USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 HIS : no HD1:sc= -3.79! K(o=-3.9!,f=-1.5) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.0809 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.236 USER MOD Single : A 3 SER OG : rot 6:sc= 0.155 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.018) USER MOD Single : A 9 GLN : amide:sc= -0.39 K(o=-0.39,f=-4.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.99) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.8) USER MOD Single : A 52 ASN : amide:sc= -0.91 K(o=-0.91,f=-1.9!) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.0611 (180deg=-0.442) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc=-0.00242 (180deg=-0.11) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 99:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.768 K(o=-0.77,f=-2!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.115 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 29:sc= 0.955 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.611 -2.312 -22.765 1.00 0.00 N ATOM 2 CA GLY A 1 -21.209 -2.611 -22.994 1.00 0.00 C ATOM 3 C GLY A 1 -20.305 -1.984 -21.951 1.00 0.00 C ATOM 4 O GLY A 1 -20.506 -0.837 -21.555 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.187 -2.763 -23.504 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.896 -2.676 -21.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.755 -1.282 -22.793 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.066 -3.692 -22.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.921 -2.253 -23.982 1.00 0.00 H new ATOM 8 N SER A 2 -19.308 -2.741 -21.503 1.00 0.00 N ATOM 9 CA SER A 2 -18.373 -2.255 -20.496 1.00 0.00 C ATOM 10 C SER A 2 -17.106 -3.105 -20.475 1.00 0.00 C ATOM 11 O SER A 2 -17.156 -4.308 -20.224 1.00 0.00 O ATOM 12 CB SER A 2 -19.029 -2.264 -19.114 1.00 0.00 C ATOM 13 OG SER A 2 -19.581 -3.536 -18.819 1.00 0.00 O ATOM 0 H SER A 2 -19.127 -3.693 -21.822 1.00 0.00 H new ATOM 0 HA SER A 2 -18.099 -1.232 -20.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.291 -2.000 -18.356 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.812 -1.507 -19.075 1.00 0.00 H new ATOM 0 HG SER A 2 -18.993 -4.237 -19.170 1.00 0.00 H new ATOM 19 N SER A 3 -15.970 -2.468 -20.742 1.00 0.00 N ATOM 20 CA SER A 3 -14.689 -3.165 -20.758 1.00 0.00 C ATOM 21 C SER A 3 -13.563 -2.243 -20.298 1.00 0.00 C ATOM 22 O SER A 3 -13.766 -1.045 -20.105 1.00 0.00 O ATOM 23 CB SER A 3 -14.390 -3.694 -22.161 1.00 0.00 C ATOM 24 OG SER A 3 -15.209 -4.807 -22.473 1.00 0.00 O ATOM 0 H SER A 3 -15.911 -1.471 -20.950 1.00 0.00 H new ATOM 0 HA SER A 3 -14.752 -4.005 -20.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.552 -2.903 -22.893 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.341 -3.981 -22.229 1.00 0.00 H new ATOM 0 HG SER A 3 -15.866 -4.940 -21.758 1.00 0.00 H new ATOM 30 N GLY A 4 -12.374 -2.812 -20.125 1.00 0.00 N ATOM 31 CA GLY A 4 -11.232 -2.029 -19.690 1.00 0.00 C ATOM 32 C GLY A 4 -10.000 -2.879 -19.460 1.00 0.00 C ATOM 33 O GLY A 4 -9.829 -3.459 -18.388 1.00 0.00 O ATOM 0 H GLY A 4 -12.181 -3.802 -20.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.010 -1.269 -20.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.485 -1.505 -18.769 1.00 0.00 H new ATOM 37 N SER A 5 -9.137 -2.955 -20.469 1.00 0.00 N ATOM 38 CA SER A 5 -7.916 -3.746 -20.372 1.00 0.00 C ATOM 39 C SER A 5 -6.689 -2.886 -20.661 1.00 0.00 C ATOM 40 O SER A 5 -6.798 -1.797 -21.223 1.00 0.00 O ATOM 41 CB SER A 5 -7.968 -4.924 -21.346 1.00 0.00 C ATOM 42 OG SER A 5 -7.065 -5.946 -20.960 1.00 0.00 O ATOM 0 H SER A 5 -9.261 -2.479 -21.362 1.00 0.00 H new ATOM 0 HA SER A 5 -7.839 -4.129 -19.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.981 -5.325 -21.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.724 -4.580 -22.351 1.00 0.00 H new ATOM 0 HG SER A 5 -7.119 -6.688 -21.598 1.00 0.00 H new ATOM 48 N SER A 6 -5.520 -3.386 -20.272 1.00 0.00 N ATOM 49 CA SER A 6 -4.271 -2.663 -20.484 1.00 0.00 C ATOM 50 C SER A 6 -3.072 -3.529 -20.109 1.00 0.00 C ATOM 51 O SER A 6 -3.219 -4.568 -19.467 1.00 0.00 O ATOM 52 CB SER A 6 -4.258 -1.372 -19.665 1.00 0.00 C ATOM 53 OG SER A 6 -4.244 -1.650 -18.275 1.00 0.00 O ATOM 0 H SER A 6 -5.412 -4.288 -19.809 1.00 0.00 H new ATOM 0 HA SER A 6 -4.200 -2.413 -21.543 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.383 -0.779 -19.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.135 -0.773 -19.910 1.00 0.00 H new ATOM 0 HG SER A 6 -4.234 -0.808 -17.773 1.00 0.00 H new ATOM 59 N GLY A 7 -1.884 -3.093 -20.516 1.00 0.00 N ATOM 60 CA GLY A 7 -0.676 -3.838 -20.215 1.00 0.00 C ATOM 61 C GLY A 7 0.432 -2.954 -19.680 1.00 0.00 C ATOM 62 O GLY A 7 1.243 -2.430 -20.444 1.00 0.00 O ATOM 0 H GLY A 7 -1.737 -2.236 -21.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.904 -4.613 -19.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.330 -4.343 -21.117 1.00 0.00 H new ATOM 66 N LYS A 8 0.469 -2.785 -18.363 1.00 0.00 N ATOM 67 CA LYS A 8 1.486 -1.957 -17.725 1.00 0.00 C ATOM 68 C LYS A 8 2.430 -2.808 -16.881 1.00 0.00 C ATOM 69 O LYS A 8 2.033 -3.840 -16.341 1.00 0.00 O ATOM 70 CB LYS A 8 0.827 -0.888 -16.850 1.00 0.00 C ATOM 71 CG LYS A 8 0.225 -1.436 -15.568 1.00 0.00 C ATOM 72 CD LYS A 8 -1.250 -1.760 -15.740 1.00 0.00 C ATOM 73 CE LYS A 8 -1.869 -2.245 -14.438 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.046 -1.136 -13.460 1.00 0.00 N ATOM 0 H LYS A 8 -0.194 -3.211 -17.716 1.00 0.00 H new ATOM 0 HA LYS A 8 2.066 -1.470 -18.509 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.568 -0.130 -16.598 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.045 -0.391 -17.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.763 -2.335 -15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.348 -0.707 -14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.780 -0.874 -16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.369 -2.525 -16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.836 -2.704 -14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.236 -3.017 -14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.562 -1.486 -12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.114 -0.781 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.586 -0.365 -13.903 1.00 0.00 H new ATOM 88 N GLN A 9 3.680 -2.367 -16.773 1.00 0.00 N ATOM 89 CA GLN A 9 4.678 -3.090 -15.994 1.00 0.00 C ATOM 90 C GLN A 9 4.336 -3.060 -14.508 1.00 0.00 C ATOM 91 O GLN A 9 4.231 -1.992 -13.907 1.00 0.00 O ATOM 92 CB GLN A 9 6.066 -2.489 -16.223 1.00 0.00 C ATOM 93 CG GLN A 9 7.151 -3.121 -15.367 1.00 0.00 C ATOM 94 CD GLN A 9 7.576 -4.485 -15.875 1.00 0.00 C ATOM 95 OE1 GLN A 9 6.745 -5.287 -16.302 1.00 0.00 O ATOM 96 NE2 GLN A 9 8.876 -4.754 -15.833 1.00 0.00 N ATOM 0 H GLN A 9 4.025 -1.514 -17.214 1.00 0.00 H new ATOM 0 HA GLN A 9 4.680 -4.128 -16.326 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.333 -2.601 -17.274 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.028 -1.419 -16.016 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.018 -2.461 -15.341 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.791 -3.215 -14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.529 -4.059 -15.471 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.221 -5.655 -16.163 1.00 0.00 H new ATOM 105 N ALA A 10 4.164 -4.240 -13.922 1.00 0.00 N ATOM 106 CA ALA A 10 3.836 -4.348 -12.506 1.00 0.00 C ATOM 107 C ALA A 10 4.656 -5.445 -11.834 1.00 0.00 C ATOM 108 O ALA A 10 5.184 -6.336 -12.500 1.00 0.00 O ATOM 109 CB ALA A 10 2.349 -4.617 -12.328 1.00 0.00 C ATOM 0 H ALA A 10 4.246 -5.134 -14.406 1.00 0.00 H new ATOM 0 HA ALA A 10 4.084 -3.400 -12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.118 -4.695 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.776 -3.799 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.086 -5.550 -12.826 1.00 0.00 H new ATOM 115 N LYS A 11 4.762 -5.373 -10.512 1.00 0.00 N ATOM 116 CA LYS A 11 5.518 -6.359 -9.749 1.00 0.00 C ATOM 117 C LYS A 11 4.861 -6.623 -8.399 1.00 0.00 C ATOM 118 O LYS A 11 4.151 -5.768 -7.866 1.00 0.00 O ATOM 119 CB LYS A 11 6.957 -5.880 -9.543 1.00 0.00 C ATOM 120 CG LYS A 11 7.058 -4.554 -8.809 1.00 0.00 C ATOM 121 CD LYS A 11 8.339 -4.461 -7.998 1.00 0.00 C ATOM 122 CE LYS A 11 8.614 -3.033 -7.552 1.00 0.00 C ATOM 123 NZ LYS A 11 9.229 -2.221 -8.639 1.00 0.00 N ATOM 0 H LYS A 11 4.333 -4.641 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 11 5.529 -7.290 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.507 -6.638 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.442 -5.786 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.021 -3.736 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.199 -4.437 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.265 -5.108 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.176 -4.825 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.682 -2.566 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.277 -3.044 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.401 -1.255 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.131 -2.652 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.585 -2.189 -9.455 1.00 0.00 H new ATOM 137 N ILE A 12 5.102 -7.808 -7.850 1.00 0.00 N ATOM 138 CA ILE A 12 4.535 -8.183 -6.560 1.00 0.00 C ATOM 139 C ILE A 12 5.593 -8.145 -5.463 1.00 0.00 C ATOM 140 O ILE A 12 6.702 -8.653 -5.638 