USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 MET CE :methyl -170:sc= -0.292 (180deg=-0.57) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-4.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 26:sc= 0.682 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 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.31 X(o=-2.3,f=-2) USER MOD Single : A 90 MET CE :methyl -162:sc= -0.0376 (180deg=-0.572) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.229 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 100 SER OG : rot -13:sc= -1.19 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot -56:sc= 0.136 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1.4) 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 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 120:sc= 1.3 USER MOD Single : A 127 SER OG : rot 20:sc= 0.693 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 48:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 2.845 14.495 11.075 1.00 0.00 N ATOM 2 CA GLY A 56 1.542 13.901 11.308 1.00 0.00 C ATOM 3 C GLY A 56 1.410 12.527 10.682 1.00 0.00 C ATOM 4 O GLY A 56 2.314 11.698 10.791 1.00 0.00 O ATOM 0 HA2 GLY A 56 1.367 13.826 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.770 14.556 10.904 1.00 0.00 H new ATOM 8 N SER A 57 0.280 12.283 10.025 1.00 0.00 N ATOM 9 CA SER A 57 0.031 10.998 9.384 1.00 0.00 C ATOM 10 C SER A 57 -0.381 11.188 7.927 1.00 0.00 C ATOM 11 O SER A 57 -0.587 12.313 7.471 1.00 0.00 O ATOM 12 CB SER A 57 -1.057 10.231 10.137 1.00 0.00 C ATOM 13 OG SER A 57 -0.514 9.529 11.242 1.00 0.00 O ATOM 0 H SER A 57 -0.477 12.959 9.923 1.00 0.00 H new ATOM 0 HA SER A 57 0.956 10.422 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.822 10.925 10.484 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.546 9.529 9.461 1.00 0.00 H new ATOM 0 HG SER A 57 -1.230 9.048 11.708 1.00 0.00 H new ATOM 19 N SER A 58 -0.500 10.081 7.202 1.00 0.00 N ATOM 20 CA SER A 58 -0.883 10.124 5.796 1.00 0.00 C ATOM 21 C SER A 58 -2.398 10.026 5.643 1.00 0.00 C ATOM 22 O SER A 58 -2.979 10.604 4.725 1.00 0.00 O ATOM 23 CB SER A 58 -0.207 8.989 5.025 1.00 0.00 C ATOM 24 OG SER A 58 1.186 9.217 4.899 1.00 0.00 O ATOM 0 H SER A 58 -0.336 9.142 7.565 1.00 0.00 H new ATOM 0 HA SER A 58 -0.554 11.078 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.379 8.043 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.655 8.900 4.035 1.00 0.00 H new ATOM 0 HG SER A 58 1.595 8.477 4.404 1.00 0.00 H new ATOM 30 N GLY A 59 -3.032 9.290 6.551 1.00 0.00 N ATOM 31 CA GLY A 59 -4.474 9.129 6.500 1.00 0.00 C ATOM 32 C GLY A 59 -4.961 7.993 7.378 1.00 0.00 C ATOM 33 O GLY A 59 -5.133 6.868 6.910 1.00 0.00 O ATOM 0 H GLY A 59 -2.573 8.803 7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.952 10.057 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.780 8.945 5.470 1.00 0.00 H new ATOM 37 N SER A 60 -5.184 8.288 8.654 1.00 0.00 N ATOM 38 CA SER A 60 -5.650 7.282 9.601 1.00 0.00 C ATOM 39 C SER A 60 -6.696 6.376 8.960 1.00 0.00 C ATOM 40 O SER A 60 -6.663 5.156 9.127 1.00 0.00 O ATOM 41 CB SER A 60 -6.234 7.954 10.846 1.00 0.00 C ATOM 42 OG SER A 60 -6.330 7.037 11.922 1.00 0.00 O ATOM 0 H SER A 60 -5.050 9.216 9.056 1.00 0.00 H new ATOM 0 HA SER A 60 -4.796 6.671 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.606 8.796 11.137 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.221 8.356 10.617 1.00 0.00 H new ATOM 0 HG SER A 60 -6.704 7.491 12.706 1.00 0.00 H new ATOM 48 N SER A 61 -7.624 6.981 8.226 1.00 0.00 N ATOM 49 CA SER A 61 -8.683 6.230 7.562 1.00 0.00 C ATOM 50 C SER A 61 -8.128 4.966 6.912 1.00 0.00 C ATOM 51 O SER A 61 -7.262 5.032 6.041 1.00 0.00 O ATOM 52 CB SER A 61 -9.370 7.100 6.508 1.00 0.00 C ATOM 53 OG SER A 61 -8.504 7.359 5.417 1.00 0.00 O ATOM 0 H SER A 61 -7.664 7.989 8.076 1.00 0.00 H new ATOM 0 HA SER A 61 -9.415 5.938 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.271 6.601 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.685 8.042 6.958 1.00 0.00 H new ATOM 0 HG SER A 61 -7.839 6.643 5.350 1.00 0.00 H new ATOM 59 N GLY A 62 -8.634 3.815 7.343 1.00 0.00 N ATOM 60 CA GLY A 62 -8.178 2.552 6.793 1.00 0.00 C ATOM 61 C GLY A 62 -9.244 1.860 5.968 1.00 0.00 C ATOM 62 O GLY A 62 -10.227 1.356 6.510 1.00 0.00 O ATOM 0 H GLY A 62 -9.352 3.735 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.299 2.726 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.869 1.895 7.606 1.00 0.00 H new ATOM 66 N GLU A 63 -9.051 1.836 4.653 1.00 0.00 N ATOM 67 CA GLU A 63 -10.006 1.203 3.752 1.00 0.00 C ATOM 68 C GLU A 63 -9.836 -0.314 3.757 1.00 0.00 C ATOM 69 O GLU A 63 -8.960 -0.849 4.436 1.00 0.00 O ATOM 70 CB GLU A 63 -9.834 1.741 2.330 1.00 0.00 C ATOM 71 CG GLU A 63 -8.405 1.665 1.819 1.00 0.00 C ATOM 72 CD GLU A 63 -8.312 1.854 0.317 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.646 0.904 -0.422 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.904 2.951 -0.119 1.00 0.00 O ATOM 0 H GLU A 63 -8.242 2.248 4.188 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.010 1.440 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.482 1.179 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.167 2.779 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.805 2.427 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.978 0.699 2.087 1.00 0.00 H new ATOM 81 N LYS A 64 -10.681 -1.001 2.996 1.00 0.00 N ATOM 82 CA LYS A 64 -10.626 -2.455 2.911 1.00 0.00 C ATOM 83 C LYS A 64 -9.374 -2.910 2.167 1.00 0.00 C ATOM 84 O LYS A 64 -9.149 -4.106 1.982 1.00 0.00 O ATOM 85 CB LYS A 64 -11.874 -2.993 2.207 1.00 0.00 C ATOM 86 CG LYS A 64 -13.171 -2.408 2.738 1.00 0.00 C ATOM 87 CD LYS A 64 -14.383 -3.069 2.101 1.00 0.00 C ATOM 88 CE LYS A 64 -14.654 -4.437 2.708 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.512 -5.275 1.825 1.00 0.00 N ATOM 0 H LYS A 64 -11.413 -0.573 2.429 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.589 -2.852 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.799 -2.781 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.903 -4.077 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.213 -2.535 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.195 -1.336 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.257 -2.432 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.221 -3.171 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.708 -4.949 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.139 -4.315 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.674 -6.199 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.424 -4.799 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.038 -5.413 0.910 1.00 0.00 H new ATOM 103 N THR A 65 -8.561 -1.947 1.743 1.00 0.00 N ATOM 104 CA THR A 65 -7.332 -2.249 1.020 1.00 0.00 C ATOM 105 C THR A 65 -6.724 -3.564 1.494 1.00 0.00 C ATOM 106 O THR A 65 -6.144 -4.311 0.705 1.00 0.00 O ATOM 107 CB THR A 65 -6.292 -1.125 1.187 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.117 -1.428 0.426 1.00 0.00 O ATOM 109 CG2 THR A 65 -5.921 -0.945 2.652 1.00 0.00 C ATOM 0 H THR A 65 -8.732 -0.952 1.888 1.00 0.00 H new ATOM 0 HA THR A 65 -7.598 -2.334 -0.034 1.00 0.00 H new ATOM 0 HB THR A 65 -6.731 -0.196 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.461 -0.708 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.185 -0.146 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.812 -0.686 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.499 -1.873 3.037 1.00 0.00 H new ATOM 117 N VAL A 66 -6.860 -3.842 2.787 1.00 0.00 N ATOM 118 CA VAL A 66 -6.325 -5.068 3.365 1.00 0.00 C ATOM 119 C VAL A 66 -7.364 -6.183 3.347 1.00 0.00 C ATOM 120 O VAL A 66 -8.551 -5.944 3.569 1.00 0.00 O ATOM 121 CB VAL A 66 -5.852 -4.846 4.814 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.564 -6.176 5.493 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.625 -3.947 4.842 1.00 0.00 C ATOM 0 H VAL A 66 -7.336 -3.234 3.454 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.472 -5.360 2.753 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.651 -4.350 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.231 -5.998 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.470 -6.781 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.784 -6.703 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.304 -3.801 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.820 -4.413 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.871 -2.982 4.398 1.00 0.00 H new ATOM 133 N VAL A 67 -6.910 -7.404 3.081 1.00 0.00 N ATOM 134 CA VAL A 67 -7.800 -8.558 3.035 1.00 0.00 C ATOM 135 C VAL A 67 -8.000 -9.154 4.424 1.00 0.00 C ATOM 136 O VAL A 67 -7.041 -9.558 5.082 1.00 0.00 O ATOM 137 CB VAL A 67 -7.257 -9.649 2.094 1.00 0.00 C ATOM 138 CG1 VAL A 67 -8.031 -10.946 2.276 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.316 -9.182 0.647 1.00 0.00 C ATOM 0 H VAL A 67 -5.931 -7.619 2.894 