 -14.278 3.250 1.00 0.00 S ATOM 0 H CYS A 105 14.072 -12.243 2.242 1.00 0.00 H new ATOM 0 HA CYS A 105 12.693 -13.965 4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.177 -12.173 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.381 -13.180 1.583 1.00 0.00 H new ATOM 766 N SER A 106 13.416 -15.923 2.869 1.00 0.00 N ATOM 767 CA SER A 106 13.926 -17.082 2.147 1.00 0.00 C ATOM 768 C SER A 106 12.785 -17.994 1.707 1.00 0.00 C ATOM 769 O SER A 106 12.915 -19.217 1.716 1.00 0.00 O ATOM 770 CB SER A 106 14.910 -17.862 3.021 1.00 0.00 C ATOM 771 OG SER A 106 15.560 -18.878 2.276 1.00 0.00 O ATOM 0 H SER A 106 13.150 -16.112 3.835 1.00 0.00 H new ATOM 0 HA SER A 106 14.445 -16.725 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.652 -17.180 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.380 -18.307 3.863 1.00 0.00 H new ATOM 0 HG SER A 106 14.893 -19.401 1.785 1.00 0.00 H new ATOM 777 N ASN A 107 11.666 -17.388 1.323 1.00 0.00 N ATOM 778 CA ASN A 107 10.500 -18.144 0.881 1.00 0.00 C ATOM 779 C ASN A 107 10.381 -18.120 -0.640 1.00 0.00 C ATOM 780 O ASN A 107 10.214 -17.060 -1.244 1.00 0.00 O ATOM 781 CB ASN A 107 9.228 -17.576 1.512 1.00 0.00 C ATOM 782 CG ASN A 107 9.040 -18.033 2.946 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.924 -17.858 3.786 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.886 -18.623 3.233 1.00 0.00 N ATOM 0 H ASN A 107 11.542 -16.376 1.309 1.00 0.00 H new ATOM 0 HA ASN A 107 10.626 -19.178 1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.266 -16.487 1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.365 -17.881 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.703 -18.952 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.182 -18.747 2.506 1.00 0.00 H new ATOM 791 N LYS A 108 10.468 -19.295 -1.254 1.00 0.00 N ATOM 792 CA LYS A 108 10.368 -19.411 -2.704 1.00 0.00 C ATOM 793 C LYS A 108 8.919 -19.272 -3.162 1.00 0.00 C ATOM 794 O LYS A 108 8.643 -18.678 -4.204 1.00 0.00 O ATOM 795 CB LYS A 108 10.935 -20.754 -3.169 1.00 0.00 C ATOM 796 CG LYS A 108 10.258 -21.954 -2.531 1.00 0.00 C ATOM 797 CD LYS A 108 11.206 -23.137 -2.422 1.00 0.00 C ATOM 798 CE LYS A 108 11.144 -24.016 -3.662 1.00 0.00 C ATOM 799 NZ LYS A 108 11.858 -25.308 -3.461 1.00 0.00 N ATOM 0 H LYS A 108 10.608 -20.182 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 108 10.950 -18.604 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.836 -20.825 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.001 -20.786 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.896 -21.684 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.387 -22.238 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.225 -22.776 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.952 -23.728 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.102 -24.212 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.584 -23.485 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.793 -25.879 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.858 -25.122 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.422 -25.826 -2.672 1.00 0.00 H new ATOM 813 N GLU A 109 8.000 -19.824 -2.377 1.00 0.00 N ATOM 814 CA GLU A 109 6.580 -19.760 -2.703 1.00 0.00 C ATOM 815 C GLU A 109 5.834 -18.866 -1.717 1.00 0.00 C ATOM 816 O GLU A 109 4.766 -19.226 -1.221 1.00 0.00 O ATOM 817 CB GLU A 109 5.970 -21.163 -2.699 1.00 0.00 C ATOM 818 CG GLU A 109 6.420 -22.026 -3.866 1.00 0.00 C ATOM 819 CD GLU A 109 6.028 -23.482 -3.700 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.339 -24.064 -2.640 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.409 -24.038 -4.631 1.00 0.00 O ATOM 0 H GLU A 109 8.213 -20.320 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 109 6.482 -19.331 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.234 -21.662 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.884 -21.078 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.985 -21.639 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.503 -21.955 -3.970 1.00 0.00 H new ATOM 828 N CYS A 110 