1.00 0.00 O ATOM 141 CB ILE A 12 3.909 -9.588 -6.607 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.932 -9.697 -7.781 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.203 -9.899 -5.295 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.227 -11.033 -7.858 1.00 0.00 C ATOM 0 H ILE A 12 5.686 -8.526 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 12 3.755 -7.455 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 12 4.705 -10.318 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.187 -8.906 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.474 -9.527 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.766 -10.896 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.922 -9.858 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.415 -9.166 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.551 -11.039 -8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.964 -11.827 -7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.657 -11.197 -6.944 1.00 0.00 H new ATOM 156 N HIS A 13 5.243 -7.545 -4.331 1.00 0.00 N ATOM 157 CA HIS A 13 6.163 -7.444 -3.202 1.00 0.00 C ATOM 158 C HIS A 13 5.911 -8.563 -2.195 1.00 0.00 C ATOM 159 O HIS A 13 4.955 -8.512 -1.422 1.00 0.00 O ATOM 160 CB HIS A 13 6.017 -6.085 -2.518 1.00 0.00 C ATOM 161 CG HIS A 13 5.981 -4.933 -3.476 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.723 -3.784 -3.300 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.288 -4.759 -4.625 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.487 -2.953 -4.298 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.619 -3.520 -5.117 1.00 0.00 N ATOM 0 H HIS A 13 4.329 -7.121 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 13 7.179 -7.543 -3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.103 -6.082 -1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.847 -5.945 -1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.602 -5.463 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.929 -1.975 -4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.254 -3.105 -5.975 1.00 0.00 H new ATOM 173 N TYR A 14 6.776 -9.571 -2.211 1.00 0.00 N ATOM 174 CA TYR A 14 6.645 -10.703 -1.302 1.00 0.00 C ATOM 175 C TYR A 14 7.145 -10.343 0.094 1.00 0.00 C ATOM 176 O TYR A 14 7.983 -11.042 0.664 1.00 0.00 O ATOM 177 CB TYR A 14 7.421 -11.908 -1.839 1.00 0.00 C ATOM 178 CG TYR A 14 7.025 -12.306 -3.242 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.695 -12.535 -3.572 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.982 -12.452 -4.239 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.330 -12.901 -4.852 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.625 -12.816 -5.523 1.00 0.00 C ATOM 183 CZ TYR A 14 6.298 -13.040 -5.824 1.00 0.00 C ATOM 184 OH TYR A 14 5.938 -13.402 -7.103 1.00 0.00 O ATOM 0 H TYR A 14 7.575 -9.627 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 14 5.588 -10.960 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.487 -11.680 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.266 -12.756 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.934 -12.425 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.022 -12.278 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.292 -13.078 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.381 -12.925 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 14 6.739 -13.455 -7.666 1.00 0.00 H new ATOM 194 N ILE A 15 6.626 -9.246 0.635 1.00 0.00 N ATOM 195 CA ILE A 15 7.018 -8.791 1.964 1.00 0.00 C ATOM 196 C ILE A 15 6.172 -9.456 3.044 1.00 0.00 C ATOM 197 O ILE A 15 4.961 -9.616 2.890 1.00 0.00 O ATOM 198 CB ILE A 15 6.892 -7.263 2.096 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.175 -6.580 1.617 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.588 -6.879 3.536 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.128 -6.156 0.166 1.00 0.00 C ATOM 0 H ILE A 15 5.933 -8.656 0.174 1.00 0.00 H new ATOM 0 HA ILE A 15 8.062 -9.073 2.099 1.00 0.00 H new ATOM 0 HB ILE A 15 6.067 -6.926 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.364 -5.704 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.015 -7.260 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.502 -5.795 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.650 -7.340 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.394 -7.226 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.070 -5.679 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.970 -7.031 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.310 -5.451 0.019 1.00 0.00 H new ATOM 213 N LYS A 16 6.816 -9.841 4.140 1.00 0.00 N ATOM 214 CA LYS A 16 6.123 -10.486 5.249 1.00 0.00 C ATOM 215 C LYS A 16 5.171 -11.564 4.743 1.00 0.00 C ATOM 216 O LYS A 16 4.179 -11.885 5.396 1.00 0.00 O ATOM 217 CB LYS A 16 5.350 -9.449 6.066 1.00 0.00 C ATOM 218 CG LYS A 16 6.236 -8.395 6.707 1.00 0.00 C ATOM 219 CD LYS A 16 7.084 -8.984 7.823 1.00 0.00 C ATOM 220 CE LYS A 16 8.414 -8.257 7.955 1.00 0.00 C ATOM 221 NZ LYS A 16 9.446 -8.819 7.040 1.00 0.00 N ATOM 0 H LYS A 16 7.818 -9.717 4.284 1.00 0.00 H new ATOM 0 HA LYS A 16 6.870 -10.958 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.624 -8.957 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.786 -9.960 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.884 -7.954 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.617 -7.591 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.540 -8.924 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.264 -10.041 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.273 -7.198 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.765 -8.326 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.337 -8.297 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.600 -9.823 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.123 -8.730 6.056 1.00 0.00 H new ATOM 235 N ASN A 17 5.479 -12.119 3.575 1.00 0.00 N ATOM 236 CA ASN A 17 4.650 -13.162 2.982 1.00 0.00 C ATOM 237 C ASN A 17 3.354 -12.578 2.429 1.00 0.00 C ATOM 238 O ASN A 17 2.297 -13.205 2.497 1.00 0.00 O ATOM 239 CB ASN A 17 4.334 -14.242 4.018 1.00 0.00 C ATOM 240 CG ASN A 17 4.153 -15.610 3.390 1.00 0.00 C ATOM 241 OD1 ASN A 17 4.489 -15.820 2.225 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.619 -16.550 4.162 1.00 0.00 N ATOM 0 H ASN A 17 6.296 -11.864 3.021 1.00 0.00 H new ATOM 0 HA ASN A 17 5.207 -13.609 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.140 -14.285 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.427 -13.970 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.473 -17.490 3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.355 -16.332 5.123 1.00 0.00 H new ATOM 249 N HIS A 18 3.443 -11.370 1.879 1.00 0.00 N ATOM 250 CA HIS A 18 2.278 -10.700 1.312 1.00 0.00 C ATOM 251 C HIS A 18 2.408 -10.572 -0.202 1.00 0.00 C ATOM 252 O HIS A 18 3.364 -11.070 -0.796 1.00 0.00 O ATOM 253 CB HIS A 18 2.103 -9.317 1.939 1.00 0.00 C ATOM 254 CG HIS A 18 1.384 -9.342 3.254 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.022 -9.157 3.370 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.845 -9.534 4.512 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.323 -9.232 4.643 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.765 -9.460 5.357 1.00 0.00 N ATOM 0 H HIS A 18 4.310 -10.836 1.814 1.00 0.00 H new ATOM 0 HA HIS A 18 1.399 -11.305 1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.084 -8.864 2.079 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.554 -8.680 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.871 -9.712 4.798 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.324 -9.125 5.034 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.798 -9.564 6.371 1.00 0.00 H new ATOM 266 N GLU A 19 1.441 -9.902 -0.821 1.00 0.00 N ATOM 267 CA GLU A 19 1.448 -9.710 -2.266 1.00 0.00 C ATOM 268 C GLU A 19 1.192 -8.249 -2.622 1.00 0.00 C ATOM 269 O GLU A 19 0.697 -7.940 -3.706 1.00 0.00 O ATOM 270 CB GLU A 19 0.393 -10.600 -2.926 1.00 0.00 C ATOM 271 CG GLU A 19 0.727 -12.082 -2.873 1.00 0.00 C ATOM 272 CD GLU A 19 -0.140 -12.909 -3.803 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.741 -12.326 -4.730 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.218 -14.139 -3.604 1.00 0.00 O ATOM 0 H GLU A 19 0.643 -9.483 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 19 2.433 -9.989 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.567 -10.435 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.276 -10.300 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.775 -12.224 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.604 -12.442 -1.852 1.00 0.00 H new ATOM 281 N PHE A 20 1.531 -7.353 -1.701 1.00 0.00 N ATOM 282 CA PHE A 20 1.336 -5.924 -1.917 1.00 0.00 C ATOM 283 C PHE A 20 1.696 -5.535 -3.347 1.00 0.00 C ATOM 284 O PHE A 20 2.872 -5.476 -3.709 1.00 0.00 O ATOM 285 CB PHE A 20 2.183 -5.118 -0.930 1.00 0.00 C ATOM 286 CG PHE A 20 1.830 -5.370 0.509 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.542 -5.152 0.968 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.788 -5.827 1.401 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.215 -5.383 2.291 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.466 -6.060 2.725 1.00 0.00 C ATOM 291 CZ PHE A 20 1.177 -5.839 3.170 1.00 0.00 C ATOM 0 H PHE A 20 1.942 -7.591 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 20 0.283 -5.698 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.235 -5.359 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.064 -4.056 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.216 -4.798 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.797 -6.003 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.793 -5.207 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.221 -6.414 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.922 -6.023 4.203 1.00 0.00 H new ATOM 301 N ILE A 21 0.676 -5.272 -4.157 1.00 0.00 N ATOM 302 CA ILE A 21 0.884 -4.889 -5.548 1.00 0.00 C ATOM 303 C ILE A 21 0.674 -3.391 -5.743 1.00 0.00 C ATOM 304 O ILE A 21 -0.378 -2.853 -5.400 1.00 0.00 O ATOM 305 CB ILE A 21 -0.061 -5.657 -6.490 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.466 -7.071 -6.738 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.220 -4.908 -7.806 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.224 -7.784 -7.879 1.00 0.00 C ATOM 0 H ILE A 21 -0.303 -5.317 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 21 1.915 -5.143 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.039 -5.733 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.535 -7.020 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.346 -7.659 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.891 -5.463 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.636 -3.919 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.753 -4.805 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.202 -8.781 -7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.289 -7.868 -7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.082 -7.219 -8.800 1.00 0.00 H new ATOM 320 N ALA A 22 1.681 -2.725 -6.298 1.00 0.00 N ATOM 321 CA ALA A 22 1.604 -1.290 -6.543 1.00 0.00 C ATOM 322 C ALA A 22 0.235 -0.899 -7.089 1.00 0.00 C ATOM 323 O ALA A 22 -0.213 -1.425 -8.109 1.00 0.00 O ATOM 324 CB ALA A 22 2.702 -0.860 -7.505 1.00 0.00 C ATOM 0 H ALA A 22 2.559 -3.156 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 22 1.747 -0.775 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.633 0.214 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.675 -1.096 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.585 -1.389 -8.451 1.00 0.00 H new ATOM 330 N THR A 23 -0.427 0.029 -6.404 1.00 0.00 N ATOM 331 CA THR A 23 -1.746 0.490 -6.820 1.00 0.00 C ATOM 332 C THR A 23 -1.950 1.960 -6.471 1.00 0.00 C ATOM 333 O THR A 23 -1.371 2.466 -5.509 1.00 0.00 O ATOM 334 CB THR A 23 -2.864 -0.342 -6.163 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.102 -0.125 -6.848 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.019 0.024 -4.695 1.00 0.00 C ATOM 0 H THR A 23 -0.071 0.476 -5.559 1.00 0.00 H new ATOM 0 HA THR A 23 -1.798 0.366 -7.902 1.00 0.00 H new ATOM 0 HB THR A 23 -2.592 -1.395 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.807 -0.658 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.814 -0.576 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.083 -0.170 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.271 1.081 -4.608 1.00 0.00 H new ATOM 344 N PHE A 24 -2.775 2.641 -7.258 1.00 0.00 N ATOM 345 CA PHE A 24 -3.055 4.054 -7.032 1.00 0.00 C ATOM 346 C PHE A 24 -4.433 4.242 -6.405 1.00 0.00 C ATOM 347 O PHE A 24 -5.392 3.559 -6.769 1.00 0.00 O ATOM 348 CB PHE A 24 -2.972 4.830 -8.349 1.00 0.00 C ATOM 349 CG PHE A 24 -2.827 6.312 -8.162 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.942 7.111 -7.965 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.576 6.909 -8.184 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.812 8.476 -7.794 1.00 0.00 C ATOM 353 CE2 PHE A 24 -1.440 8.273 -8.013 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.560 9.058 -7.817 1.00 0.00 C ATOM 0 H PHE A 24 -3.262 2.237 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.305 4.441 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.125 4.460 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.869 4.632 -8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.924 6.662 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.697 6.300 -8.337 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.689 9.087 -7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.459 8.725 -8.032 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.456 10.125 -7.682 1.00 0.00 H new ATOM 364 N PHE A 25 -4.526 5.172 -5.461 1.00 0.00 N ATOM 365 CA PHE A 25 -5.786 5.449 -4.782 1.00 0.00 C ATOM 366 C PHE A 25 -6.227 6.891 -5.020 1.00 0.00 C ATOM 367 O PHE A 25 -5.613 7.831 -4.518 1.00 0.00 O ATOM 368 CB PHE A 25 -5.649 5.189 -3.281 1.00 0.00 C ATOM 369 CG PHE A 25 -4.942 3.903 -2.957 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.643 2.709 -2.895 1.00 0.00 C ATOM 371 CD2 PHE A 25 -3.578 3.889 -2.716 1.00 0.00 C ATOM 372 CE1 PHE A 25 -4.994 1.525 -2.597 1.00 0.00 C ATOM 373 CE2 PHE A 25 -2.924 2.708 -2.419 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.633 1.524 -2.360 1.00 0.00 C ATOM 0 H PHE A 25 -3.743 5.747 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.544 4.782 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.107 6.017 -2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.642 5.172 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.707 2.703 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.019 4.812 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.551 0.601 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.860 2.711 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.125 0.600 -2.129 1.00 0.00 H new ATOM 384 N GLY A 26 -7.297 7.056 -5.793 1.00 0.00 N ATOM 385 CA GLY A 26 -7.802 8.384 -6.086 1.00 0.00 C ATOM 386 C GLY A 26 -8.364 9.075 -4.859 1.00 0.00 C ATOM 387 O GLY A 26 -8.412 10.303 -4.798 1.00 0.00 O ATOM 0 H GLY A 26 -7.822 6.294 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.999 8.990 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.579 8.314 -6.847 1.00 0.00 H new ATOM 391 N GLN A 27 -8.790 8.284 -3.880 1.00 0.00 N ATOM 392 CA GLN A 27 -9.353 8.828 -2.650 1.00 0.00 C ATOM 393 C GLN A 27 -8.519 8.417 -1.441 1.00 0.00 C ATOM 394 O GLN A 27 -7.831 7.396 -1.449 1.00 0.00 O ATOM 395 CB GLN A 27 -10.797 8.355 -2.472 1.00 0.00 C ATOM 396 CG GLN A 27 -11.752 8.914 -3.515 1.00 0.00 C ATOM 397 CD GLN A 27 -11.839 8.042 -4.752 1.00 0.00 C ATOM 398 OE1 GLN A 27 -11.823 6.815 -4.663 1.00 0.00 O ATOM 399 NE2 GLN A 27 -11.933 8.674 -5.917 1.00 0.00 N ATOM 0 H GLN A 27 -8.756 7.265 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.341 9.915 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.822 7.266 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.146 8.643 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.745 9.016 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.426 9.914 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.943 9.694 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.995 8.140 -6.784 1.00 0.00 H new ATOM 408 N PRO A 28 -8.580 9.229 -0.375 1.00 0.00 N ATOM 409 CA PRO A 28 -7.837 8.970 0.861 1.00 0.00 C ATOM 410 C PRO A 28 -8.382 7.767 1.624 1.00 0.00 C ATOM 411 O PRO A 28 -9.192 7.914 2.541 1.00 0.00 O ATOM 412 CB PRO A 28 -8.038 10.253 1.672 1.00 0.00 C ATOM 413 CG PRO A 28 -9.315 10.826 1.163 1.00 0.00 C ATOM 414 CD PRO A 28 -9.380 10.463 -0.295 1.00 0.00 C ATOM 0 HA PRO A 28 -6.791 8.733 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.097 10.041 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.209 10.946 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.169 10.419 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.338 11.907 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.406 10.298 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.967 11.251 -0.924 1.00 0.00 H new ATOM 422 N THR A 29 -7.932 6.577 1.242 1.00 0.00 N ATOM 423 CA THR A 29 -8.375 5.347 1.889 1.00 0.00 C ATOM 424 C THR A 29 -7.846 5.257 3.315 1.00 0.00 C ATOM 425 O THR A 29 -7.227 6.194 3.820 1.00 0.00 O ATOM 426 CB THR A 29 -7.919 4.104 1.104 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.838 3.026 1.317 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.522 3.676 1.529 1.00 0.00 C ATOM 0 H THR A 29 -7.260 6.438 0.487 1.00 0.00 H new ATOM 0 HA THR A 29 -9.464 5.374 1.909 1.00 0.00 H new ATOM 0 HB THR A 29 -7.897 4.360 0.045 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.542 2.239 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.222 2.796 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.819 4.487 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.522 3.438 2.593 1.00 0.00 H new ATOM 436 N PHE A 30 -8.091 4.121 3.962 1.00 0.00 N ATOM 437 CA PHE A 30 -7.639 3.907 5.331 1.00 0.00 C ATOM 438 C PHE A 30 -6.465 2.932 5.371 1.00 0.00 C ATOM 439 O PHE A 30 -6.474 1.906 4.690 1.00 0.00 O ATOM 440 CB PHE A 30 -8.786 3.377 6.193 1.00 0.00 C ATOM 441 CG PHE A 30 -8.376 3.043 7.598 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.221 4.042 8.545 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.146 1.729 7.973 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.843 3.737 9.839 1.00 0.00 C ATOM 445 CE2 PHE A 30 -7.767 1.418 9.265 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.618 2.423 10.200 1.00 0.00 C ATOM 0 H PHE A 30 -8.601 3.335 3.559 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.306 4.865 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.581 4.122 