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.758 -8.203 2.654 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.214 -9.838 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.633 -11.705 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.932 -11.287 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.084 -10.776 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.928 -9.965 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.349 -8.964 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.713 -8.282 0.530 1.00 0.00 H new ATOM 149 N CYS A 68 -9.252 -9.205 4.866 1.00 0.00 N ATOM 150 CA CYS A 68 -9.579 -9.752 6.177 1.00 0.00 C ATOM 151 C CYS A 68 -8.757 -11.005 6.465 1.00 0.00 C ATOM 152 O CYS A 68 -8.598 -11.869 5.602 1.00 0.00 O ATOM 153 CB CYS A 68 -11.072 -10.078 6.259 1.00 0.00 C ATOM 154 SG CYS A 68 -11.693 -10.296 7.957 1.00 0.00 S ATOM 0 H CYS A 68 -10.057 -8.874 4.335 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.336 -9.000 6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.635 -9.278 5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.266 -10.989 5.693 1.00 0.00 H new ATOM 159 N LYS A 69 -8.236 -11.096 7.684 1.00 0.00 N ATOM 160 CA LYS A 69 -7.431 -12.243 8.088 1.00 0.00 C ATOM 161 C LYS A 69 -8.319 -13.407 8.516 1.00 0.00 C ATOM 162 O LYS A 69 -7.941 -14.571 8.381 1.00 0.00 O ATOM 163 CB LYS A 69 -6.493 -11.855 9.233 1.00 0.00 C ATOM 164 CG LYS A 69 -7.218 -11.346 10.467 1.00 0.00 C ATOM 165 CD LYS A 69 -6.351 -10.387 11.267 1.00 0.00 C ATOM 166 CE LYS A 69 -6.272 -9.021 10.602 1.00 0.00 C ATOM 167 NZ LYS A 69 -7.441 -8.167 10.948 1.00 0.00 N ATOM 0 H LYS A 69 -8.357 -10.389 8.409 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.837 -12.559 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.890 -12.721 9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.805 -11.086 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.138 -10.843 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.505 -12.189 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.757 -10.280 12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.348 -10.801 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.353 -8.521 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.221 -9.146 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.349 -7.245 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.316 -8.632 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.475 -8.026 11.978 1.00 0.00 H new ATOM 181 N HIS A 70 -9.501 -13.086 9.031 1.00 0.00 N ATOM 182 CA HIS A 70 -10.444 -14.106 9.477 1.00 0.00 C ATOM 183 C HIS A 70 -11.049 -14.843 8.286 1.00 0.00 C ATOM 184 O HIS A 70 -10.897 -16.058 8.154 1.00 0.00 O ATOM 185 CB HIS A 70 -11.554 -13.473 10.317 1.00 0.00 C ATOM 186 CG HIS A 70 -11.048 -12.520 11.357 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.438 -11.323 11.048 1.00 0.00 N ATOM 188 CD2 HIS A 70 -11.067 -12.594 12.708 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.101 -10.702 12.164 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.473 -11.452 13.186 1.00 0.00 N ATOM 0 H HIS A 70 -9.829 -12.128 9.150 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.901 -14.825 10.090 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.242 -12.946 9.657 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.124 -14.263 10.806 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.474 -13.401 13.300 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.606 -9.744 12.230 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.340 -11.220 14.170 1.00 0.00 H new ATOM 198 N TRP A 71 -11.736 -14.102 7.424 1.00 0.00 N ATOM 199 CA TRP A 71 -12.365 -14.687 6.245 1.00 0.00 C ATOM 200 C TRP A 71 -11.435 -15.693 5.575 1.00 0.00 C ATOM 201 O TRP A 71 -11.872 -16.752 5.124 1.00 0.00 O ATOM 202 CB TRP A 71 -12.752 -13.590 5.252 1.00 0.00 C ATOM 203 CG TRP A 71 -12.848 -14.077 3.837 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.947 -14.612 3.227 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.804 -14.076 2.858 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.649 -14.943 1.928 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.341 -14.623 1.676 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.469 -13.664 2.863 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.587 -14.768 0.514 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.722 -13.809 1.709 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.283 -14.357 0.548 1.00 0.00 C ATOM 0 H TRP A 71 -11.872 -13.096 7.519 1.00 0.00 H new ATOM 0 HA TRP A 71 -13.265 -15.211 6.565 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.711 -13.164 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.016 -12.787 5.303 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.909 -14.754 3.697 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.297 -15.360 1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.028 -13.240 3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.017 -15.190 -0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.689 -13.495 1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.673 -14.457 -0.338 1.00 0.00 H new ATOM 222 N LEU A 72 -10.152 -15.355 5.512 1.00 0.00 N ATOM 223 CA LEU A 72 -9.160 -16.230 4.896 1.00 0.00 C ATOM 224 C LEU A 72 -9.399 -17.685 5.288 1.00 0.00 C ATOM 225 O LEU A 72 -9.730 -18.519 4.445 1.00 0.00 O ATOM 226 CB LEU A 72 -7.750 -15.804 5.308 1.00 0.00 C ATOM 227 CG LEU A 72 -7.159 -14.615 4.549 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.932 -14.078 5.269 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.811 -15.013 3.122 1.00 0.00 C ATOM 0 H LEU A 72 -9.774 -14.482 5.880 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.257 -16.144 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.761 -15.562 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.083 -16.657 5.183 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.908 -13.824 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.525 -13.233 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.211 -13.754 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.178 -14.863 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.392 -14.155 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.080 -15.821 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.712 -15.348 2.608 1.00 0.00 H new ATOM 241 N ARG A 73 -9.230 -17.981 6.573 1.00 0.00 N ATOM 242 CA ARG A 73 -9.429 -19.335 7.076 1.00 0.00 C ATOM 243 C ARG A 73 -10.893 -19.573 7.434 1.00 0.00 C ATOM 244 O ARG A 73 -11.232 -20.567 8.075 1.00 0.00 O ATOM 245 CB ARG A 73 -8.547 -19.580 8.302 1.00 0.00 C ATOM 246 CG ARG A 73 -7.105 -19.917 7.958 1.00 0.00 C ATOM 247 CD ARG A 73 -6.325 -18.676 7.554 1.00 0.00 C ATOM 248 NE ARG A 73 -4.961 -18.997 7.140 1.00 0.00 N ATOM 249 CZ ARG A 73 -4.079 -18.086 6.747 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.415 -16.804 6.714 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.857 -18.456 6.386 1.00 0.00 N ATOM 0 H ARG A 73 -8.956 -17.302 7.284 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.148 -20.034 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.563 -18.692 8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.972 -20.395 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.625 -20.386 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.084 -20.642 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.843 -18.172 6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.295 -17.978 8.391 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.671 -19.975 7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.353 -16.515 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.735 -16.106 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.594 -19.441 6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.180 -17.755 6.084 1.00 0.00 H new ATOM 265 N GLY A 74 -11.756 -18.653 7.015 1.00 0.00 N ATOM 266 CA GLY A 74 -13.174 -18.781 7.301 1.00 0.00 C ATOM 267 C GLY A 74 -13.497 -18.521 8.758 1.00 0.00 C ATOM 268 O GLY A 74 -14.152 -19.334 9.412 1.00 0.00 O ATOM 0 H GLY A 74 -11.499 -17.822 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.732 -18.082 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.507 -19.783 7.032 1.00 0.00 H new ATOM 272 N LEU A 75 -13.035 -17.385 9.271 1.00 0.00 N ATOM 273 CA LEU A 75 -13.278 -17.020 10.663 1.00 0.00 C ATOM 274 C LEU A 75 -14.055 -15.711 10.755 1.00 0.00 C ATOM 275 O LEU A 75 -13.958 -14.987 11.746 1.00 0.00 O ATOM 276 CB LEU A 75 -11.952 -16.894 11.416 1.00 0.00 C ATOM 277 CG LEU A 75 -11.137 -18.179 11.561 1.00 0.00 C ATOM 278 CD1 LEU A 75 -11.927 -19.228 12.329 1.00 0.00 C ATOM 279 CD2 LEU A 75 -10.731 -18.711 10.194 1.00 0.00 C ATOM 0 H LEU A 75 -12.491 -16.702 8.745 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.876 -17.808 11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.337 -16.153 10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.159 -16.505 12.413 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.232 -17.950 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.331 -20.136 12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.167 -18.848 13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.849 -19.453 11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.152 -19.626 10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.624 -18.923 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.126 -17.965 9.678 1.00 0.00 H new ATOM 291 N CYS A 76 -14.828 -15.414 9.716 1.00 0.00 N ATOM 292 CA CYS A 76 -15.624 -14.193 9.679 1.00 0.00 C ATOM 293 C CYS A 76 -17.062 -14.494 9.267 1.00 0.00 C ATOM 294 O CYS A 76 -17.310 -15.340 8.408 1.00 0.00 O ATOM 295 CB CYS A 76 -15.005 -13.184 8.709 1.00 0.00 C ATOM 296 SG CYS A 76 -15.343 -11.445 9.130 1.00 0.00 S ATOM 0 H CYS A 76 -14.920 -16.002 8.888 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.633 -13.765 10.681 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.926 -13.337 8.682 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.381 -13.383 7.705 1.00 0.00 H new ATOM 301 N LYS A 77 -18.008 -13.795 9.886 1.00 0.00 N ATOM 302 CA LYS A 77 -19.422 -13.984 9.585 1.00 0.00 C ATOM 303 C LYS A 77 -20.062 -12.675 9.134 1.00 0.00 C ATOM 304 O LYS A 77 -21.257 -12.456 9.334 1.00 0.00 O ATOM 305 CB LYS A 77 -20.157 -14.529 10.811 1.00 0.00 C ATOM 306 CG LYS A 77 -20.038 -16.034 10.974 1.00 0.00 C ATOM 307 CD LYS A 77 -20.817 -16.775 9.900 1.00 0.00 C ATOM 308 CE LYS A 77 -20.192 -18.126 9.589 1.00 0.00 C ATOM 309 NZ LYS A 77 -21.059 -18.946 8.699 1.00 0.00 N ATOM 0 H LYS A 77 -17.820 -13.091 10.600 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.502 -14.705 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.765 -14.043 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.211 -14.262 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.988 -16.324 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.407 -16.325 11.958 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.847 -16.916 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.852 -16.172 8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.222 -17.977 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.012 -18.666 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.598 -19.859 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.976 -19.110 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.210 -18.443 7.802 1.00 0.00 H new ATOM 323 N LYS A 78 -19.260 -11.809 8.524 1.00 0.00 N ATOM 324 CA LYS A 78 -19.749 -10.522 8.042 1.00 0.00 C ATOM 325 C LYS A 78 -19.878 -10.524 6.522 1.00 0.00 C ATOM 326 O LYS A 78 -20.975 -10.387 5.983 1.00 0.00 O ATOM 327 CB LYS A 78 -18.808 -9.399 8.483 1.00 0.00 C ATOM 328 CG LYS A 78 -18.626 -9.313 9.988 1.00 0.00 C ATOM 329 CD LYS A 78 -17.838 -8.076 10.386 1.00 0.00 C ATOM 330 CE LYS A 78 -18.194 -7.616 11.791 1.00 0.00 C ATOM 331 NZ LYS A 78 -17.043 -6.954 12.466 1.00 0.00 N ATOM 0 H LYS A 78 -18.268 -11.975 8.352 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.736 -10.351 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.835 -9.548 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.195 -8.448 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.602 -9.295 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -18.110 -10.204 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.771 -8.290 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -18.038 -7.272 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -19.035 -6.924 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.518 -8.472 12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.326 -6.655 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.249 -7.622 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.749 -6.122 11.915 1.00 0.00 H new ATOM 345 N GLY A 79 -18.750 -10.683 5.837 1.00 0.00 N ATOM 346 CA GLY A 79 -18.760 -10.701 4.386 1.00 0.00 C ATOM 347 C GLY A 79 -18.776 -9.308 3.788 1.00 0.00 C ATOM 348 O GLY A 79 -17.750 -8.627 3.756 1.00 0.00 O ATOM 0 H GLY A 79 -17.830 -10.800 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.882 -11.237 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.634 -11.252 4.039 1.00 0.00 H new ATOM 352 N ASP A 80 -19.941 -8.883 3.313 1.00 0.00 N ATOM 353 CA ASP A 80 -20.086 -7.562 2.712 1.00 0.00 C ATOM 354 C ASP A 80 -20.157 -6.481 3.787 1.00 0.00 C ATOM 355 O ASP A 80 -20.100 -5.290 3.487 1.00 0.00 O ATOM 356 CB ASP A 80 -21.338 -7.510 1.836 1.00 0.00 C ATOM 357 CG ASP A 80 -21.414 -6.243 1.008 1.00 0.00 C ATOM 358 OD1 ASP A 80 -21.987 -5.247 1.498 1.00 0.00 O ATOM 359 OD2 ASP A 80 -20.900 -6.247 -0.130 1.00 0.00 O ATOM 0 H ASP A 80 -20.799 -9.434 3.332 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.210 -7.375 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.350 -8.375 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -22.223 -7.581 2.468 1.00 0.00 H new ATOM 364 N GLN A 81 -20.283 -6.908 5.040 1.00 0.00 N ATOM 365 CA GLN A 81 -20.364 -5.976 6.159 1.00 0.00 C ATOM 366 C GLN A 81 -18.991 -5.757 6.785 1.00 0.00 C ATOM 367 O GLN A 81 -18.743 -4.730 7.418 1.00 0.00 O ATOM 368 CB GLN A 81 -21.342 -6.497 7.213 1.00 0.00 C ATOM 369 CG GLN A 81 -22.782 -6.557 6.731 1.00 0.00 C ATOM 370 CD GLN A 81 -23.058 -7.769 5.863 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.137 -8.894 6.356 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.206 -7.545 4.563 1.00 0.00 N ATOM 0 H GLN A 81 -20.331 -7.892 5.305 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.726 -5.021 5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.030 -7.494 7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.289 -5.857 8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.449 -6.573 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.010 -5.652 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.132 -6.596 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.393 -8.322 3.930 1.00 0.00 H new ATOM 381 N CYS A 82 -18.103 -6.728 6.606 1.00 0.00 N ATOM 382 CA CYS A 82 -16.754 -6.643 7.154 1.00 0.00 C ATOM 383 C CYS A 82 -16.102 -5.312 6.789 1.00 0.00 C ATOM 384 O CYS A 82 -16.585 -4.593 5.915 1.00 0.00 O ATOM 385 CB CYS A 82 -15.898 -7.801 6.639 1.00 0.00 C ATOM 386 SG CYS A 82 -14.317 -8.006 7.521 1.00 0.00 S ATOM 0 H CYS A 82 -18.293 -7.584 6.085 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.825 -6.708 8.240 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.470 -8.726 6.720 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.693 -7.645 5.580 1.00 0.00 H new ATOM 391 N GLU A 83 -15.004 -4.993 7.466 1.00 0.00 N ATOM 392 CA GLU A 83 -14.286 -3.749 7.213 1.00 0.00 C ATOM 393 C GLU A 83 -13.079 -3.990 6.311 1.00 0.00 C ATOM 394 O GLU A 83 -12.463 -3.047 5.815 1.00 0.00 O ATOM 395 CB GLU A 83 -13.834 -3.118 8.532 1.00 0.00 C ATOM 396 CG GLU A 83 -13.301 -4.126 9.537 1.00 0.00 C ATOM 397 CD GLU A 83 -12.227 -3.542 10.435 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.409 -2.740 9.937 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.205 -3.887 11.635 1.00 0.00 O ATOM 0 H GLU A 83 -14.592 -5.578 8.193 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.965 -3.064 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.060 -2.379 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.674 -2.584 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.124 -4.491 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.896 -4.986 9.004 1.00 0.00 H new ATOM 406 N PHE A 84 -12.747 -5.260 6.105 1.00 0.00 N ATOM 407 CA PHE A 84 -11.613 -5.627 5.264 1.00 0.00 C ATOM 408 C PHE A 84 -12.080 -6.354 4.007 1.00 0.00 C ATOM 409 O PHE A 84 -13.226 -6.799 3.923 1.00 0.00 O ATOM 410 CB PHE A 84 -10.637 -6.510 6.045 1.00 0.00 C ATOM 411 CG PHE A 84 -10.000 -5.813 7.213 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.597 -5.840 8.463 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.804 -5.130 7.061 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.014 -5.200 9.540 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.216 -4.489 8.134 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.822 -4.522 9.375 1.00 0.00 C ATOM 0 H PHE A 84 -13.247 -6.052 6.509 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.104 -4.711 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.166 -7.393 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.855 -6.859 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.530 -6.368 8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.326 -5.098 6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.490 -5.230 10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.282 -3.962 8.003 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.365 -4.019 10.214 1.00 0.00 H new ATOM 426 N LEU A 85 -11.186 -6.469 3.031 1.00 0.00 N ATOM 427 CA LEU A 85 -11.506 -7.142 1.776 1.00 0.00 C ATOM 428 C LEU A 85 -11.591 -8.652 1.974 