6.405 -17.700 -1.436 1.00 0.00 N ATOM 829 CA CYS A 110 5.797 -16.754 -0.508 1.00 0.00 C ATOM 830 C CYS A 110 4.568 -16.097 -1.129 1.00 0.00 C ATOM 831 O CYS A 110 4.651 -15.389 -2.132 1.00 0.00 O ATOM 832 CB CYS A 110 6.811 -15.682 -0.102 1.00 0.00 C ATOM 833 SG CYS A 110 6.489 -14.934 1.527 1.00 0.00 S ATOM 0 H CYS A 110 7.289 -17.387 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 110 5.484 -17.304 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.808 -16.123 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.814 -14.896 -0.857 1.00 0.00 H new ATOM 838 N PRO A 111 3.397 -16.337 -0.519 1.00 0.00 N ATOM 839 CA PRO A 111 2.128 -15.777 -0.994 1.00 0.00 C ATOM 840 C PRO A 111 2.043 -14.270 -0.780 1.00 0.00 C ATOM 841 O PRO A 111 1.021 -13.649 -1.071 1.00 0.00 O ATOM 842 CB PRO A 111 1.082 -16.499 -0.140 1.00 0.00 C ATOM 843 CG PRO A 111 1.808 -16.887 1.101 1.00 0.00 C ATOM 844 CD PRO A 111 3.223 -17.171 0.682 1.00 0.00 C ATOM 0 HA PRO A 111 1.995 -15.919 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.236 -15.849 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.685 -17.373 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.773 -16.086 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.354 -17.765 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.935 -16.904 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.373 -18.228 0.462 1.00 0.00 H new ATOM 852 N PHE A 112 3.123 -13.687 -0.270 1.00 0.00 N ATOM 853 CA PHE A 112 3.169 -12.252 -0.017 1.00 0.00 C ATOM 854 C PHE A 112 4.006 -11.540 -1.076 1.00 0.00 C ATOM 855 O PHE A 112 4.700 -12.179 -1.868 1.00 0.00 O ATOM 856 CB PHE A 112 3.745 -11.976 1.374 1.00 0.00 C ATOM 857 CG PHE A 112 2.717 -12.029 2.469 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.700 -11.090 2.528 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.769 -13.017 3.439 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.753 -11.136 3.534 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.825 -13.068 4.446 1.00 0.00 C ATOM 862 CZ PHE A 112 0.816 -12.126 4.495 1.00 0.00 C ATOM 0 H PHE A 112 3.978 -14.186 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 112 2.150 -11.867 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.528 -12.704 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.216 -10.993 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.646 -10.313 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.556 -13.755 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.035 -10.399 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.876 -13.844 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.078 -12.163 5.283 1.00 0.00 H new ATOM 872 N LEU A 113 3.935 -10.213 -1.084 1.00 0.00 N ATOM 873 CA LEU A 113 4.685 -9.413 -2.045 1.00 0.00 C ATOM 874 C LEU A 113 6.100 -9.142 -1.542 1.00 0.00 C ATOM 875 O LEU A 113 6.303 -8.822 -0.371 1.00 0.00 O ATOM 876 CB LEU A 113 3.964 -8.090 -2.310 1.00 0.00 C ATOM 877 CG LEU A 113 2.541 -8.199 -2.857 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.548 -8.417 -1.725 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.179 -6.954 -3.654 1.00 0.00 C ATOM 0 H LEU A 113 3.366 -9.669 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 113 4.752 -9.976 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.932 -7.524 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.559 -7.510 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 113 2.494 -9.060 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.541 -8.492 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.795 -9.338 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.596 -7.577 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.163 -7.049 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.244 -6.078 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.871 -6.842 -4.489 1.00 0.00 H new ATOM 891 N HIS A 114 7.075 -9.270 -2.437 1.00 0.00 N ATOM 892 CA HIS A 114 8.471 -9.037 -2.085 1.00 0.00 C ATOM 893 C HIS A 114 9.009 -7.795 -2.790 1.00 0.00 C ATOM 894 O HIS A 114 9.398 -7.853 -3.957 1.00 0.00 