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.201 2.486 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.398 5.071 8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.264 0.938 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.724 4.526 10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.588 0.390 9.543 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.326 2.182 11.212 1.00 0.00 H new ATOM 456 N CYS A 31 -5.458 3.262 6.172 1.00 0.00 N ATOM 457 CA CYS A 31 -4.276 2.417 6.302 1.00 0.00 C ATOM 458 C CYS A 31 -4.411 1.472 7.492 1.00 0.00 C ATOM 459 O CYS A 31 -5.232 1.691 8.382 1.00 0.00 O ATOM 460 CB CYS A 31 -3.023 3.280 6.459 1.00 0.00 C ATOM 461 SG CYS A 31 -1.480 2.325 6.628 1.00 0.00 S ATOM 0 H CYS A 31 -5.436 4.108 6.741 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.185 1.818 5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.938 3.939 5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.141 3.918 7.335 1.00 0.00 H new ATOM 466 N SER A 32 -3.597 0.421 7.500 1.00 0.00 N ATOM 467 CA SER A 32 -3.626 -0.559 8.579 1.00 0.00 C ATOM 468 C SER A 32 -2.472 -0.335 9.550 1.00 0.00 C ATOM 469 O SER A 32 -2.651 -0.377 10.767 1.00 0.00 O ATOM 470 CB SER A 32 -3.560 -1.978 8.010 1.00 0.00 C ATOM 471 OG SER A 32 -3.353 -2.931 9.037 1.00 0.00 O ATOM 0 H SER A 32 -2.910 0.227 6.772 1.00 0.00 H new ATOM 0 HA SER A 32 -4.563 -0.435 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.486 -2.204 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.752 -2.043 7.281 1.00 0.00 H new ATOM 0 HG SER A 32 -3.316 -3.829 8.647 1.00 0.00 H new ATOM 477 N VAL A 33 -1.285 -0.094 9.002 1.00 0.00 N ATOM 478 CA VAL A 33 -0.099 0.140 9.818 1.00 0.00 C ATOM 479 C VAL A 33 -0.228 1.431 10.619 1.00 0.00 C ATOM 480 O VAL A 33 -0.386 1.404 11.839 1.00 0.00 O ATOM 481 CB VAL A 33 1.173 0.210 8.953 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.365 0.651 9.789 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.443 -1.134 8.293 1.00 0.00 C ATOM 0 H VAL A 33 -1.119 -0.056 7.996 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.016 -0.703 10.504 1.00 0.00 H new ATOM 0 HB VAL A 33 1.017 0.950 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.254 0.694 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.169 1.637 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.527 -0.062 10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.346 -1.066 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.579 -1.896 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.598 -1.404 7.659 1.00 0.00 H new ATOM 493 N CYS A 34 -0.161 2.560 9.923 1.00 0.00 N ATOM 494 CA CYS A 34 -0.270 3.864 10.567 1.00 0.00 C ATOM 495 C CYS A 34 -1.732 4.275 10.719 1.00 0.00 C ATOM 496 O CYS A 34 -2.103 4.949 11.680 1.00 0.00 O ATOM 497 CB CYS A 34 0.488 4.920 9.761 1.00 0.00 C ATOM 498 SG CYS A 34 -0.365 5.448 8.240 1.00 0.00 S ATOM 0 H CYS A 34 -0.032 2.599 8.912 1.00 0.00 H new ATOM 0 HA CYS A 34 0.173 3.789 11.560 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.656 5.793 10.392 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.469 4.525 9.496 1.00 0.00 H new ATOM 503 N LYS A 35 -2.557 3.865 9.762 1.00 0.00 N ATOM 504 CA LYS A 35 -3.979 4.188 9.788 1.00 0.00 C ATOM 505 C LYS A 35 -4.198 5.690 9.641 1.00 0.00 C ATOM 506 O LYS A 35 -4.855 6.316 10.474 1.00 0.00 O ATOM 507 CB LYS A 35 -4.612 3.695 11.091 1.00 0.00 C ATOM 508 CG LYS A 35 -4.322 2.234 11.393 1.00 0.00 C ATOM 509 CD LYS A 35 -4.774 1.854 12.793 1.00 0.00 C ATOM 510 CE LYS A 35 -3.848 2.431 13.852 1.00 0.00 C ATOM 511 NZ LYS A 35 -3.917 1.663 15.127 1.00 0.00 N ATOM 0 H LYS A 35 -2.266 3.308 8.958 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.456 3.685 8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.248 4.307 11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.691 3.839 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.828 1.603 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.253 2.046 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.789 2.215 12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.803 0.768 12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.823 2.426 13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.114 3.471 14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.272 2.088 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.889 1.688 15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.638 0.676 14.953 1.00 0.00 H new ATOM 525 N ASP A 36 -3.647 6.263 8.577 1.00 0.00 N ATOM 526 CA ASP A 36 -3.784 7.691 8.319 1.00 0.00 C ATOM 527 C ASP A 36 -4.209 7.945 6.876 1.00 0.00 C ATOM 528 O ASP A 36 -3.789 7.238 5.961 1.00 0.00 O ATOM 529 CB ASP A 36 -2.468 8.413 8.611 1.00 0.00 C ATOM 530 CG ASP A 36 -2.246 8.636 10.094 1.00 0.00 C ATOM 531 OD1 ASP A 36 -2.899 9.535 10.664 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.418 7.911 10.685 1.00 0.00 O ATOM 0 H ASP A 36 -3.100 5.759 7.878 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.558 8.081 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.640 7.831 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.463 9.374 8.097 1.00 0.00 H new ATOM 537 N PHE A 37 -5.047 8.959 6.681 1.00 0.00 N ATOM 538 CA PHE A 37 -5.531 9.305 5.350 1.00 0.00 C ATOM 539 C PHE A 37 -4.461 9.035 4.296 1.00 0.00 C ATOM 540 O PHE A 37 -3.557 9.843 4.092 1.00 0.00 O ATOM 541 CB PHE A 37 -5.949 10.776 5.303 1.00 0.00 C ATOM 542 CG PHE A 37 -6.475 11.291 6.612 1.00 0.00 C ATOM 543 CD1 PHE A 37 -5.606 11.738 7.595 1.00 0.00 C ATOM 544 CD2 PHE A 37 -7.838 11.331 6.859 1.00 0.00 C ATOM 545 CE1 PHE A 37 -6.087 12.212 8.801 1.00 0.00 C ATOM 546 CE2 PHE A 37 -8.325 11.806 8.064 1.00 0.00 C ATOM 547 CZ PHE A 37 -7.448 12.247 9.035 1.00 0.00 C ATOM 0 H PHE A 37 -5.404 9.555 7.428 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.398 8.681 5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.093 11.379 5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.714 10.904 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.541 11.716 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.528 10.988 6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.399 12.555 9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.389 11.832 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.826 12.619 9.976 1.00 0.00 H new ATOM 557 N VAL A 38 -4.573 7.891 3.628 1.00 0.00 N ATOM 558 CA VAL A 38 -3.617 7.512 2.593 1.00 0.00 C ATOM 559 C VAL A 38 -3.729 8.430 1.381 1.00 0.00 C ATOM 560 O VAL A 38 -4.276 8.046 0.347 1.00 0.00 O ATOM 561 CB VAL A 38 -3.826 6.055 2.142 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.799 5.670 1.088 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.757 5.113 3.334 1.00 0.00 C ATOM 0 H VAL A 38 -5.316 7.210 3.785 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.623 7.609 3.029 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.818 5.969 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.962 4.637 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.902 6.326 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.796 5.771 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.907 4.087 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.780 5.199 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.534 5.376 4.051 1.00 0.00 H new ATOM 573 N TRP A 39 -3.206 9.643 1.514 1.00 0.00 N ATOM 574 CA TRP A 39 -3.246 10.616 0.429 1.00 0.00 C ATOM 575 C TRP A 39 -2.031 11.537 0.478 1.00 0.00 C ATOM 576 O TRP A 39 -1.509 11.834 1.552 1.00 0.00 O ATOM 577 CB TRP A 39 -4.531 11.441 0.503 1.00 0.00 C ATOM 578 CG TRP A 39 -4.480 12.529 1.533 1.00 0.00 C ATOM 579 CD1 TRP A 39 -3.764 12.523 2.697 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.176 13.779 1.495 1.00 0.00 C ATOM 581 NE1 TRP A 39 -3.972 13.694 3.383 1.00 0.00 N ATOM 582 CE2 TRP A 39 -4.834 14.483 2.667 1.00 0.00 C ATOM 583 CE3 TRP A 39 -6.053 14.374 0.585 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.340 15.749 2.950 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -6.554 15.631 0.866 1.00 0.00 C ATOM 586 CH2 TRP A 39 -6.196 16.308 2.040 1.00 0.00 C ATOM 0 H TRP A 39 -2.749 9.976 2.363 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.227 10.071 -0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.727 11.884 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.367 10.778 0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.128 11.716 3.029 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.553 13.937 4.280 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.335 13.861 -0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.067 16.271 3.