1.00 0.00 C ATOM 429 O LEU A 85 -10.834 -9.230 2.754 1.00 0.00 O ATOM 430 CB LEU A 85 -10.454 -6.813 0.716 1.00 0.00 C ATOM 431 CG LEU A 85 -10.605 -5.462 0.017 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.288 -5.036 -0.614 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.705 -5.525 -1.033 1.00 0.00 C ATOM 0 H LEU A 85 -10.234 -6.105 3.084 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.478 -6.784 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.471 -6.849 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.474 -7.596 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.884 -4.718 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.416 -4.072 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.525 -4.950 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.978 -5.780 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.799 -4.555 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.455 -6.282 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.650 -5.784 -0.555 1.00 0.00 H new ATOM 445 N HIS A 86 -12.516 -9.286 1.260 1.00 0.00 N ATOM 446 CA HIS A 86 -12.697 -10.730 1.355 1.00 0.00 C ATOM 447 C HIS A 86 -12.262 -11.418 0.065 1.00 0.00 C ATOM 448 O HIS A 86 -12.735 -12.507 -0.258 1.00 0.00 O ATOM 449 CB HIS A 86 -14.159 -11.063 1.656 1.00 0.00 C ATOM 450 CG HIS A 86 -14.499 -11.001 3.113 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.616 -11.604 3.652 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.861 -10.404 4.147 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.651 -11.379 4.953 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.597 -10.654 5.279 1.00 0.00 N ATOM 0 H HIS A 86 -13.151 -8.823 0.610 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.073 -11.097 2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.801 -10.370 1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.380 -12.063 1.282 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.307 -12.140 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.944 -9.837 4.092 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.412 -11.729 5.634 1.00 0.00 H new ATOM 462 N GLU A 87 -11.360 -10.774 -0.669 1.00 0.00 N ATOM 463 CA GLU A 87 -10.863 -11.324 -1.924 1.00 0.00 C ATOM 464 C GLU A 87 -9.338 -11.384 -1.927 1.00 0.00 C ATOM 465 O GLU A 87 -8.668 -10.437 -1.516 1.00 0.00 O ATOM 466 CB GLU A 87 -11.353 -10.483 -3.105 1.00 0.00 C ATOM 467 CG GLU A 87 -10.649 -9.143 -3.231 1.00 0.00 C ATOM 468 CD GLU A 87 -10.955 -8.444 -4.541 1.00 0.00 C ATOM 469 OE1 GLU A 87 -12.134 -8.444 -4.953 1.00 0.00 O ATOM 470 OE2 GLU A 87 -10.015 -7.897 -5.155 1.00 0.00 O ATOM 0 H GLU A 87 -10.959 -9.871 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.249 -12.338 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.210 -11.047 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.424 -10.313 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.948 -8.501 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.573 -9.293 -3.146 1.00 0.00 H new ATOM 477 N TYR A 88 -8.797 -12.505 -2.392 1.00 0.00 N ATOM 478 CA TYR A 88 -7.352 -12.691 -2.445 1.00 0.00 C ATOM 479 C TYR A 88 -6.751 -11.947 -3.634 1.00 0.00 C ATOM 480 O TYR A 88 -6.851 -12.396 -4.776 1.00 0.00 O ATOM 481 CB TYR A 88 -7.011 -14.179 -2.535 1.00 0.00 C ATOM 482 CG TYR A 88 -5.720 -14.548 -1.839 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.497 -14.410 -2.483 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.724 -15.035 -0.538 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.315 -14.746 -1.852 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.547 -15.372 0.102 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.345 -15.226 -0.559 1.00 0.00 C ATOM 488 OH TYR A 88 -2.170 -15.562 0.074 1.00 0.00 O ATOM 0 H TYR A 88 -9.337 -13.298 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.925 -12.282 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.826 -14.757 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.942 -14.465 -3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.470 -14.033 -3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.663 -15.152 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.373 -14.634 -2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.568 -15.748 1.114 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.366 -15.882 0.979 1.00 0.00 H new ATOM 498 N ASP A 89 -6.125 -10.809 -3.356 1.00 0.00 N ATOM 499 CA ASP A 89 -5.505 -10.003 -4.401 1.00 0.00 C ATOM 500 C ASP A 89 -4.045 -9.712 -4.069 1.00 0.00 C ATOM 501 O ASP A 89 -3.735 -9.176 -3.005 1.00 0.00 O ATOM 502 CB ASP A 89 -6.270 -8.691 -4.584 1.00 0.00 C ATOM 503 CG ASP A 89 -6.238 -8.197 -6.017 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.243 -8.475 -6.719 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.209 -7.534 -6.438 1.00 0.00 O ATOM 0 H ASP A 89 -6.033 -10.424 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.541 -10.569 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.306 -8.831 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.842 -7.930 -3.931 1.00 0.00 H new ATOM 510 N MET A 90 -3.152 -10.070 -4.986 1.00 0.00 N ATOM 511 CA MET A 90 -1.724 -9.848 -4.790 1.00 0.00 C ATOM 512 C MET A 90 -1.411 -8.357 -4.718 1.00 0.00 C ATOM 513 O MET A 90 -0.317 -7.960 -4.316 1.00 0.00 O ATOM 514 CB MET A 90 -0.925 -10.495 -5.923 1.00 0.00 C ATOM 515 CG MET A 90 -1.192 -11.983 -6.082 1.00 0.00 C ATOM 516 SD MET A 90 -1.003 -12.892 -4.536 1.00 0.00 S ATOM 517 CE MET A 90 0.683 -12.473 -4.101 1.00 0.00 C ATOM 0 H MET A 90 -3.392 -10.515 -5.872 1.00 0.00 H new ATOM 0 HA MET A 90 -1.436 -10.308 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.163 -9.989 -6.859 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.139 -10.343 -5.740 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.203 -12.128 -6.463 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.509 -12.393 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.057 -13.186 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.308 -12.509 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.711 -11.469 -3.678 1.00 0.00 H new ATOM 527 N THR A 91 -2.379 -7.534 -5.111 1.00 0.00 N ATOM 528 CA THR A 91 -2.206 -6.087 -5.092 1.00 0.00 C ATOM 529 C THR A 91 -2.821 -5.475 -3.839 1.00 0.00 C ATOM 530 O THR A 91 -2.158 -4.745 -3.102 1.00 0.00 O ATOM 531 CB THR A 91 -2.838 -5.430 -6.334 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.244 -5.700 -6.369 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.186 -5.942 -7.609 1.00 0.00 C ATOM 0 H THR A 91 -3.291 -7.845 -5.446 1.00 0.00 H new ATOM 0 HA THR A 91 -1.133 -5.897 -5.095 1.00 0.00 H new ATOM 0 HB THR A 91 -2.676 -4.354 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.639 -5.278 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.649 -5.464 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.121 -5.708 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.319 -7.022 -7.678 1.00 0.00 H new ATOM 541 N LYS A 92 -4.093 -5.778 -3.602 1.00 0.00 N ATOM 542 CA LYS A 92 -4.799 -5.260 -2.436 1.00 0.00 C ATOM 543 C LYS A 92 -4.178 -5.787 -1.146 1.00 0.00 C ATOM 544 O LYS A 92 -4.039 -5.053 -0.168 1.00 0.00 O ATOM 545 CB LYS A 92 -6.278 -5.645 -2.497 1.00 0.00 C ATOM 546 CG LYS A 92 -6.985 -5.149 -3.747 1.00 0.00 C ATOM 547 CD LYS A 92 -7.595 -3.774 -3.534 1.00 0.00 C ATOM 548 CE LYS A 92 -6.523 -2.709 -3.360 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.055 -1.341 -3.612 1.00 0.00 N ATOM 0 H LYS A 92 -4.656 -6.380 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.713 -4.173 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.365 -6.730 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.786 -5.244 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.277 -5.110 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.766 -5.855 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.227 -3.520 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.237 -3.792 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.120 -2.761 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.698 -2.909 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.294 -0.644 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.417 -1.283 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.826 -1.140 -2.943 1.00 0.00 H new ATOM 563 N MET A 93 -3.806 -7.063 -1.152 1.00 0.00 N ATOM 564 CA MET A 93 -3.198 -7.687 0.018 1.00 0.00 C ATOM 565 C MET A 93 -1.898 -6.983 0.395 1.00 0.00 C ATOM 566 O MET A 93 -1.202 -6.419 -0.449 1.00 0.00 O ATOM 567 CB MET A 93 -2.929 -9.169 -0.250 1.00 0.00 C ATOM 568 CG MET A 93 -1.623 -9.427 -0.984 1.00 0.00 C ATOM 569 SD MET A 93 -1.372 -11.172 -1.362 1.00 0.00 S ATOM 570 CE MET A 93 -1.324 -11.872 0.286 1.00 0.00 C ATOM 0 H MET A 93 -3.915 -7.685 -1.953 1.00 0.00 H new ATOM 0 HA MET A 93 -3.895 -7.596 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.915 -9.705 0.699 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.752 -9.579 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.612 -8.853 -1.911 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.792 -9.068 -0.377 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.999 -12.911 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.625 -11.306 0.902 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.318 -11.826 0.730 1.00 0.00 H new ATOM 580 N PRO A 94 -1.563 -7.014 1.694 1.00 0.00 N ATOM 581 CA PRO A 94 -0.345 -6.384 2.212 1.00 0.00 C ATOM 582 C PRO A 94 0.919 -7.111 1.767 1.00 0.00 C ATOM 583 O PRO A 94 0.877 -8.293 1.425 1.00 0.00 O ATOM 584 CB PRO A 94 -0.513 -6.483 3.730 1.00 0.00 C ATOM 585 CG PRO A 94 -1.415 -7.651 3.936 1.00 0.00 C ATOM 586 CD PRO A 94 -2.346 -7.668 2.755 1.00 0.00 C ATOM 0 HA PRO A 94 -0.228 -5.363 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.446 -6.631 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.946 -5.571 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.845 -8.578 3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.970 -7.556 4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.626 -8.685 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.270 -7.128 2.964 1.00 0.00 H new ATOM 594 N GLU A 95 2.041 -6.398 1.775 1.00 0.00 N ATOM 595 CA GLU A 95 3.316 -6.978 1.372 1.00 0.00 C ATOM 596 C GLU A 95 3.903 -7.835 2.490 1.00 0.00 C ATOM 597 O GLU A 95 3.422 -7.810 3.624 1.00 0.00 O ATOM 598 CB GLU A 95 4.305 -5.875 0.988 1.00 0.00 C ATOM 599 CG GLU A 95 3.787 -4.943 -0.095 1.00 0.00 C ATOM 600 CD GLU A 95 2.768 -3.950 0.428 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.178 -2.962 1.072 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.560 -4.161 0.192 1.00 0.00 O ATOM 0 H GLU A 95 2.093 -5.419 2.056 1.00 0.00 H new ATOM 0 HA GLU A 95 3.138 -7.615 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.545 -5.289 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.233 -6.333 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.625 -4.401 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.337 -5.534 -0.893 1.00 0.00 H new ATOM 609 N CYS A 96 4.944 -8.593 2.163 1.00 0.00 N ATOM 610 CA CYS A 96 5.596 -9.459 3.137 1.00 0.00 C ATOM 611 C CYS A 96 6.095 -8.653 4.333 1.00 0.00 C ATOM 612 O CYS A 96 6.977 -7.805 4.199 1.00 0.00 O ATOM 613 CB CYS A 96 6.764 -10.204 2.487 1.00 0.00 C ATOM 614 SG CYS A 96 7.393 -11.603 3.470 1.00 0.00 S ATOM 0 H CYS A 96 5.354 -8.625 1.230 1.00 0.00 H new ATOM 0 HA CYS A 96 4.863 -10.184 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.448 -10.573 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.578 -9.500 2.314 1.00 0.00 H new ATOM 619 N TYR A 97 5.524 -8.925 5.502 1.00 0.00 N ATOM 620 CA TYR A 97 5.909 -8.224 6.721 1.00 0.00 C ATOM 621 C TYR A 97 7.421 -8.265 6.919 1.00 0.00 C ATOM 622 O TYR A 97 8.027 -7.290 7.363 1.00 0.00 O ATOM 623 CB TYR A 97 5.208 -8.843 7.932 1.00 0.00 C ATOM 624 CG TYR A 97 5.988 -8.703 9.220 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.485 -7.470 9.624 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.229 -9.805 10.032 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.199 -7.338 10.799 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.940 -9.682 11.209 1.00 0.00 C ATOM 629 CZ TYR A 97 7.424 -8.447 11.589 1.00 0.00 C ATOM 630 OH TYR A 97 8.134 -8.321 12.760 1.00 0.00 O ATOM 0 H TYR A 97 4.794 -9.625 5.631 1.00 0.00 H new ATOM 0 HA TYR A 97 5.602 -7.183 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.232 -8.374 8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.031 -9.901 7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.310 -6.600 9.009 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.854 -10.774 9.737 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.579 -6.372 11.098 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.117 -10.548 11.829 1.00 0.00 H new ATOM 0 HH TYR A 97 8.202 -9.195 13.197 1.00 0.00 H new ATOM 640 N PHE A 98 8.024 -9.401 6.586 1.00 0.00 N ATOM 641 CA PHE A 98 9.466 -9.571 6.727 1.00 0.00 C ATOM 642 C PHE A 98 10.216 -8.734 5.694 1.00 0.00 C ATOM 643 O PHE A 98 10.949 -7.809 6.044 1.00 0.00 O ATOM 644 CB PHE A 98 9.844 -11.046 6.576 1.00 0.00 C ATOM 645 CG PHE A 98 9.304 -11.919 7.672 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.887 -11.916 8.929 1.00 0.00 C ATOM 647 CD2 PHE A 98 8.213 -12.743 7.446 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.392 -12.717 9.941 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.714 -13.546 8.454 1.00 0.00 C ATOM 650 CZ PHE A 98 8.305 -13.534 9.702 1.00 0.00 C ATOM 0 H PHE A 98 7.537 -10.218 6.217 1.00 0.00 H new ATOM 0 HA PHE A 98 9.751 -9.230 7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.476 -11.411 5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.930 -11.134 6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.739 -11.280 9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.748 -12.758 6.472 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.855 -12.704 10.917 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.862 -14.183 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.917 -14.163 10.490 1.00 0.00 H new ATOM 660 N TYR A 99 10.026 -9.066 4.422 1.00 0.00 N ATOM 661 CA TYR A 99 10.686 -8.347 3.339 1.00 0.00 C ATOM 662 C TYR A 99 10.321 -6.866 3.365 1.00 0.00 C ATOM 663 O TYR A 99 10.966 -6.045 2.713 1.00 0.00 O ATOM 664 CB TYR A 99 10.302 -8.954 1.988 1.00 0.00 C ATOM 665 CG TYR A 99 11.396 -8.860 0.949 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.527 -7.731 0.150 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.300 -9.900 0.767 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.525 -7.642 -0.802 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.302 -9.818 -0.181 1.00 0.00 C ATOM 670 CZ TYR A 99 13.410 -8.687 -0.963 1.00 0.00 C ATOM 671 OH TYR A 99 14.406 -8.601 -1.908 1.00 0.00 O ATOM 0 H TYR A 99 9.421 -9.828 4.116 1.00 0.00 H new ATOM 0 HA TYR A 99 11.763 -8.439 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.038 -10.002 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.412 -8.450 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.837 -6.909 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.218 -10.787 1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.611 -6.758 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.997 -10.635 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 99 14.943 -9.420 -1.892 1.00 0.00 H new ATOM 681 N SER A 100 9.283 -6.533 4.125 1.00 0.00 N ATOM 682 CA SER A 100 8.829 -5.152 4.236 1.00 0.00 C ATOM 683 C SER A 100 9.495 -4.454 5.419 1.00 0.00 C ATOM 684 O SER A 100 9.781 -3.258 5.369 1.00 0.00 O ATOM 685 CB SER A 100 7.308 -5.103 4.391 1.00 0.00 C ATOM 686 OG SER A 100 6.907 -5.620 5.648 1.00 0.00 O ATOM 0 H SER A 100 8.741 -7.201 4.673 1.00 0.00 H new ATOM 0 HA SER A 100 9.111 -4.629 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.962 -4.074 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.839 -5.677 3.592 1.00 0.00 H new ATOM 0 HG SER A 100 7.659 -6.094 6.062 1.00 0.00 H new ATOM 692 N LYS A 101 9.738 -5.211 6.483 1.00 0.00 N ATOM 693 CA LYS A 101 10.371 -4.669 7.680 1.00 0.00 C ATOM 694 C LYS A 101 11.881 -4.876 7.638 1.00 0.00 C ATOM 695 O LYS A 101 12.648 -3.914 7.573 1.00 0.00 O ATOM 696 CB LYS A 101 9.790 -5.329 8.932 1.00 0.00 C ATOM 697 CG LYS A 101 10.099 -4.577 10.215 1.00 0.00 C ATOM 698 CD LYS A 101 11.519 -4.839 10.687 1.00 0.00 C ATOM 699 CE LYS A 101 11.626 -4.763 12.202 1.00 0.00 C ATOM 700 NZ LYS A 101 11.826 -3.366 12.676 1.00 0.00 N ATOM 0 H LYS A 101 9.506 -6.203 6.541 1.00 0.00 H new ATOM 0 HA LYS A 101 10.170 -3.598 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.709 -5.412 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.181 -6.343 9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.960 -3.508 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.395 -4.877 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.840 -5.824 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.193 -4.111 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.721 -5.172 12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.457 -5.383 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.894 -3.358 13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.703 -2.983 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.021 -2.779 12.377 1.00 0.00 H new ATOM 714 N PHE A 102 12.303 -6.135 7.674 1.00 0.00 N ATOM 715 CA PHE A 102 13.722 -6.468 7.639 1.00 0.00 C ATOM 716 C PHE A 102 14.255 -6.428 6.210 1.00 0.00 C ATOM 717 O PHE A 102 15.404 -6.055 5.974 1.00 0.00 O ATOM 718 CB PHE A 102 13.958 -7.852 8.246 1.00 0.00 C ATOM 719 CG PHE A 102 13.245 -8.065 9.550 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.900 -8.399 9.572 1.00 0.00 C ATOM 721 CD2 PHE A 102 13.919 -7.933 10.753 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.241 -8.594 10.771 