O ATOM 895 CB HIS A 114 9.321 -10.254 -2.449 1.00 0.00 C ATOM 896 CG HIS A 114 9.439 -11.256 -1.343 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.033 -12.489 -1.504 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.035 -11.201 -0.052 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.989 -13.150 -0.361 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.388 -12.390 0.537 1.00 0.00 N ATOM 0 H HIS A 114 6.924 -9.534 -3.411 1.00 0.00 H new ATOM 0 HA HIS A 114 8.526 -8.874 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.889 -10.740 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.319 -9.918 -2.732 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.443 -12.837 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.529 -10.375 0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.378 -14.143 -0.190 1.00 0.00 H new ATOM 908 N ILE A 115 9.026 -6.676 -2.075 1.00 0.00 N ATOM 909 CA ILE A 115 9.517 -5.421 -2.633 1.00 0.00 C ATOM 910 C ILE A 115 10.838 -5.013 -1.990 1.00 0.00 C ATOM 911 O ILE A 115 11.019 -5.147 -0.780 1.00 0.00 O ATOM 912 CB ILE A 115 8.495 -4.285 -2.447 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.142 -4.683 -3.039 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.004 -3.004 -3.090 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.032 -3.705 -2.724 1.00 0.00 C ATOM 0 H ILE A 115 8.706 -6.612 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 115 9.672 -5.588 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 115 8.364 -4.106 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.240 -4.772 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.865 -5.668 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.270 -2.210 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.946 -2.713 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.161 -3.169 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.103 -4.052 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.906 -3.633 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.287 -2.724 -3.125 1.00 0.00 H new ATOM 927 N ASP A 116 11.757 -4.512 -2.808 1.00 0.00 N ATOM 928 CA ASP A 116 13.062 -4.081 -2.319 1.00 0.00 C ATOM 929 C ASP A 116 12.922 -2.890 -1.376 1.00 0.00 C ATOM 930 O ASP A 116 12.135 -1.972 -1.608 1.00 0.00 O ATOM 931 CB ASP A 116 13.974 -3.714 -3.491 1.00 0.00 C ATOM 932 CG ASP A 116 15.443 -3.794 -3.128 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.946 -4.921 -2.932 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.091 -2.730 -3.040 1.00 0.00 O ATOM 0 H ASP A 116 11.623 -4.394 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 116 13.507 -4.909 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.773 -4.383 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.740 -2.704 -3.827 1.00 0.00 H new ATOM 939 N PRO A 117 13.701 -2.904 -0.285 1.00 0.00 N ATOM 940 CA PRO A 117 13.682 -1.833 0.716 1.00 0.00 C ATOM 941 C PRO A 117 14.279 -0.534 0.186 1.00 0.00 C ATOM 942 O PRO A 117 14.329 0.471 0.895 1.00 0.00 O ATOM 943 CB PRO A 117 14.543 -2.393 1.851 1.00 0.00 C ATOM 944 CG PRO A 117 15.450 -3.373 1.191 1.00 0.00 C ATOM 945 CD PRO A 117 14.662 -3.966 0.056 1.00 0.00 C ATOM 0 HA PRO A 117 12.667 -1.576 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.107 -1.603 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.929 -2.873 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.353 -2.884 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.767 -4.145 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.302 -4.215 -0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.157 -4.884 0.355 1.00 0.00 H new ATOM 953 N GLU A 118 14.731 -0.562 -1.064 1.00 0.00 N ATOM 954 CA GLU A 118 15.325 0.615 -1.688 1.00 0.00 C ATOM 955 C GLU A 118 14.306 1.340 -2.563 1.00 0.00 C ATOM 956 O GLU A 118 14.516 2.486 -2.960 1.00 0.00 O ATOM 957 CB GLU A 118 16.542 0.216 -2.525 1.00 0.00 C ATOM 958 CG GLU A 118 17.637 -0.465 -1.722 1.00 0.00 C ATOM 959 CD GLU A 118 19.014 -0.259 -2.322 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.224 -0.670 -3.482 