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -7.233 16.100 0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.604 17.290 2.230 1.00 0.00 H new ATOM 597 N GLY A 40 -1.587 11.987 -0.692 1.00 0.00 N ATOM 598 CA GLY A 40 -0.438 12.871 -0.758 1.00 0.00 C ATOM 599 C GLY A 40 -0.285 13.522 -2.118 1.00 0.00 C ATOM 600 O GLY A 40 -1.257 14.020 -2.689 1.00 0.00 O ATOM 0 H GLY A 40 -2.002 11.755 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.535 13.645 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.465 12.306 -0.525 1.00 0.00 H new ATOM 604 N LEU A 41 0.936 13.522 -2.639 1.00 0.00 N ATOM 605 CA LEU A 41 1.213 14.119 -3.941 1.00 0.00 C ATOM 606 C LEU A 41 1.384 13.044 -5.009 1.00 0.00 C ATOM 607 O LEU A 41 2.498 12.602 -5.286 1.00 0.00 O ATOM 608 CB LEU A 41 2.471 14.986 -3.869 1.00 0.00 C ATOM 609 CG LEU A 41 2.309 16.350 -3.196 1.00 0.00 C ATOM 610 CD1 LEU A 41 3.625 16.805 -2.586 1.00 0.00 C ATOM 611 CD2 LEU A 41 1.798 17.379 -4.194 1.00 0.00 C ATOM 0 H LEU A 41 1.751 13.115 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 41 0.363 14.744 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.242 14.429 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.837 15.145 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 41 1.576 16.253 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.489 17.777 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.950 16.080 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.380 16.885 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.689 18.344 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.508 17.472 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.831 17.059 -4.583 1.00 0.00 H new ATOM 623 N ASN A 42 0.272 12.628 -5.605 1.00 0.00 N ATOM 624 CA ASN A 42 0.298 11.605 -6.644 1.00 0.00 C ATOM 625 C ASN A 42 1.335 10.531 -6.325 1.00 0.00 C ATOM 626 O ASN A 42 2.069 10.079 -7.204 1.00 0.00 O ATOM 627 CB ASN A 42 0.605 12.236 -8.003 1.00 0.00 C ATOM 628 CG ASN A 42 0.161 11.362 -9.161 1.00 0.00 C ATOM 629 OD1 ASN A 42 -1.032 11.118 -9.347 1.00 0.00 O ATOM 630 ND2 ASN A 42 1.121 10.886 -9.946 1.00 0.00 N ATOM 0 H ASN A 42 -0.659 12.983 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.686 11.137 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.109 13.204 -8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.676 12.421 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.883 10.292 -10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.097 11.114 -9.754 1.00 0.00 H new ATOM 637 N LYS A 43 1.390 10.128 -5.060 1.00 0.00 N ATOM 638 CA LYS A 43 2.334 9.106 -4.623 1.00 0.00 C ATOM 639 C LYS A 43 1.618 7.791 -4.335 1.00 0.00 C ATOM 640 O LYS A 43 1.188 7.541 -3.208 1.00 0.00 O ATOM 641 CB LYS A 43 3.081 9.576 -3.373 1.00 0.00 C ATOM 642 CG LYS A 43 4.305 8.736 -3.044 1.00 0.00 C ATOM 643 CD LYS A 43 5.456 9.036 -3.988 1.00 0.00 C ATOM 644 CE LYS A 43 6.781 8.546 -3.424 1.00 0.00 C ATOM 645 NZ LYS A 43 7.064 7.138 -3.818 1.00 0.00 N ATOM 0 H LYS A 43 0.792 10.494 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 43 3.050 8.940 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.389 10.612 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.399 9.557 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.615 8.930 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.049 7.678 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.271 8.561 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.510 10.110 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.586 9.191 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.764 8.623 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.975 6.841 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.309 6.519 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.106 7.069 -4.855 1.00 0.00 H new ATOM 659 N GLN A 44 1.494 6.953 -5.360 1.00 0.00 N ATOM 660 CA GLN A 44 0.831 5.663 -5.216 1.00 0.00 C ATOM 661 C GLN A 44 1.302 4.946 -3.954 1.00 0.00 C ATOM 662 O GLN A 44 2.375 5.237 -3.427 1.00 0.00 O ATOM 663 CB GLN A 44 1.097 4.789 -6.441 1.00 0.00 C ATOM 664 CG GLN A 44 2.574 4.554 -6.712 1.00 0.00 C ATOM 665 CD GLN A 44 3.269 5.783 -7.262 1.00 0.00 C ATOM 666 OE1 GLN A 44 4.043 6.438 -6.563 1.00 0.00 O ATOM 667 NE2 GLN A 44 2.997 6.104 -8.522 1.00 0.00 N ATOM 0 H GLN A 44 1.844 7.145 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.241 5.842 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.604 3.827 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.646 5.257 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.065 4.247 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.683 3.732 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.349 5.533 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.436 6.921 -8.946 1.00 0.00 H new ATOM 676 N GLY A 45 0.491 4.008 -3.474 1.00 0.00 N ATOM 677 CA GLY A 45 0.843 3.266 -2.277 1.00 0.00 C ATOM 678 C GLY A 45 0.978 1.778 -2.537 1.00 0.00 C ATOM 679 O GLY A 45 1.465 1.367 -3.590 1.00 0.00 O ATOM 0 H GLY A 45 -0.403 3.749 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.783 3.649 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.082 3.431 -1.514 1.00 0.00 H new ATOM 683 N TYR A 46 0.548 0.970 -1.575 1.00 0.00 N ATOM 684 CA TYR A 46 0.628 -0.480 -1.704 1.00 0.00 C ATOM 685 C TYR A 46 -0.663 -1.141 -1.229 1.00 0.00 C ATOM 686 O TYR A 46 -1.255 -0.730 -0.231 1.00 0.00 O ATOM 687 CB TYR A 46 1.814 -1.020 -0.902 1.00 0.00 C ATOM 688 CG TYR A 46 3.158 -0.620 -1.468 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.397 -0.657 -2.836 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.188 -0.204 -0.634 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.624 -0.293 -3.357 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.418 0.163 -1.146 1.00 0.00 C ATOM 693 CZ TYR A 46 5.631 0.116 -2.508 1.00 0.00 C ATOM 694 OH TYR A 46 6.854 0.481 -3.023 1.00 0.00 O ATOM 0 H TYR A 46 0.141 1.294 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 46 0.771 -0.718 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.740 -0.663 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.753 -2.108 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.610 -0.976 -3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.025 -0.167 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.793 -0.329 -4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.208 0.485 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 46 7.451 0.744 -2.292 1.00 0.00 H new ATOM 704 N LYS A 47 -1.094 -2.170 -1.952 1.00 0.00 N ATOM 705 CA LYS A 47 -2.314 -2.891 -1.607 1.00 0.00 C ATOM 706 C LYS A 47 -2.180 -4.374 -1.936 1.00 0.00 C ATOM 707 O LYS A 47 -1.839 -4.742 -3.061 1.00 0.00 O ATOM 708 CB LYS A 47 -3.510 -2.298 -2.352 1.00 0.00 C ATOM 709 CG LYS A 47 -4.771 -3.138 -2.246 1.00 0.00 C ATOM 710 CD LYS A 47 -6.006 -2.344 -2.639 1.00 0.00 C ATOM 711 CE LYS A 47 -7.281 -3.035 -2.181 1.00 0.00 C ATOM 712 NZ LYS A 47 -7.553 -2.797 -0.736 1.00 0.00 N ATOM 0 H LYS A 47 -0.616 -2.523 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.476 -2.788 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.714 -1.301 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.250 -2.180 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.681 -4.014 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.882 -3.502 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.954 -1.347 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.029 -2.216 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.122 -2.674 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.199 -4.106 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.430 -3.284 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.762 -3.164 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.657 -1.776 -0.566 1.00 0.00 H new ATOM 726 N CYS A 48 -2.451 -5.222 -0.950 1.00 0.00 N ATOM 727 CA CYS A 48 -2.363 -6.665 -1.135 1.00 0.00 C ATOM 728 C CYS A 48 -3.608 -7.201 -1.836 1.00 0.00 C ATOM 729 O CYS A 48 -4.720 -7.091 -1.318 1.00 0.00 O ATOM 730 CB CYS A 48 -2.183 -7.364 0.214 1.00 0.00 C ATOM 731 SG CYS A 48 -1.728 -9.123 0.086 1.00 0.00 S ATOM 0 H CYS A 48 -2.734 -4.934 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.496 -6.873 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.413 -6.841 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.110 -7.280 0.781 1.00 0.00 H new ATOM 736 N ARG A 49 -3.414 -7.781 -3.015 1.00 0.00 N ATOM 737 CA ARG A 49 -4.520 -8.333 -3.788 1.00 0.00 C ATOM 738 C ARG A 49 -4.982 -9.663 -3.201 1.00 0.00 C ATOM 739 O ARG A 49 -5.809 -10.359 -3.790 1.00 0.00 O ATOM 740 CB ARG A 49 -4.107 -8.523 -5.248 1.00 0.00 C ATOM 741 CG ARG A 49 -2.744 -9.177 -5.414 1.00 0.00 C ATOM 742 CD ARG A 49 -2.634 -9.902 -6.748 1.00 0.00 C ATOM 743 NE ARG A 49 -3.515 -11.063 -6.814 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.844 -11.673 -7.948 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.365 -11.233 -9.104 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.651 -12.725 -7.927 1.00 0.00 N ATOM 0 H ARG A 49 -2.500 -7.881 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.349 -7.627 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.857 -9.132 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.098 -7.552 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.964 -8.419 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.576 -9.882 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.881 -9.213 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.603 -10.220 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.900 -11.426 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.743 -10.425 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.619 -11.703 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.020 -13.067 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.903 -13.192 -8.798 1.00 0.00 H new ATOM 760 N GLN A 50 -4.441 -10.011 -2.037 1.00 0.00 N ATOM 761 CA GLN A 50 -4.797 -11.259 -1.373 1.00 0.00 C ATOM 762 C GLN A 50 -5.700 -10.998 -0.171 1.00 0.00 C ATOM 763 O GLN A 50 -6.794 -11.554 -0.071 1.00 0.00 O ATOM 764 CB GLN A 50 -3.536 -12.000 -0.925 1.00 0.00 C ATOM 765 CG GLN