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.265 -8.128 11.955 1.00 0.00 C ATOM 724 CZ PHE A 102 11.924 -8.460 11.964 1.00 0.00 C ATOM 0 H PHE A 102 11.682 -6.942 7.727 1.00 0.00 H new ATOM 0 HA PHE A 102 14.259 -5.725 8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.633 -8.612 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.028 -7.995 8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.361 -8.508 8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.968 -7.675 10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 102 10.192 -8.851 10.775 1.00 0.00 H new ATOM 0 HE2 PHE A 102 13.802 -8.021 12.886 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.411 -8.614 12.902 1.00 0.00 H new ATOM 734 N GLY A 103 13.412 -6.817 5.259 1.00 0.00 N ATOM 735 CA GLY A 103 13.815 -6.819 3.865 1.00 0.00 C ATOM 736 C GLY A 103 14.637 -8.040 3.502 1.00 0.00 C ATOM 737 O GLY A 103 15.559 -7.956 2.691 1.00 0.00 O ATOM 0 H GLY A 103 12.457 -7.131 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.928 -6.781 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.394 -5.919 3.656 1.00 0.00 H new ATOM 741 N GLU A 104 14.304 -9.177 4.104 1.00 0.00 N ATOM 742 CA GLU A 104 15.021 -10.419 3.841 1.00 0.00 C ATOM 743 C GLU A 104 14.102 -11.625 4.014 1.00 0.00 C ATOM 744 O GLU A 104 13.673 -11.939 5.124 1.00 0.00 O ATOM 745 CB GLU A 104 16.227 -10.545 4.774 1.00 0.00 C ATOM 746 CG GLU A 104 17.076 -9.287 4.846 1.00 0.00 C ATOM 747 CD GLU A 104 18.459 -9.547 5.411 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.594 -9.587 6.652 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.405 -9.710 4.614 1.00 0.00 O ATOM 0 H GLU A 104 13.542 -9.264 4.777 1.00 0.00 H new ATOM 0 HA GLU A 104 15.370 -10.395 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.876 -10.794 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.850 -11.375 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.170 -8.859 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.569 -8.546 5.464 1.00 0.00 H new ATOM 756 N CYS A 105 13.803 -12.297 2.907 1.00 0.00 N ATOM 757 CA CYS A 105 12.935 -13.467 2.933 1.00 0.00 C ATOM 758 C CYS A 105 13.460 -14.555 2.001 1.00 0.00 C ATOM 759 O CYS A 105 13.793 -14.290 0.846 1.00 0.00 O ATOM 760 CB CYS A 105 11.510 -13.080 2.531 1.00 0.00 C ATOM 761 SG CYS A 105 10.228 -14.210 3.161 1.00 0.00 S ATOM 0 H CYS A 105 14.150 -12.050 1.980 1.00 0.00 H new ATOM 0 HA CYS A 105 12.925 -13.858 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.302 -12.073 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.447 -13.046 1.443 1.00 0.00 H new ATOM 766 N SER A 106 13.531 -15.781 2.511 1.00 0.00 N ATOM 767 CA SER A 106 14.018 -16.909 1.726 1.00 0.00 C ATOM 768 C SER A 106 12.871 -17.834 1.334 1.00 0.00 C ATOM 769 O SER A 106 13.009 -19.056 1.359 1.00 0.00 O ATOM 770 CB SER A 106 15.071 -17.689 2.516 1.00 0.00 C ATOM 771 OG SER A 106 15.812 -18.548 1.667 1.00 0.00 O ATOM 0 H SER A 106 13.257 -16.018 3.465 1.00 0.00 H new ATOM 0 HA SER A 106 14.472 -16.518 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.746 -16.993 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.585 -18.274 3.296 1.00 0.00 H new ATOM 0 HG SER A 106 15.199 -19.146 1.190 1.00 0.00 H new ATOM 777 N ASN A 107 11.738 -17.241 0.973 1.00 0.00 N ATOM 778 CA ASN A 107 10.565 -18.011 0.576 1.00 0.00 C ATOM 779 C ASN A 107 10.388 -17.991 -0.940 1.00 0.00 C ATOM 780 O ASN A 107 10.126 -16.944 -1.532 1.00 0.00 O ATOM 781 CB ASN A 107 9.310 -17.456 1.253 1.00 0.00 C ATOM 782 CG ASN A 107 9.174 -17.924 2.689 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.159 -18.288 3.332 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.947 -17.918 3.199 1.00 0.00 N ATOM 0 H ASN A 107 11.607 -16.230 0.947 1.00 0.00 H new ATOM 0 HA ASN A 107 10.715 -19.043 0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.339 -16.367 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.430 -17.763 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.793 -18.223 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.160 -17.608 2.630 1.00 0.00 H new ATOM 791 N LYS A 108 10.534 -19.156 -1.562 1.00 0.00 N ATOM 792 CA LYS A 108 10.389 -19.275 -3.008 1.00 0.00 C ATOM 793 C LYS A 108 8.938 -19.067 -3.429 1.00 0.00 C ATOM 794 O LYS A 108 8.661 -18.397 -4.423 1.00 0.00 O ATOM 795 CB LYS A 108 10.877 -20.647 -3.479 1.00 0.00 C ATOM 796 CG LYS A 108 10.628 -20.908 -4.955 1.00 0.00 C ATOM 797 CD LYS A 108 11.318 -22.178 -5.421 1.00 0.00 C ATOM 798 CE LYS A 108 11.125 -22.402 -6.913 1.00 0.00 C ATOM 799 NZ LYS A 108 12.221 -23.224 -7.497 1.00 0.00 N ATOM 0 H LYS A 108 10.753 -20.032 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 108 10.998 -18.500 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.945 -20.732 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.381 -21.421 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.556 -20.988 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.987 -20.062 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.383 -22.118 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.923 -23.031 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.169 -22.896 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.082 -21.439 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.053 -23.354 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.131 -22.741 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.246 -24.152 -7.029 1.00 0.00 H new ATOM 813 N GLU A 109 8.017 -19.646 -2.665 1.00 0.00 N ATOM 814 CA GLU A 109 6.594 -19.523 -2.959 1.00 0.00 C ATOM 815 C GLU A 109 5.893 -18.667 -1.908 1.00 0.00 C ATOM 816 O GLU A 109 4.833 -19.033 -1.398 1.00 0.00 O ATOM 817 CB GLU A 109 5.942 -20.906 -3.024 1.00 0.00 C ATOM 818 CG GLU A 109 6.578 -21.830 -4.049 1.00 0.00 C ATOM 819 CD GLU A 109 6.409 -23.295 -3.696 1.00 0.00 C ATOM 820 OE1 GLU A 109 5.386 -23.888 -4.097 1.00 0.00 O ATOM 821 OE2 GLU A 109 7.301 -23.849 -3.019 1.00 0.00 O ATOM 0 H GLU A 109 8.231 -20.204 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 109 6.491 -19.035 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.000 -21.373 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.884 -20.789 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.135 -21.642 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.640 -21.600 -4.131 1.00 0.00 H new ATOM 828 N CYS A 110 6.492 -17.525 -1.588 1.00 0.00 N ATOM 829 CA CYS A 110 5.928 -16.616 -0.597 1.00 0.00 C ATOM 830 C CYS A 110 4.704 -15.895 -1.155 1.00 0.00 C ATOM 831 O CYS A 110 4.788 -15.129 -2.116 1.00 0.00 O ATOM 832 CB CYS A 110 6.977 -15.595 -0.155 1.00 0.00 C ATOM 833 SG CYS A 110 6.746 -14.980 1.544 1.00 0.00 S ATOM 0 H CYS A 110 7.369 -17.207 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 110 5.619 -17.206 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.965 -16.048 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.957 -14.749 -0.842 1.00 0.00 H new ATOM 838 N PRO A 111 3.538 -16.144 -0.540 1.00 0.00 N ATOM 839 CA PRO A 111 2.275 -15.528 -0.957 1.00 0.00 C ATOM 840 C PRO A 111 2.230 -14.035 -0.651 1.00 0.00 C ATOM 841 O PRO A 111 1.193 -13.390 -0.810 1.00 0.00 O ATOM 842 CB PRO A 111 1.226 -16.276 -0.130 1.00 0.00 C ATOM 843 CG PRO A 111 1.963 -16.755 1.073 1.00 0.00 C ATOM 844 CD PRO A 111 3.364 -17.046 0.611 1.00 0.00 C ATOM 0 HA PRO A 111 2.121 -15.602 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.400 -15.621 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.800 -17.108 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.960 -16.000 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.495 -17.648 1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.095 -16.844 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.484 -18.091 0.324 1.00 0.00 H new ATOM 852 N PHE A 112 3.360 -13.491 -0.213 1.00 0.00 N ATOM 853 CA PHE A 112 3.448 -12.073 0.115 1.00 0.00 C ATOM 854 C PHE A 112 4.306 -11.331 -0.906 1.00 0.00 C ATOM 855 O PHE A 112 5.230 -11.900 -1.488 1.00 0.00 O ATOM 856 CB PHE A 112 4.031 -11.888 1.518 1.00 0.00 C ATOM 857 CG PHE A 112 3.029 -12.102 2.616 1.00 0.00 C ATOM 858 CD1 PHE A 112 2.048 -11.158 2.872 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.068 -13.249 3.393 1.00 0.00 C ATOM 860 CE1 PHE A 112 1.124 -11.352 3.882 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.147 -13.449 4.404 1.00 0.00 C ATOM 862 CZ PHE A 112 1.175 -12.499 4.649 1.00 0.00 C ATOM 0 H PHE A 112 4.227 -14.010 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 112 2.441 -11.656 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.860 -12.583 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.441 -10.882 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.004 -10.259 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.826 -13.995 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.364 -10.608 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.187 -14.347 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.456 -12.653 5.440 1.00 0.00 H new ATOM 872 N LEU A 113 3.993 -10.057 -1.118 1.00 0.00 N ATOM 873 CA LEU A 113 4.734 -9.236 -2.069 1.00 0.00 C ATOM 874 C LEU A 113 6.163 -9.001 -1.589 1.00 0.00 C ATOM 875 O LEU A 113 6.393 -8.691 -0.419 1.00 0.00 O ATOM 876 CB LEU A 113 4.026 -7.895 -2.274 1.00 0.00 C ATOM 877 CG LEU A 113 2.635 -7.960 -2.904 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.583 -8.259 -1.847 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.314 -6.659 -3.626 1.00 0.00 C ATOM 0 H LEU A 113 3.232 -9.571 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 113 4.773 -9.769 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.942 -7.400 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.658 -7.265 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 113 2.626 -8.769 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.599 -8.301 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.803 -9.217 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.592 -7.473 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.320 -6.724 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.342 -5.832 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.050 -6.488 -4.412 1.00 0.00 H new ATOM 891 N HIS A 114 7.119 -9.149 -2.499 1.00 0.00 N ATOM 892 CA HIS A 114 8.526 -8.951 -2.169 1.00 0.00 C ATOM 893 C HIS A 114 9.088 -7.732 -2.896 1.00 0.00 C ATOM 894 O HIS A 114 9.480 -7.818 -4.060 1.00 0.00 O ATOM 895 CB HIS A 114 9.338 -10.194 -2.533 1.00 0.00 C ATOM 896 CG HIS A 114 9.451 -11.184 -1.414 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.027 -12.427 -1.564 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.059 -11.106 -0.121 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.984 -13.072 -0.412 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.401 -12.292 0.480 1.00 0.00 N ATOM 0 H HIS A 114 6.946 -9.405 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 114 8.600 -8.779 -1.095 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.877 -10.680 -3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.338 -9.888 -2.839 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.425 -12.792 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.569 -10.267 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.361 -14.068 -0.231 1.00 0.00 H new ATOM 908 N ILE A 115 9.123 -6.600 -2.202 1.00 0.00 N ATOM 909 CA ILE A 115 9.637 -5.365 -2.782 1.00 0.00 C ATOM 910 C ILE A 115 10.978 -4.984 -2.163 1.00 0.00 C ATOM 911 O ILE A 115 11.183 -5.136 -0.959 1.00 0.00 O ATOM 912 CB ILE A 115 8.648 -4.200 -2.593 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.298 -4.540 -3.228 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.214 -2.922 -3.192 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.226 -3.508 -2.959 1.00 0.00 C ATOM 0 H ILE A 115 8.802 -6.512 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 115 9.770 -5.548 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 115 8.496 -4.041 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.428 -4.644 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.962 -5.507 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.503 -2.108 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.153 -2.674 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.392 -3.067 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.297 -3.815 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.067 -3.420 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.540 -2.544 -3.359 1.00 0.00 H new ATOM 927 N ASP A 116 11.887 -4.486 -2.995 1.00 0.00 N ATOM 928 CA ASP A 116 13.208 -4.080 -2.530 1.00 0.00 C ATOM 929 C ASP A 116 13.103 -2.921 -1.543 1.00 0.00 C ATOM 930 O ASP A 116 12.289 -2.011 -1.700 1.00 0.00 O ATOM 931 CB ASP A 116 14.088 -3.679 -3.714 1.00 0.00 C ATOM 932 CG ASP A 116 15.558 -3.949 -3.461 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.900 -5.100 -3.117 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.367 -3.009 -3.606 1.00 0.00 O ATOM 0 H ASP A 116 11.733 -4.354 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 116 13.664 -4.929 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.769 -4.225 -4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.947 -2.619 -3.925 1.00 0.00 H new ATOM 939 N PRO A 117 13.946 -2.954 -0.500 1.00 0.00 N ATOM 940 CA PRO A 117 13.968 -1.915 0.534 1.00 0.00 C ATOM 941 C PRO A 117 14.511 -0.589 0.012 1.00 0.00 C ATOM 942 O PRO A 117 14.628 0.381 0.759 1.00 0.00 O ATOM 943 CB PRO A 117 14.902 -2.494 1.599 1.00 0.00 C ATOM 944 CG PRO A 117 15.786 -3.436 0.857 1.00 0.00 C ATOM 945 CD PRO A 117 14.943 -4.009 -0.249 1.00 0.00 C ATOM 0 HA PRO A 117 12.968 -1.686 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.481 -1.709 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.342 -3.009 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.658 -2.919 0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.156 -4.223 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.537 -4.221 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.471 -4.945 0.049 1.00 0.00 H new ATOM 953 N GLU A 118 14.840 -0.556 -1.276 1.00 0.00 N ATOM 954 CA GLU A 118 15.371 0.652 -1.897 1.00 0.00 C ATOM 955 C GLU A 118 14.267 1.430 -2.606 1.00 0.00 C ATOM 956 O GLU A 118 14.296 2.659 -2.660 1.00 0.00 O ATOM 957 CB GLU A 118 16.479 0.296 -2.891 1.00 0.00 C ATOM 958 CG GLU A 118 17.654 -0.431 -2.258 1.00 0.00 C ATOM 959 CD GLU A 118 18.958 -0.180 -2.991 1.00 0.00 C ATOM 960 OE1 GLU A 118 18.938 -0.131 -4.238 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.998 -0.032 -2.316 1.00 0.00 O ATOM 0 H GLU A 118 14.748 -1.351 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 118 15.787 1.282 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.060 -0.327 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.840 1.210 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.757 -0.113 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.449 -1.502 -2.244 1.00 0.00 H new ATOM 968 N SER A 119 13.295 0.704 -3.149 1.00 0.00 N ATOM 969 CA SER A 119 12.183 1.325 -3.859 1.00 0.00 C ATOM 970 C SER A 119 11.059 1.692 -2.894 1.00 0.00 C ATOM 971 O SER A 119 9.939 1.989 -3.310 1.00 0.00 O ATOM 972 CB SER A 119 11.652 0.383 -4.942 1.00 0.00 C ATOM 973 OG SER A 119 12.473 0.421 -6.097 1.00 0.00 O ATOM 0 H SER A 119 13.255 -0.315 -3.111 1.00 0.00 H new ATOM 0 HA SER A 119 12.549 2.238 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.610 -0.635 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.633 0.665 -5.207 1.00 0.00 H new ATOM 0 HG SER A 119 12.114 -0.190 -6.774 1.00 0.00 H new ATOM 979 N LYS A 120 11.367 1.669 -1.602 1.00 0.00 N ATOM 980 CA LYS A 120 10.386 2.000 -0.575 1.00 0.00 C ATOM 981 C LYS A 120 10.924 3.075 0.365 1.00 0.00 C ATOM 982 O LYS A 120 10.651 3.055 1.565 1.00 0.00 O ATOM 983 CB LYS A 120 10.011 0.750 0.224 1.00 0.00 C ATOM 984 CG LYS A 120 9.225 -0.272 -0.579 1.00 0.00 C ATOM 985 CD LYS A 120 9.025 -1.560 0.202 1.00 0.00 C ATOM 986 CE LYS A 120 7.889 -1.433 1.205 1.00 0.00 C ATOM 987 NZ LYS A 120 6.576 -1.800 0.605 1.00 0.00 N ATOM 0 H LYS A 120 12.289 1.424 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 120 9.496 2.387 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.921 0.282 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.423 1.047 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.255 0.145 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.750 -0.487 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.812 -2.376 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.946 -1.817 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.088 -2.075 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.845 -0.409 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.828 -1.700 1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.373 -1.171 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.609 -2.785 0.273 1.00 0.00 H new ATOM 1001 N ILE A 121 11.687 4.011 -0.189 1.00 0.00 N ATOM 1002 CA ILE A 121 12.259 5.095 0.600 1.00 0.00 C ATOM 1003 C ILE A 121 11.330 6.303 0.631 1.00 0.00 C ATOM 1004 O ILE A 121 10.732 6.667 -0.382 1.00 0.00 O ATOM 1005 CB ILE A 121 13.630 5.529 0.048 1.00 0.00 C ATOM 1006 CG1 ILE A 121 14.601 4.347 0.044 1.00 0.00 C ATOM 1007 CG2 ILE A 121 14.191 6.680 0.870 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.703 3.644 1.380 1.00 0.00 C ATOM 0 H ILE A 121 11.923 4.041 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 121 12.388 4.714 1.613 1.00 0.00 H new ATOM 0 HB ILE A 121 13.500 5.871 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.283 3.629 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.590 4.701 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.160 6.976 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.506 7.527 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 121 14.309 6.363 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.409 