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.882 0.313 -1.629 1.00 0.00 O ATOM 0 H GLU A 118 14.697 -1.386 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 118 15.644 1.293 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.220 -0.452 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.953 1.106 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.628 -0.080 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.427 -1.533 -1.661 1.00 0.00 H new ATOM 968 N SER A 119 13.203 0.662 -2.861 1.00 0.00 N ATOM 969 CA SER A 119 12.153 1.238 -3.693 1.00 0.00 C ATOM 970 C SER A 119 11.104 1.940 -2.836 1.00 0.00 C ATOM 971 O SER A 119 10.374 2.808 -3.314 1.00 0.00 O ATOM 972 CB SER A 119 11.490 0.151 -4.541 1.00 0.00 C ATOM 973 OG SER A 119 10.837 0.710 -5.668 1.00 0.00 O ATOM 0 H SER A 119 13.013 -0.287 -2.539 1.00 0.00 H new ATOM 0 HA SER A 119 12.611 1.975 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.242 -0.566 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.770 -0.398 -3.935 1.00 0.00 H new ATOM 0 HG SER A 119 10.423 -0.005 -6.194 1.00 0.00 H new ATOM 979 N LYS A 120 11.035 1.557 -1.566 1.00 0.00 N ATOM 980 CA LYS A 120 10.078 2.149 -0.639 1.00 0.00 C ATOM 981 C LYS A 120 10.732 3.250 0.190 1.00 0.00 C ATOM 982 O LYS A 120 10.604 3.276 1.415 1.00 0.00 O ATOM 983 CB LYS A 120 9.501 1.075 0.286 1.00 0.00 C ATOM 984 CG LYS A 120 8.833 -0.071 -0.455 1.00 0.00 C ATOM 985 CD LYS A 120 8.729 -1.312 0.414 1.00 0.00 C ATOM 986 CE LYS A 120 7.656 -1.159 1.481 1.00 0.00 C ATOM 987 NZ LYS A 120 7.280 -2.468 2.083 1.00 0.00 N ATOM 0 H LYS A 120 11.631 0.839 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 120 9.270 2.590 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.301 0.676 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.775 1.536 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.837 0.234 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.401 -0.303 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.502 -2.176 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.691 -1.506 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.015 -0.490 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 120 6.773 -0.694 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.332 -2.742 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.969 -3.193 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.276 -2.385 3.120 1.00 0.00 H new ATOM 1001 N ILE A 121 11.430 4.157 -0.485 1.00 0.00 N ATOM 1002 CA ILE A 121 12.101 5.261 0.190 1.00 0.00 C ATOM 1003 C ILE A 121 11.411 6.587 -0.107 1.00 0.00 C ATOM 1004 O ILE A 121 10.919 6.810 -1.213 1.00 0.00 O ATOM 1005 CB ILE A 121 13.581 5.360 -0.228 1.00 0.00 C ATOM 1006 CG1 ILE A 121 14.282 4.016 -0.023 1.00 0.00 C ATOM 1007 CG2 ILE A 121 14.282 6.455 0.562 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.510 3.668 1.431 1.00 0.00 C ATOM 0 H ILE A 121 11.546 4.149 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 121 12.047 5.057 1.259 1.00 0.00 H new ATOM 0 HB ILE A 121 13.628 5.615 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.686 3.230 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.242 4.034 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.326 6.513 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.794 7.411 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 121 14.228 6.227 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.011 2.702 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.132 4.433 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.552 3.617 1.948 1.00 0.00 H new ATOM 1020 N LYS A 122 11.379 7.467 0.888 1.00 0.00 N ATOM 1021 CA LYS A 122 10.752 8.775 0.735 1.00 0.00 C ATOM 1022 C LYS A 122 11.783 9.891 0.870 1.00 0.00 C ATOM 1023 O LYS A 122 11.586 10.995 0.362 1.00 0.00 O ATOM 1024 CB LYS A 122 9.646 8.958 1.776 1.00 0.00 C ATOM 1025 CG LYS A 122 10.149 8.925 3.209 1.00 0.00 C ATOM 1026 CD LYS A 122 10.093 7.521 3.787 1.00 0.00 C ATOM 1027 CE LYS A 122 8.667 7.112 4.124 1.00 0.00 C ATOM 1028 NZ LYS A 122 8.624 5.863 4.934 1.00 0.00 N ATOM 0 H