A 50 -2.566 -12.291 -2.059 1.00 0.00 C ATOM 766 CD GLN A 50 -2.863 -13.602 -2.760 1.00 0.00 C ATOM 767 OE1 GLN A 50 -3.073 -13.638 -3.972 1.00 0.00 O ATOM 768 NE2 GLN A 50 -2.879 -14.690 -1.998 1.00 0.00 N ATOM 0 H GLN A 50 -3.755 -9.447 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.341 -11.878 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.027 -11.407 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.825 -12.940 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.607 -11.478 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.550 -12.316 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.699 -14.614 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.071 -15.601 -2.414 1.00 0.00 H new ATOM 777 N CYS A 51 -5.235 -10.148 0.738 1.00 0.00 N ATOM 778 CA CYS A 51 -5.999 -9.813 1.934 1.00 0.00 C ATOM 779 C CYS A 51 -6.656 -8.442 1.792 1.00 0.00 C ATOM 780 O CYS A 51 -7.529 -8.077 2.579 1.00 0.00 O ATOM 781 CB CYS A 51 -5.094 -9.833 3.166 1.00 0.00 C ATOM 782 SG CYS A 51 -3.659 -8.717 3.052 1.00 0.00 S ATOM 0 H CYS A 51 -4.332 -9.678 0.669 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.782 -10.561 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.684 -9.561 4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.738 -10.851 3.325 1.00 0.00 H new ATOM 787 N ASN A 52 -6.229 -7.689 0.785 1.00 0.00 N ATOM 788 CA ASN A 52 -6.774 -6.358 0.541 1.00 0.00 C ATOM 789 C ASN A 52 -6.370 -5.392 1.651 1.00 0.00 C ATOM 790 O ASN A 52 -7.217 -4.744 2.263 1.00 0.00 O ATOM 791 CB ASN A 52 -8.299 -6.420 0.434 1.00 0.00 C ATOM 792 CG ASN A 52 -8.781 -7.696 -0.230 1.00 0.00 C ATOM 793 OD1 ASN A 52 -8.081 -8.278 -1.060 1.00 0.00 O ATOM 794 ND2 ASN A 52 -9.981 -8.135 0.132 1.00 0.00 N ATOM 0 H ASN A 52 -5.507 -7.977 0.124 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.365 -5.993 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.734 -6.346 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.656 -5.561 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.358 -8.988 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.525 -7.620 0.824 1.00 0.00 H new ATOM 801 N ALA A 53 -5.068 -5.302 1.904 1.00 0.00 N ATOM 802 CA ALA A 53 -4.550 -4.414 2.936 1.00 0.00 C ATOM 803 C ALA A 53 -3.807 -3.233 2.323 1.00 0.00 C ATOM 804 O ALA A 53 -2.675 -3.371 1.862 1.00 0.00 O ATOM 805 CB ALA A 53 -3.638 -5.180 3.883 1.00 0.00 C ATOM 0 H ALA A 53 -4.353 -5.834 1.408 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.396 -4.023 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.258 -4.504 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.199 -5.986 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.802 -5.600 3.323 1.00 0.00 H new ATOM 811 N ALA A 54 -4.451 -2.070 2.321 1.00 0.00 N ATOM 812 CA ALA A 54 -3.850 -0.864 1.765 1.00 0.00 C ATOM 813 C ALA A 54 -2.999 -0.145 2.807 1.00 0.00 C ATOM 814 O ALA A 54 -3.493 0.239 3.867 1.00 0.00 O ATOM 815 CB ALA A 54 -4.930 0.065 1.230 1.00 0.00 C ATOM 0 H ALA A 54 -5.389 -1.938 2.698 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.199 -1.158 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.467 0.962 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.494 -0.444 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.604 0.344 2.040 1.00 0.00 H new ATOM 821 N ILE A 55 -1.719 0.034 2.497 1.00 0.00 N ATOM 822 CA ILE A 55 -0.801 0.707 3.406 1.00 0.00 C ATOM 823 C ILE A 55 0.074 1.709 2.662 1.00 0.00 C ATOM 824 O ILE A 55 0.001 1.824 1.438 1.00 0.00 O ATOM 825 CB ILE A 55 0.104 -0.300 4.141 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.159 -0.862 3.185 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.731 -1.424 4.738 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.252 -1.641 3.884 1.00 0.00 C ATOM 0 H ILE A 55 -1.295 -0.278 1.623 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.413 1.235 4.137 1.00 0.00 H new ATOM 0 HB ILE A 55 0.615 0.217 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.670 -1.510 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.609 -0.040 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.078 -2.128 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.448 -1.008 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.266 -1.942 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.965 -2.010 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.766 -0.991 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.813 -2.484 4.418 1.00 0.00 H new ATOM 840 N HIS A 56 0.902 2.434 3.408 1.00 0.00 N ATOM 841 CA HIS A 56 1.794 3.426 2.818 1.00 0.00 C ATOM 842 C HIS A 56 3.101 2.781 2.367 1.00 0.00 C ATOM 843 O HIS A 56 3.558 1.801 2.956 1.00 0.00 O ATOM 844 CB HIS A 56 2.082 4.543 3.821 1.00 0.00 C ATOM 845 CG HIS A 56 0.874 5.354 4.178 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.143 4.877 4.977 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.526 6.618 3.841 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.067 5.811 5.114 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.685 6.879 4.435 1.00 0.00 N ATOM 0 H HIS A 56 0.974 2.353 4.422 1.00 0.00 H new ATOM 0 HA HIS A 56 1.299 3.851 1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.498 4.106 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.844 5.204 3.408 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.094 7.295 3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.980 5.718 5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.204 7.754 4.364 1.00 0.00 H new ATOM 857 N LYS A 57 3.698 3.337 1.318 1.00 0.00 N ATOM 858 CA LYS A 57 4.953 2.818 0.787 1.00 0.00 C ATOM 859 C LYS A 57 5.997 2.685 1.892 1.00 0.00 C ATOM 860 O LYS A 57 6.893 1.844 1.815 1.00 0.00 O ATOM 861 CB LYS A 57 5.480 3.734 -0.320 1.00 0.00 C ATOM 862 CG LYS A 57 6.528 3.080 -1.203 1.00 0.00 C ATOM 863 CD LYS A 57 7.493 4.104 -1.775 1.00 0.00 C ATOM 864 CE LYS A 57 8.683 4.324 -0.853 1.00 0.00 C ATOM 865 NZ LYS A 57 9.557 3.121 -0.778 1.00 0.00 N ATOM 0 H LYS A 57 3.332 4.148 0.818 1.00 0.00 H new ATOM 0 HA LYS A 57 4.762 1.829 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.644 4.057 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.906 4.629 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.082 2.340 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.038 2.546 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.844 3.769 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.972 5.049 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.265 5.174 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.327 4.577 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.518 3.407 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.176 2.459 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.588 2.656 -1.708 1.00 0.00 H new ATOM 879 N LYS A 58 5.875 3.519 2.919 1.00 0.00 N ATOM 880 CA LYS A 58 6.806 3.493 4.040 1.00 0.00 C ATOM 881 C LYS A 58 6.317 2.546 5.131 1.00 0.00 C ATOM 882 O LYS A 58 7.115 1.975 5.875 1.00 0.00 O ATOM 883 CB LYS A 58 6.985 4.900 4.614 1.00 0.00 C ATOM 884 CG LYS A 58 5.692 5.522 5.115 1.00 0.00 C ATOM 885 CD LYS A 58 5.956 6.590 6.163 1.00 0.00 C ATOM 886 CE LYS A 58 6.010 5.997 7.563 1.00 0.00 C ATOM 887 NZ LYS A 58 6.422 7.007 8.577 1.00 0.00 N ATOM 0 H LYS A 58 5.140 4.222 2.998 1.00 0.00 H new ATOM 0 HA LYS A 58 7.767 3.132 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.701 4.860 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.415 5.544 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.149 5.960 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.054 4.746 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.898 7.092 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.173 7.347 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.031 5.597 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.710 5.162 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.447 6.564 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.367 7.371 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.740 7.792 8.582 1.00 0.00 H new ATOM 901 N CYS A 59 5.002 2.384 5.221 1.00 0.00 N ATOM 902 CA CYS A 59 4.406 1.505 6.220 1.00 0.00 C ATOM 903 C CYS A 59 4.737 0.045 5.928 1.00 0.00 C ATOM 904 O CYS A 59 4.645 -0.811 6.808 1.00 0.00 O ATOM 905 CB CYS A 59 2.888 1.697 6.259 1.00 0.00 C ATOM 906 SG CYS A 59 2.350 3.185 7.161 1.00 0.00 S ATOM 0 H CYS A 59 4.328 2.850 4.614 1.00 0.00 H new ATOM 0 HA CYS A 59 4.824 1.766 7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.513 1.749 5.237 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.433 0.821 6.721 1.00 0.00 H new ATOM 911 N ILE A 60 5.124 -0.232 4.688 1.00 0.00 N ATOM 912 CA ILE A 60 5.470 -1.587 4.279 1.00 0.00 C ATOM 913 C ILE A 60 6.620 -2.137 5.117 1.00 0.00 C ATOM 914 O ILE A 60 6.593 -3.291 5.546 1.00 0.00 O ATOM 915 CB ILE A 60 5.862 -1.645 2.791 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.511 -3.011 2.200 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.347 -1.355 2.623 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.631 -3.067 0.694 1.00 0.00 C ATOM 0 H ILE A 60 5.206 0.465 3.948 1.00 0.00 H new ATOM 0 HA ILE A 60 4.582 -2.199 4.436 1.00 0.00 H new ATOM 0 HB ILE A 60 5.299 -0.883 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.165 -3.766 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.491 -3.270 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.609 -1.400 