2.817 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.050 4.348 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.723 3.260 1.665 1.00 0.00 H new ATOM 1020 N LYS A 122 11.214 6.924 1.800 1.00 0.00 N ATOM 1021 CA LYS A 122 10.360 8.094 1.964 1.00 0.00 C ATOM 1022 C LYS A 122 11.135 9.377 1.682 1.00 0.00 C ATOM 1023 O LYS A 122 10.661 10.254 0.960 1.00 0.00 O ATOM 1024 CB LYS A 122 9.783 8.135 3.381 1.00 0.00 C ATOM 1025 CG LYS A 122 8.748 9.228 3.584 1.00 0.00 C ATOM 1026 CD LYS A 122 7.353 8.750 3.216 1.00 0.00 C ATOM 1027 CE LYS A 122 6.799 7.790 4.257 1.00 0.00 C ATOM 1028 NZ LYS A 122 5.738 6.911 3.692 1.00 0.00 N ATOM 0 H LYS A 122 11.701 6.636 2.648 1.00 0.00 H new ATOM 0 HA LYS A 122 9.542 8.019 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.330 7.170 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.597 8.280 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.760 9.553 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.009 10.095 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.687 9.608 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.381 8.258 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.608 7.175 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.393 8.357 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.386 6.271 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.954 7.496 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.132 6.351 2.909 1.00 0.00 H new ATOM 1042 N ASP A 123 12.329 9.479 2.255 1.00 0.00 N ATOM 1043 CA ASP A 123 13.172 10.654 2.064 1.00 0.00 C ATOM 1044 C ASP A 123 14.258 10.381 1.029 1.00 0.00 C ATOM 1045 O ASP A 123 15.449 10.523 1.312 1.00 0.00 O ATOM 1046 CB ASP A 123 13.807 11.074 3.390 1.00 0.00 C ATOM 1047 CG ASP A 123 12.912 11.996 4.195 1.00 0.00 C ATOM 1048 OD1 ASP A 123 12.864 13.203 3.878 1.00 0.00 O ATOM 1049 OD2 ASP A 123 12.258 11.510 5.141 1.00 0.00 O ATOM 0 H ASP A 123 12.735 8.762 2.856 1.00 0.00 H new ATOM 0 HA ASP A 123 12.543 11.466 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.032 10.185 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.755 11.574 3.193 1.00 0.00 H new ATOM 1054 N CYS A 124 13.841 9.986 -0.169 1.00 0.00 N ATOM 1055 CA CYS A 124 14.780 9.691 -1.246 1.00 0.00 C ATOM 1056 C CYS A 124 15.123 10.954 -2.030 1.00 0.00 C ATOM 1057 O CYS A 124 14.277 11.816 -2.268 1.00 0.00 O ATOM 1058 CB CYS A 124 14.193 8.636 -2.186 1.00 0.00 C ATOM 1059 SG CYS A 124 12.575 9.071 -2.866 1.00 0.00 S ATOM 0 H CYS A 124 12.860 9.863 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 124 15.696 9.302 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 124 14.888 8.471 -3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 124 14.107 7.692 -1.647 1.00 0.00 H new ATOM 0 HG CYS A 124 12.650 9.126 -4.163 1.00 0.00 H new ATOM 1065 N PRO A 125 16.395 11.068 -2.440 1.00 0.00 N ATOM 1066 CA PRO A 125 16.880 12.223 -3.203 1.00 0.00 C ATOM 1067 C PRO A 125 16.316 12.260 -4.619 1.00 0.00 C ATOM 1068 O PRO A 125 16.671 13.129 -5.415 1.00 0.00 O ATOM 1069 CB PRO A 125 18.396 12.014 -3.236 1.00 0.00 C ATOM 1070 CG PRO A 125 18.580 10.544 -3.078 1.00 0.00 C ATOM 1071 CD PRO A 125 17.457 10.079 -2.193 1.00 0.00 C ATOM 0 HA PRO A 125 16.576 13.167 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 125 18.824 12.368 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 125 18.889 12.563 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 125 18.549 10.041 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 125 19.548 10.318 -2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 125 17.134 9.070 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 125 17.753 10.061 -1.144 1.00 0.00 H new ATOM 1079 N TRP A 126 15.437 11.314 -4.926 1.00 0.00 N ATOM 1080 CA TRP A 126 14.824 11.240 -6.247 1.00 0.00 C ATOM 1081 C TRP A 126 13.332 10.945 -6.140 1.00 0.00 C ATOM 1082 O TRP A 126 12.932 9.881 -5.666 1.00 0.00 O ATOM 1083 CB TRP A 126 15.509 10.164 -7.091 1.00 0.00 C ATOM 1084 CG TRP A 126 16.087 9.048 -6.274 1.00 0.00 C ATOM 1085 CD1 TRP A 126 15.399 8.046 -5.652 1.00 0.00 C ATOM 1086 CD2 TRP A 126 17.472 8.822 -5.990 1.00 0.00 C ATOM 1087 NE1 TRP A 126 16.273 7.211 -4.998 1.00 0.00 N ATOM 1088 CE2 TRP A 126 17.551 7.665 -5.191 1.00 0.00 C ATOM 1089 CE3 TRP A 126 18.654 9.484 -6.334 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 18.763 7.159 -4.731 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 19.857 8.980 -5.877 1.00 0.00 C ATOM 1092 CH2 TRP A 126 19.905 7.827 -5.084 1.00 0.00 C ATOM 0 H TRP A 126 15.132 10.587 -4.278 1.00 0.00 H new ATOM 0 HA TRP A 126 14.950 12.208 -6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 126 14.788 9.752 -7.797 1.00 0.00 H new ATOM 0 HB3 TRP A 126 16.304 10.624 -7.679 1.00 0.00 H new ATOM 0 HD1 TRP A 126 14.326 7.927 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 126 16.012 6.387 -4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 126 18.628 10.373 -6.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 18.802 6.271 -4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 20.776 9.484 -6.136 1.00 0.00 H new ATOM 0 HH2 TRP A 126 20.861 7.457 -4.744 1.00 0.00 H new ATOM 1103 N SER A 127 12.512 11.893 -6.582 1.00 0.00 N ATOM 1104 CA SER A 127 11.063 11.736 -6.532 1.00 0.00 C ATOM 1105 C SER A 127 10.499 11.453 -7.921 1.00 0.00 C ATOM 1106 O SER A 127 10.645 12.260 -8.838 1.00 0.00 O ATOM 1107 CB SER A 127 10.412 12.992 -5.950 1.00 0.00 C ATOM 1108 OG SER A 127 10.555 14.094 -6.829 1.00 0.00 O ATOM 0 H SER A 127 12.827 12.778 -6.979 1.00 0.00 H new ATOM 0 HA SER A 127 10.836 10.887 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.354 12.805 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 127 10.867 13.229 -4.988 1.00 0.00 H new ATOM 0 HG SER A 127 10.754 13.769 -7.732 1.00 0.00 H new ATOM 1114 N GLY A 128 9.852 10.301 -8.067 1.00 0.00 N ATOM 1115 CA GLY A 128 9.275 9.931 -9.346 1.00 0.00 C ATOM 1116 C GLY A 128 10.123 8.922 -10.095 1.00 0.00 C ATOM 1117 O GLY A 128 10.889 8.162 -9.502 1.00 0.00 O ATOM 0 H GLY A 128 9.717 9.617 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 128 8.280 9.517 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 128 9.153 10.825 -9.958 1.00 0.00 H new ATOM 1121 N PRO A 129 9.989 8.905 -11.429 1.00 0.00 N ATOM 1122 CA PRO A 129 10.741 7.985 -12.288 1.00 0.00 C ATOM 1123 C PRO A 129 12.226 8.325 -12.343 1.00 0.00 C ATOM 1124 O PRO A 129 13.079 7.455 -12.169 1.00 0.00 O ATOM 1125 CB PRO A 129 10.097 8.178 -13.663 1.00 0.00 C ATOM 1126 CG PRO A 129 9.526 9.553 -13.625 1.00 0.00 C ATOM 1127 CD PRO A 129 9.095 9.783 -12.202 1.00 0.00 C ATOM 0 HA PRO A 129 10.698 6.959 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 129 10.832 8.077 -14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 129 9.323 7.433 -13.845 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.266 10.292 -13.933 1.00 0.00 H new ATOM 0 HG3 PRO A 129 8.682 9.644 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.208 10.828 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 129 8.047 9.522 -12.052 1.00 0.00 H new ATOM 1135 N SER A 130 12.528 9.597 -12.586 1.00 0.00 N ATOM 1136 CA SER A 130 13.911 10.052 -12.667 1.00 0.00 C ATOM 1137 C SER A 130 14.099 11.358 -11.902 1.00 0.00 C ATOM 1138 O SER A 130 13.166 12.149 -11.762 1.00 0.00 O ATOM 1139 CB SER A 130 14.324 10.239 -14.128 1.00 0.00 C ATOM 1140 OG SER A 130 13.659 11.348 -14.707 1.00 0.00 O ATOM 0 H SER A 130 11.834 10.330 -12.730 1.00 0.00 H new ATOM 0 HA SER A 130 14.545 9.291 -12.212 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.402 10.385 -14.189 1.00 0.00 H new ATOM 0 HB3 SER A 130 14.092 9.336 -14.693 1.00 0.00 H new ATOM 0 HG SER A 130 13.941 11.448 -15.640 1.00 0.00 H new ATOM 1146 N SER A 131 15.313 11.578 -11.407 1.00 0.00 N ATOM 1147 CA SER A 131 15.624 12.787 -10.653 1.00 0.00 C ATOM 1148 C SER A 131 15.759 13.988 -11.583 1.00 0.00 C ATOM 1149 O SER A 131 16.798 14.186 -12.213 1.00 0.00 O ATOM 1150 CB SER A 131 16.916 12.597 -9.855 1.00 0.00 C ATOM 1151 OG SER A 131 18.028 12.431 -10.718 1.00 0.00 O ATOM 0 H SER A 131 16.097 10.935 -11.515 1.00 0.00 H new ATOM 0 HA SER A 131 14.803 12.976 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 131 17.078 13.460 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.822 11.726 -9.206 1.00 0.00 H new ATOM 0 HG SER A 131 18.010 13.123 -11.411 1.00 0.00 H new ATOM 1157 N GLY A 132 14.700 14.788 -11.664 1.00 0.00 N ATOM 1158 CA GLY A 132 14.720 15.960 -12.520 1.00 0.00 C ATOM 1159 C GLY A 132 15.625 17.053 -11.986 1.00 0.00 C ATOM 1160 O GLY A 132 15.808 17.140 -10.772 1.00 0.00 O ATOM 0 H GLY A 132 13.829 14.646 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 132 15.053 15.672 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.707 16.349 -12.622 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -14.032 -10.313 7.558 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.274 -13.357 2.219 1.00 0.00 ZN