LYS A 122 11.780 7.298 1.810 1.00 0.00 H new ATOM 0 HA LYS A 122 10.315 8.827 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.144 9.909 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.900 8.174 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.174 9.293 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.548 9.596 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.515 6.815 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.708 7.472 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.178 7.917 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.104 6.966 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.635 5.618 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.067 5.088 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.140 6.009 5.825 1.00 0.00 H new ATOM 1042 N ASP A 123 12.881 9.597 1.556 1.00 0.00 N ATOM 1043 CA ASP A 123 13.944 10.575 1.756 1.00 0.00 C ATOM 1044 C ASP A 123 14.595 10.949 0.427 1.00 0.00 C ATOM 1045 O ASP A 123 14.564 12.109 0.015 1.00 0.00 O ATOM 1046 CB ASP A 123 14.998 10.026 2.718 1.00 0.00 C ATOM 1047 CG ASP A 123 16.185 10.957 2.869 1.00 0.00 C ATOM 1048 OD1 ASP A 123 16.118 11.871 3.717 1.00 0.00 O ATOM 1049 OD2 ASP A 123 17.181 10.772 2.138 1.00 0.00 O ATOM 0 H ASP A 123 13.059 8.688 1.984 1.00 0.00 H new ATOM 0 HA ASP A 123 13.502 11.472 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.543 9.861 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.344 9.057 2.359 1.00 0.00 H new ATOM 1054 N CYS A 124 15.183 9.960 -0.236 1.00 0.00 N ATOM 1055 CA CYS A 124 15.843 10.185 -1.517 1.00 0.00 C ATOM 1056 C CYS A 124 15.012 11.108 -2.402 1.00 0.00 C ATOM 1057 O CYS A 124 13.815 11.300 -2.189 1.00 0.00 O ATOM 1058 CB CYS A 124 16.085 8.854 -2.231 1.00 0.00 C ATOM 1059 SG CYS A 124 17.676 8.087 -1.844 1.00 0.00 S ATOM 0 H CYS A 124 15.216 8.995 0.092 1.00 0.00 H new ATOM 0 HA CYS A 124 16.803 10.664 -1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 124 15.286 8.161 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 124 16.024 9.015 -3.307 1.00 0.00 H new ATOM 0 HG CYS A 124 17.787 6.966 -2.494 1.00 0.00 H new ATOM 1065 N PRO A 125 15.660 11.694 -3.420 1.00 0.00 N ATOM 1066 CA PRO A 125 15.000 12.607 -4.358 1.00 0.00 C ATOM 1067 C PRO A 125 14.015 11.887 -5.272 1.00 0.00 C ATOM 1068 O PRO A 125 13.429 12.493 -6.169 1.00 0.00 O ATOM 1069 CB PRO A 125 16.163 13.181 -5.171 1.00 0.00 C ATOM 1070 CG PRO A 125 17.230 12.145 -5.089 1.00 0.00 C ATOM 1071 CD PRO A 125 17.087 11.510 -3.734 1.00 0.00 C ATOM 0 HA PRO A 125 14.408 13.363 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.870 13.367 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 125 16.502 14.132 -4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.117 11.405 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 125 18.217 12.591 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 125 17.361 10.455 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 125 17.727 11.992 -2.995 1.00 0.00 H new ATOM 1079 N TRP A 126 13.837 10.591 -5.038 1.00 0.00 N ATOM 1080 CA TRP A 126 12.921 9.789 -5.841 1.00 0.00 C ATOM 1081 C TRP A 126 12.056 8.899 -4.955 1.00 0.00 C ATOM 1082 O TRP A 126 12.552 8.268 -4.022 1.00 0.00 O ATOM 1083 CB TRP A 126 13.702 8.932 -6.839 1.00 0.00 C ATOM 1084 CG TRP A 126 15.075 8.567 -6.361 1.00 0.00 C ATOM 1085 CD1 TRP A 126 15.392 7.638 -5.411 1.00 0.00 C ATOM 1086 CD2 TRP A 126 16.315 9.125 -6.809 1.00 0.00 C ATOM 1087 NE1 TRP A 126 16.755 7.585 -5.242 1.00 0.00 N ATOM 1088 CE2 TRP A 126 17.343 8.487 -6.088 1.00 0.00 C ATOM 1089 CE3 TRP A 126 16.656 10.101 -7.749 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 18.688 8.795 -6.280 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 17.991 10.405 -7.938 1.00 0.00 C ATOM 1092 CH2 TRP A 126 18.993 9.754 -7.207 1.00 0.00 C ATOM 0 H TRP A 126 14.314 10.074 -4.300 1.00 0.00 H new ATOM 0 HA TRP A 126 12.268 10.468 -6.389 1.00 0.00 H new ATOM 0 HB2 TRP A 126 13.141 8.020 -7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 126 13.785 9.471 -7.783 1.00 0.00 H new ATOM 0 HD1 TRP A 126 14.677 7.034 -4.872 1.00 0.00 H new ATOM 0 HE1 TRP A 126 17.248 6.973 -4.592 1.00 0.00 H new ATOM 0 HE3 TRP A 126 15.891 10.608 -8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 19.462 8.295 -5.