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.570 -0.361 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.927 -2.097 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.367 -4.065 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.956 -2.336 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.656 -2.840 0.402 1.00 0.00 H new ATOM 930 N ASP A 61 7.627 -1.302 5.349 1.00 0.00 N ATOM 931 CA ASP A 61 8.786 -1.703 6.140 1.00 0.00 C ATOM 932 C ASP A 61 8.460 -1.682 7.630 1.00 0.00 C ATOM 933 O ASP A 61 9.307 -1.995 8.466 1.00 0.00 O ATOM 934 CB ASP A 61 9.971 -0.780 5.851 1.00 0.00 C ATOM 935 CG ASP A 61 10.409 -0.837 4.400 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.754 -1.940 3.927 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.404 0.221 3.738 1.00 0.00 O ATOM 0 H ASP A 61 7.665 -0.344 5.001 1.00 0.00 H new ATOM 0 HA ASP A 61 9.052 -2.722 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.700 0.245 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.808 -1.057 6.491 1.00 0.00 H new ATOM 942 N LYS A 62 7.227 -1.310 7.956 1.00 0.00 N ATOM 943 CA LYS A 62 6.788 -1.248 9.344 1.00 0.00 C ATOM 944 C LYS A 62 5.927 -2.457 9.698 1.00 0.00 C ATOM 945 O LYS A 62 5.836 -2.847 10.862 1.00 0.00 O ATOM 946 CB LYS A 62 6.002 0.041 9.596 1.00 0.00 C ATOM 947 CG LYS A 62 6.797 1.303 9.307 1.00 0.00 C ATOM 948 CD LYS A 62 7.544 1.787 10.538 1.00 0.00 C ATOM 949 CE LYS A 62 6.608 2.462 11.528 1.00 0.00 C ATOM 950 NZ LYS A 62 6.161 3.799 11.047 1.00 0.00 N ATOM 0 H LYS A 62 6.513 -1.047 7.276 1.00 0.00 H new ATOM 0 HA LYS A 62 7.674 -1.256 9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.105 0.037 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.672 0.059 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.507 1.111 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.124 2.086 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.038 0.944 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.325 2.486 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.738 1.827 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.113 2.572 12.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.711 4.317 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.982 4.336 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.477 3.679 10.273 1.00 0.00 H new ATOM 964 N ILE A 63 5.299 -3.046 8.686 1.00 0.00 N ATOM 965 CA ILE A 63 4.448 -4.212 8.890 1.00 0.00 C ATOM 966 C ILE A 63 5.127 -5.237 9.792 1.00 0.00 C ATOM 967 O ILE A 63 6.348 -5.395 9.759 1.00 0.00 O ATOM 968 CB ILE A 63 4.083 -4.883 7.553 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.146 -3.984 6.745 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.442 -6.241 7.801 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.910 -4.471 5.333 1.00 0.00 C ATOM 0 H ILE A 63 5.363 -2.735 7.717 1.00 0.00 H new ATOM 0 HA ILE A 63 3.536 -3.857 9.370 1.00 0.00 H new ATOM 0 HB ILE A 63 4.996 -5.033 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.189 -3.914 7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.563 -2.978 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.189 -6.704 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.141 -6.880 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.536 -6.113 8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.236 -3.785 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.860 -4.514 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.464 -5.465 5.361 1.00 0.00 H new ATOM 983 N ILE A 64 4.328 -5.930 10.596 1.00 0.00 N ATOM 984 CA ILE A 64 4.852 -6.943 11.505 1.00 0.00 C ATOM 985 C ILE A 64 3.922 -8.148 11.581 1.00 0.00 C ATOM 986 O ILE A 64 2.837 -8.073 12.158 1.00 0.00 O ATOM 987 CB ILE A 64 5.055 -6.375 12.923 1.00 0.00 C ATOM 988 CG1 ILE A 64 6.117 -5.274 12.908 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.448 -7.485 13.886 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.976 -4.282 14.042 1.00 0.00 C ATOM 0 H ILE A 64 3.316 -5.809 10.637 1.00 0.00 H new ATOM 0 HA ILE A 64 5.816 -7.257 11.106 1.00 0.00 H new ATOM 0 HB ILE A 64 4.115 -5.941 13.263 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.105 -5.732 12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.061 -4.740 11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.588 -7.069 14.884 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.660 -8.238 13.914 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.378 -7.945 13.551 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.762 -3.531 13.968 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.002 -3.796 13.981 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.062 -4.804 14.995 1.00 0.00 H new ATOM 1002 N GLY A 65 4.354 -9.261 10.996 1.00 0.00 N ATOM 1003 CA GLY A 65 3.549 -10.468 11.010 1.00 0.00 C ATOM 1004 C GLY A 65 3.588 -11.206 9.686 1.00 0.00 C ATOM 1005 O GLY A 65 4.650 -11.358 9.083 1.00 0.00 O ATOM 0 H GLY A 65 5.248 -9.348 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.904 -11.128 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.517 -10.210 11.249 1.00 0.00 H new ATOM 1009 N ARG A 66 2.426 -11.668 9.234 1.00 0.00 N ATOM 1010 CA ARG A 66 2.332 -12.397 7.974 1.00 0.00 C ATOM 1011 C ARG A 66 0.989 -12.140 7.297 1.00 0.00 C ATOM 1012 O ARG A 66 0.092 -11.534 7.883 1.00 0.00 O ATOM 1013 CB ARG A 66 2.518 -13.896 8.214 1.00 0.00 C ATOM 1014 CG ARG A 66 3.846 -14.249 8.864 1.00 0.00 C ATOM 1015 CD ARG A 66 3.915 -15.724 9.224 1.00 0.00 C ATOM 1016 NE ARG A 66 4.309 -16.549 8.086 1.00 0.00 N ATOM 1017 CZ ARG A 66 4.946 -17.709 8.203 1.00 0.00 C ATOM 1018 NH1 ARG A 66 5.258 -18.178 9.403 1.00 0.00 N ATOM 1019 NH2 ARG A 66 5.273 -18.400 7.119 1.00 0.00 N ATOM 0 H ARG A 66 1.537 -11.551 9.721 1.00 0.00 H new ATOM 0 HA ARG A 66 3.124 -12.041 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.707 -14.258 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.439 -14.420 7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.662 -14.000 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.984 -13.647 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.627 -15.865 10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.943 -16.053 9.591 1.00 0.00 H new ATOM 0 HE ARG A 66 4.083 -16.216 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.009 -17.648 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.747 -19.069 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.035 -18.041 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.762 -19.290 7.210 1.00 0.00 H new ATOM 1033 N CYS A 67 0.858 -12.607 6.060 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.375 -12.430 5.301 1.00 0.00 C ATOM 1035 C CYS A 67 -1.360 -13.557 5.593 1.00 0.00 C ATOM 1036 O CYS A 67 -0.969 -14.713 5.758 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.073 -12.377 3.802 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.528 -12.034 2.762 1.00 0.00 S ATOM 0 H CYS A 67 1.591 -13.111 5.561 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.828 -11.487 5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.679 -11.609 3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.363 -13.328 3.496 1.00 0.00 H new ATOM 1043 N THR A 68 -2.643 -13.214 5.655 1.00 0.00 N ATOM 1044 CA THR A 68 -3.685 -14.196 5.928 1.00 0.00 C ATOM 1045 C THR A 68 -4.005 -15.018 4.684 1.00 0.00 C ATOM 1046 O THR A 68 -4.248 -16.221 4.769 1.00 0.00 O ATOM 1047 CB THR A 68 -4.976 -13.520 6.428 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.987 -14.507 6.662 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.480 -12.500 5.418 1.00 0.00 C ATOM 0 H THR A 68 -2.985 -12.263 5.520 1.00 0.00 H new ATOM 0 HA THR A 68 -3.303 -14.855 6.708 1.00 0.00 H new ATOM 0 HB THR A 68 -4.751 -13.003 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.804 -14.069 6.981 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.392 -12.036 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.720 -11.734 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.689 -12.998 4.471 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.001 -14.360 3.529 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.291 -15.047 2.284 1.00 0.00 C ATOM 1059 C GLY A 69 -5.533 -14.508 1.600 1.00 0.00 C ATOM 1060 O GLY A 69 -5.485 -13.471 0.937 1.00 0.00 O ATOM 0 H GLY A 69 -3.802 -13.364 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.439 -14.950 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.421 -16.111 2.481 1.00 0.00 H new ATOM 1064 N THR A 70 -6.647 -15.214 1.758 1.00 0.00 N ATOM 1065 CA THR A 70 -7.907 -14.802 1.149 1.00 0.00 C ATOM 1066 C THR A 70 -9.008 -14.676 2.196 1.00 0.00 C ATOM 1067 O THR A 70 -8.936 -15.283 3.263 1.00 0.00 O ATOM 1068 CB THR A 70 -8.357 -15.798 0.064 1.00 0.00 C ATOM 1069 OG1 THR A 70 -8.553 -17.095 0.639 1.00 0.00 O ATOM 1070 CG2 THR A 70 -7.328 -15.883 -1.053 1.00 0.00 C ATOM 0 H THR A 70 -6.704 -16.075 2.303 1.00 0.00 H new ATOM 0 HA THR A 70 -7.734 -13.829 0.690 1.00 0.00 H new ATOM 0 HB THR A 70 -9.298 -15.442 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.508 -17.238 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.668 -16.593 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.204 -14.901 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.374 -16.217 -0.644 1.00 0.00 H new ATOM 1078 N ALA A 71 -10.027 -13.883 1.881 1.00 0.00 N ATOM 1079 CA ALA A 71 -11.145 -13.678 2.794 1.00 0.00 C