USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 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 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 29 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -3.11! C(o=-5!,f=-4.1!) USER MOD Set 2.2: A 46 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0814 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.126 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+ -164:sc= -0.0329 (180deg=-0.211) USER MOD Single : A 9 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= -0.0231 (180deg=-0.897) 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 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 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 X(o=0,f=-0.0047) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.537 K(o=-0.54,f=-3.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.75 K(o=-1.8,f=-2.4) USER MOD Single : A 52 ASN : amide:sc= -0.715 K(o=-0.72,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0163) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 49:sc= 0.609 USER MOD Single : A 73 ASN : amide:sc= -0.13 K(o=-0.13,f=-5.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 82 SER OG : rot 31:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.236 -13.821 -20.561 1.00 0.00 N ATOM 2 CA GLY A 1 -24.297 -13.034 -19.784 1.00 0.00 C ATOM 3 C GLY A 1 -22.865 -13.501 -19.956 1.00 0.00 C ATOM 4 O GLY A 1 -22.599 -14.446 -20.699 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.723 -13.206 -21.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.724 -14.568 -21.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.936 -14.254 -19.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.372 -11.988 -20.080 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.569 -13.087 -18.730 1.00 0.00 H new ATOM 8 N SER A 2 -21.941 -12.837 -19.268 1.00 0.00 N ATOM 9 CA SER A 2 -20.529 -13.188 -19.353 1.00 0.00 C ATOM 10 C SER A 2 -19.846 -13.023 -17.998 1.00 0.00 C ATOM 11 O SER A 2 -20.292 -12.243 -17.157 1.00 0.00 O ATOM 12 CB SER A 2 -19.828 -12.318 -20.398 1.00 0.00 C ATOM 13 OG SER A 2 -18.502 -12.763 -20.627 1.00 0.00 O ATOM 0 H SER A 2 -22.145 -12.054 -18.647 1.00 0.00 H new ATOM 0 HA SER A 2 -20.457 -14.234 -19.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.389 -12.343 -21.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.814 -11.281 -20.062 1.00 0.00 H new ATOM 0 HG SER A 2 -18.077 -12.191 -21.300 1.00 0.00 H new ATOM 19 N SER A 3 -18.763 -13.766 -17.795 1.00 0.00 N ATOM 20 CA SER A 3 -18.020 -13.707 -16.540 1.00 0.00 C ATOM 21 C SER A 3 -16.567 -14.121 -16.750 1.00 0.00 C ATOM 22 O SER A 3 -16.282 -15.101 -17.437 1.00 0.00 O ATOM 23 CB SER A 3 -18.674 -14.610 -15.493 1.00 0.00 C ATOM 24 OG SER A 3 -20.018 -14.229 -15.259 1.00 0.00 O ATOM 0 H SER A 3 -18.380 -14.415 -18.482 1.00 0.00 H new ATOM 0 HA SER A 3 -18.038 -12.677 -16.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.640 -15.646 -15.830 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.111 -14.559 -14.561 1.00 0.00 H new ATOM 0 HG SER A 3 -20.414 -14.823 -14.587 1.00 0.00 H new ATOM 30 N GLY A 4 -15.651 -13.367 -16.152 1.00 0.00 N ATOM 31 CA GLY A 4 -14.238 -13.669 -16.284 1.00 0.00 C ATOM 32 C GLY A 4 -13.360 -12.452 -16.070 1.00 0.00 C ATOM 33 O GLY A 4 -13.819 -11.318 -16.202 1.00 0.00 O ATOM 0 H GLY A 4 -15.862 -12.551 -15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.966 -14.440 -15.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.049 -14.079 -17.276 1.00 0.00 H new ATOM 37 N SER A 5 -12.096 -12.687 -15.735 1.00 0.00 N ATOM 38 CA SER A 5 -11.154 -11.600 -15.496 1.00 0.00 C ATOM 39 C SER A 5 -9.739 -12.010 -15.896 1.00 0.00 C ATOM 40 O SER A 5 -9.335 -13.156 -15.702 1.00 0.00 O ATOM 41 CB SER A 5 -11.181 -11.188 -14.023 1.00 0.00 C ATOM 42 OG SER A 5 -10.260 -10.142 -13.769 1.00 0.00 O ATOM 0 H SER A 5 -11.700 -13.620 -15.623 1.00 0.00 H new ATOM 0 HA SER A 5 -11.454 -10.750 -16.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.186 -10.866 -13.