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 18.266 11.158 -8.662 1.00 0.00 H new ATOM 0 HH2 TRP A 126 20.027 10.014 -7.379 1.00 0.00 H new ATOM 1103 N SER A 127 10.762 8.853 -5.253 1.00 0.00 N ATOM 1104 CA SER A 127 9.828 8.043 -4.480 1.00 0.00 C ATOM 1105 C SER A 127 8.588 7.709 -5.304 1.00 0.00 C ATOM 1106 O SER A 127 8.341 8.312 -6.347 1.00 0.00 O ATOM 1107 CB SER A 127 9.421 8.776 -3.200 1.00 0.00 C ATOM 1108 OG SER A 127 8.949 7.868 -2.220 1.00 0.00 O ATOM 0 H SER A 127 10.336 9.367 -6.024 1.00 0.00 H new ATOM 0 HA SER A 127 10.328 7.112 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.274 9.329 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.645 9.507 -3.427 1.00 0.00 H new ATOM 0 HG SER A 127 9.667 7.246 -1.977 1.00 0.00 H new ATOM 1114 N GLY A 128 7.811 6.741 -4.826 1.00 0.00 N ATOM 1115 CA GLY A 128 6.606 6.342 -5.530 1.00 0.00 C ATOM 1116 C GLY A 128 6.873 5.286 -6.584 1.00 0.00 C ATOM 1117 O GLY A 128 7.940 4.674 -6.623 1.00 0.00 O ATOM 0 H GLY A 128 7.995 6.227 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.880 5.960 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.158 7.217 -6.002 1.00 0.00 H new ATOM 1121 N PRO A 129 5.886 5.060 -7.464 1.00 0.00 N ATOM 1122 CA PRO A 129 5.995 4.069 -8.539 1.00 0.00 C ATOM 1123 C PRO A 129 6.990 4.490 -9.615 1.00 0.00 C ATOM 1124 O PRO A 129 7.384 3.684 -10.458 1.00 0.00 O ATOM 1125 CB PRO A 129 4.578 4.012 -9.114 1.00 0.00 C ATOM 1126 CG PRO A 129 3.983 5.339 -8.790 1.00 0.00 C ATOM 1127 CD PRO A 129 4.587 5.753 -7.476 1.00 0.00 C ATOM 0 HA PRO A 129 6.360 3.109 -8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 129 4.594 3.838 -10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 129 4.002 3.201 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 129 4.206 6.068 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 129 2.897 5.273 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 129 4.708 6.834 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 129 3.963 5.452 -6.634 1.00 0.00 H new ATOM 1135 N SER A 130 7.393 5.756 -9.580 1.00 0.00 N ATOM 1136 CA SER A 130 8.340 6.284 -10.555 1.00 0.00 C ATOM 1137 C SER A 130 9.576 6.848 -9.861 1.00 0.00 C ATOM 1138 O SER A 130 9.488 7.807 -9.094 1.00 0.00 O ATOM 1139 CB SER A 130 7.677 7.370 -11.404 1.00 0.00 C ATOM 1140 OG SER A 130 8.593 7.918 -12.337 1.00 0.00 O ATOM 0 H SER A 130 7.078 6.435 -8.887 1.00 0.00 H new ATOM 0 HA SER A 130 8.651 5.465 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.821 6.951 -11.933 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.296 8.160 -10.757 1.00 0.00 H new ATOM 0 HG SER A 130 8.145 8.609 -12.868 1.00 0.00 H new ATOM 1146 N SER A 131 10.728 6.246 -10.136 1.00 0.00 N ATOM 1147 CA SER A 131 11.983 6.684 -9.537 1.00 0.00 C ATOM 1148 C SER A 131 13.045 6.918 -10.607 1.00 0.00 C ATOM 1149 O SER A 131 13.287 6.060 -11.455 1.00 0.00 O ATOM 1150 CB SER A 131 12.480 5.648 -8.527 1.00 0.00 C ATOM 1151 OG SER A 131 12.838 4.438 -9.173 1.00 0.00 O ATOM 0 H SER A 131 10.818 5.453 -10.771 1.00 0.00 H new ATOM 0 HA SER A 131 11.800 7.626 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.340 6.045 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 131 11.703 5.453 -7.788 1.00 0.00 H new ATOM 0 HG SER A 131 12.992 4.609 -10.126 1.00 0.00 H new ATOM 1157 N GLY A 132 13.675 8.088 -10.561 1.00 0.00 N ATOM 1158 CA GLY A 132 14.703 8.415 -11.532 1.00 0.00 C ATOM 1159 C GLY A 132 14.940 9.908 -11.645 1.00 0.00 C ATOM 1160 O GLY A 132 14.196 10.680 -11.041 1.00 0.00 O ATOM 0 H GLY A 132 13.492 8.815 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 132 15.634 7.923 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.416 8.021 -12.507 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.743 -10.429 7.485 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.129 -13.415 2.225 1.00 0.00 ZN