ATOM 1080 C ALA A 71 -12.364 -14.484 2.356 1.00 0.00 C ATOM 1081 O ALA A 71 -13.495 -14.000 2.421 1.00 0.00 O ATOM 1082 CB ALA A 71 -11.491 -12.199 2.881 1.00 0.00 C ATOM 0 H ALA A 71 -10.101 -13.372 1.001 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.845 -14.028 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -12.327 -12.061 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.627 -11.644 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.767 -11.831 1.893 1.00 0.00 H new ATOM 1088 N ALA A 72 -12.127 -15.713 1.910 1.00 0.00 N ATOM 1089 CA ALA A 72 -13.206 -16.585 1.462 1.00 0.00 C ATOM 1090 C ALA A 72 -12.771 -18.046 1.471 1.00 0.00 C ATOM 1091 O ALA A 72 -11.578 -18.348 1.506 1.00 0.00 O ATOM 1092 CB ALA A 72 -13.672 -16.178 0.072 1.00 0.00 C ATOM 0 H ALA A 72 -11.197 -16.128 1.849 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.039 -16.478 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.478 -16.838 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.033 -15.150 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.840 -16.254 -0.628 1.00 0.00 H new ATOM 1098 N ASN A 73 -13.745 -18.949 1.439 1.00 0.00 N ATOM 1099 CA ASN A 73 -13.461 -20.380 1.444 1.00 0.00 C ATOM 1100 C ASN A 73 -12.402 -20.728 0.403 1.00 0.00 C ATOM 1101 O ASN A 73 -12.676 -20.735 -0.797 1.00 0.00 O ATOM 1102 CB ASN A 73 -14.740 -21.175 1.173 1.00 0.00 C ATOM 1103 CG ASN A 73 -14.456 -22.536 0.568 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -13.457 -23.178 0.894 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -15.337 -22.985 -0.320 1.00 0.00 N ATOM 0 H ASN A 73 -14.738 -18.716 1.409 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.077 -20.646 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.290 -21.302 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.382 -20.607 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.199 -23.895 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.151 -22.420 -0.561 1.00 0.00 H new ATOM 1112 N SER A 74 -11.192 -21.016 0.871 1.00 0.00 N ATOM 1113 CA SER A 74 -10.090 -21.363 -0.019 1.00 0.00 C ATOM 1114 C SER A 74 -9.343 -22.590 0.492 1.00 0.00 C ATOM 1115 O SER A 74 -9.452 -22.954 1.663 1.00 0.00 O ATOM 1116 CB SER A 74 -9.125 -20.183 -0.154 1.00 0.00 C ATOM 1117 OG SER A 74 -8.021 -20.518 -0.977 1.00 0.00 O ATOM 0 H SER A 74 -10.950 -21.016 1.862 1.00 0.00 H new ATOM 0 HA SER A 74 -10.507 -21.596 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.650 -19.326 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.770 -19.885 0.832 1.00 0.00 H new ATOM 0 HG SER A 74 -7.420 -19.747 -1.049 1.00 0.00 H new ATOM 1123 N ARG A 75 -8.582 -23.224 -0.394 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.817 -24.411 -0.034 1.00 0.00 C ATOM 1125 C ARG A 75 -6.318 -24.132 -0.097 1.00 0.00 C ATOM 1126 O ARG A 75 -5.783 -23.794 -1.153 1.00 0.00 O ATOM 1127 CB ARG A 75 -8.170 -25.573 -0.964 1.00 0.00 C ATOM 1128 CG ARG A 75 -7.678 -26.923 -0.467 1.00 0.00 C ATOM 1129 CD ARG A 75 -6.264 -27.211 -0.943 1.00 0.00 C ATOM 1130 NE ARG A 75 -6.183 -27.297 -2.399 1.00 0.00 N ATOM 1131 CZ ARG A 75 -5.290 -28.039 -3.044 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -4.405 -28.756 -2.365 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -5.281 -28.065 -4.371 1.00 0.00 N ATOM 0 H ARG A 75 -8.479 -22.935 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.076 -24.682 0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.252 -25.613 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.744 -25.381 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.707 -26.943 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.348 -27.707 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.595 -26.426 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.918 -28.147 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.849 -26.757 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.409 -28.738 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.720 -29.325 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.960 -27.515 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.595 -28.635 -4.865 1.00 0.00 H new ATOM 1147 N ASP A 76 -5.647 -24.276 1.041 1.00 0.00 N ATOM 1148 CA ASP A 76 -4.210 -24.041 1.116 1.00 0.00 C ATOM 1149 C ASP A 76 -3.433 -25.308 0.777 1.00 0.00 C ATOM 1150 O ASP A 76 -3.824 -26.411 1.160 1.00 0.00 O ATOM 1151 CB ASP A 76 -3.824 -23.548 2.511 1.00 0.00 C ATOM 1152 CG ASP A 76 -4.326 -24.467 3.608 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -5.559 -24.609 3.745 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -3.486 -25.043 4.331 1.00 0.00 O ATOM 0 H ASP A 76 -6.075 -24.554 1.924 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.954 -23.274 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.739 -23.466 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.229 -22.548 2.665 1.00 0.00 H new ATOM 1159 N THR A 77 -2.328 -25.144 0.055 1.00 0.00 N ATOM 1160 CA THR A 77 -1.498 -26.276 -0.338 1.00 0.00 C ATOM 1161 C THR A 77 -0.078 -26.128 0.199 1.00 0.00 C ATOM 1162 O THR A 77 0.655 -27.109 0.321 1.00 0.00 O ATOM 1163 CB THR A 77 -1.441 -26.425 -1.870 1.00 0.00 C ATOM 1164 OG1 THR A 77 -0.541 -27.481 -2.225 1.00 0.00 O ATOM 1165 CG2 THR A 77 -0.991 -25.128 -2.525 1.00 0.00 C ATOM 0 H THR A 77 -1.988 -24.239 -0.269 1.00 0.00 H new ATOM 0 HA THR A 77 -1.956 -27.168 0.090 1.00 0.00 H new ATOM 0 HB THR A 77 -2.443 -26.664 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.511 -27.571 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.959 -25.259 -3.607 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.693 -24.332 -2.276 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.002 -24.862 -2.162 1.00 0.00 H new ATOM 1173 N SER A 78 0.302 -24.896 0.522 1.00 0.00 N ATOM 1174 CA SER A 78 1.635 -24.620 1.045 1.00 0.00 C ATOM 1175 C SER A 78 1.894 -25.416 2.321 1.00 0.00 C ATOM 1176 O SER A 78 1.135 -25.329 3.284 1.00 0.00 O ATOM 1177 CB SER A 78 1.798 -23.124 1.322 1.00 0.00 C ATOM 1178 OG SER A 78 2.086 -22.413 0.130 1.00 0.00 O ATOM 0 H SER A 78 -0.294 -24.073 0.431 1.00 0.00 H new ATOM 0 HA SER A 78 2.363 -24.925 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.885 -22.733 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.600 -22.970 2.044 1.00 0.00 H new ATOM 0 HG SER A 78 2.184 -21.459 0.333 1.00 0.00 H new ATOM 1184 N GLY A 79 2.975 -26.192 2.318 1.00 0.00 N ATOM 1185 CA GLY A 79 3.316 -26.992 3.480 1.00 0.00 C ATOM 1186 C GLY A 79 4.683 -27.633 3.361 1.00 0.00 C ATOM 1187 O GLY A 79 4.820 -28.787 2.955 1.00 0.00 O ATOM 0 H GLY A 79 3.619 -26.280 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.289 -26.364 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.564 -27.769 3.615 1.00 0.00 H new ATOM 1191 N PRO A 80 5.730 -26.872 3.719 1.00 0.00 N ATOM 1192 CA PRO A 80 7.114 -27.353 3.658 1.00 0.00 C ATOM 1193 C PRO A 80 7.404 -28.420 4.708 1.00 0.00 C ATOM 1194 O PRO A 80 6.538 -28.766 5.511 1.00 0.00 O ATOM 1195 CB PRO A 80 7.939 -26.093 3.934 1.00 0.00 C ATOM 1196 CG PRO A 80 7.030 -25.211 4.719 1.00 0.00 C ATOM 1197 CD PRO A 80 5.642 -25.488 4.212 1.00 0.00 C ATOM 0 HA PRO A 80 7.339 -27.827 2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.845 -26.327 4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.253 -25.614 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.105 -25.424 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.292 -24.162 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.898 -25.389 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.358 -24.796 3.419 1.00 0.00 H new ATOM 1205 N SER A 81 8.628 -28.938 4.695 1.00 0.00 N ATOM 1206 CA SER A 81 9.032 -29.969 5.644 1.00 0.00 C ATOM 1207 C SER A 81 10.552 -30.045 5.751 1.00 0.00 C ATOM 1208 O SER A 81 11.253 -30.114 4.743 1.00 0.00 O ATOM 1209 CB SER A 81 8.470 -31.329 5.221 1.00 0.00 C ATOM 1210 OG SER A 81 7.121 -31.471 5.625 1.00 0.00 O ATOM 0 H SER A 81 9.357 -28.661 4.038 1.00 0.00 H new ATOM 0 HA SER A 81 8.630 -29.705 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.542 -31.435 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.070 -32.126 5.660 1.00 0.00 H new ATOM 0 HG SER A 81 6.695 -30.589 5.658 1.00 0.00 H new ATOM 1216 N SER A 82 11.053 -30.029 6.982 1.00 0.00 N ATOM 1217 CA SER A 82 12.490 -30.091 7.223 1.00 0.00 C ATOM 1218 C SER A 82 12.783 -30.362 8.695 1.00 0.00 C ATOM 1219 O SER A 82 11.959 -30.084 9.565 1.00 0.00 O ATOM 1220 CB SER A 82 13.158 -28.785 6.789 1.00 0.00 C ATOM 1221 OG SER A 82 12.766 -27.710 7.625 1.00 0.00 O ATOM 0 H SER A 82 10.485 -29.974 7.828 1.00 0.00 H new ATOM 0 HA SER A 82 12.897 -30.912 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.242 -28.899 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.892 -28.562 5.756 1.00 0.00 H new ATOM 0 HG SER A 82 13.208 -26.887 7.328 1.00 0.00 H new ATOM 1227 N GLY A 83 13.965 -30.907 8.967 1.00 0.00 N ATOM 1228 CA GLY A 83 14.347 -31.207 10.335 1.00 0.00 C ATOM 1229 C GLY A 83 15.700 -31.884 10.423 1.00 0.00 C ATOM 1230 O GLY A 83 16.280 -32.201 9.386 1.00 0.00 O ATOM 0 H GLY A 83 14.665 -31.146 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.368 -30.284 10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.592 -31.850 10.787 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.694 -9.795 2.345 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.224 3.913 6.660 1.00 0.00 ZN