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.941 -12.048 -13.397 1.00 0.00 H new ATOM 0 HG SER A 5 -10.298 -9.896 -12.821 1.00 0.00 H new ATOM 48 N SER A 6 -8.991 -11.063 -16.454 1.00 0.00 N ATOM 49 CA SER A 6 -7.623 -11.325 -16.884 1.00 0.00 C ATOM 50 C SER A 6 -6.643 -11.119 -15.734 1.00 0.00 C ATOM 51 O SER A 6 -6.687 -10.105 -15.039 1.00 0.00 O ATOM 52 CB SER A 6 -7.251 -10.413 -18.055 1.00 0.00 C ATOM 53 OG SER A 6 -7.633 -10.991 -19.292 1.00 0.00 O ATOM 0 H SER A 6 -9.310 -10.108 -16.619 1.00 0.00 H new ATOM 0 HA SER A 6 -7.563 -12.364 -17.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.739 -9.445 -17.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.176 -10.231 -18.051 1.00 0.00 H new ATOM 0 HG SER A 6 -7.386 -10.389 -20.025 1.00 0.00 H new ATOM 59 N GLY A 7 -5.756 -12.090 -15.539 1.00 0.00 N ATOM 60 CA GLY A 7 -4.777 -11.999 -14.473 1.00 0.00 C ATOM 61 C GLY A 7 -3.546 -11.213 -14.882 1.00 0.00 C ATOM 62 O GLY A 7 -2.532 -11.793 -15.272 1.00 0.00 O ATOM 0 H GLY A 7 -5.698 -12.939 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.234 -11.526 -13.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.479 -13.003 -14.170 1.00 0.00 H new ATOM 66 N LYS A 8 -3.633 -9.890 -14.794 1.00 0.00 N ATOM 67 CA LYS A 8 -2.519 -9.024 -15.159 1.00 0.00 C ATOM 68 C LYS A 8 -1.312 -9.284 -14.264 1.00 0.00 C ATOM 69 O LYS A 8 -1.458 -9.526 -13.065 1.00 0.00 O ATOM 70 CB LYS A 8 -2.935 -7.554 -15.057 1.00 0.00 C ATOM 71 CG LYS A 8 -3.878 -7.112 -16.162 1.00 0.00 C ATOM 72 CD LYS A 8 -3.127 -6.804 -17.447 1.00 0.00 C ATOM 73 CE LYS A 8 -4.081 -6.474 -18.585 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.917 -7.647 -18.963 1.00 0.00 N ATOM 0 H LYS A 8 -4.464 -9.394 -14.473 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.240 -9.247 -16.189 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.415 -7.387 -14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.042 -6.930 -15.081 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.614 -7.894 -16.348 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.428 -6.228 -15.840 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.451 -5.965 -17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.511 -7.660 -17.724 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.727 -5.647 -18.290 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.511 -6.139 -19.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.349 -7.480 -19.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.321 -8.498 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.665 -7.783 -18.253 1.00 0.00 H new ATOM 88 N GLN A 9 -0.121 -9.231 -14.851 1.00 0.00 N ATOM 89 CA GLN A 9 1.110 -9.459 -14.106 1.00 0.00 C ATOM 90 C GLN A 9 1.793 -8.140 -13.764 1.00 0.00 C ATOM 91 O GLN A 9 2.191 -7.386 -14.652 1.00 0.00 O ATOM 92 CB GLN A 9 2.062 -10.346 -14.911 1.00 0.00 C ATOM 93 CG GLN A 9 1.557 -11.768 -15.098 1.00 0.00 C ATOM 94 CD GLN A 9 1.503 -12.543 -13.796 1.00 0.00 C ATOM 95 OE1 GLN A 9 0.445 -12.671 -13.181 1.00 0.00 O ATOM 96 NE2 GLN A 9 2.647 -13.067 -13.370 1.00 0.00 N ATOM 0 H GLN A 9 0.017 -9.032 -15.842 1.00 0.00 H new ATOM 0 HA GLN A 9 0.852 -9.965 -13.176 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.225 -9.895 -15.890 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.029 -10.376 -14.409 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.562 -11.741 -15.542 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.206 -12.291 -15.801 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.501 -12.936 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.671 -13.600 -12.501 1.00 0.00 H new ATOM 105 N ALA A 10 1.925 -7.865 -12.470 1.00 0.00 N ATOM 106 CA ALA A 10 2.561 -6.637 -12.011 1.00 0.00 C ATOM 107 C ALA A 10 3.490 -6.908 -10.832 1.00 0.00 C ATOM 108 O ALA A 10 3.152 -7.662 -9.921 1.00 0.00 O ATOM 109 CB ALA A 10 1.508 -5.608 -11.629 1.00 0.00 C ATOM 0 H ALA A 10 1.600 -8.477 -11.721 1.00 0.00 H new ATOM 0 HA ALA A 10 3.161 -6.240 -12.830 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.998 -4.696 -11.288 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.887 -5.384 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.884 -6.006 -10.829 1.00 0.00 H new ATOM 115 N LYS A 11 4.666 -6.287 -10.856 1.00 0.00 N ATOM 116 CA LYS A 11 5.645 -6.461 -9.790 1.00 0.00 C ATOM 117 C LYS A 11 4.956 -6.624 -8.439 1.00 0.00 C ATOM 118 O LYS A 11 4.210 -5.746 -8.002 1.00 0.00 O ATOM 119 CB LYS A 11 6.598 -5.264 -9.746 1.00 0.00 C ATOM 120 CG LYS A 11 7.467 -5.224 -8.501 1.00 0.00 C ATOM 121 CD LYS A 11 8.332 -3.974 -8.464 1.00 0.00 C ATOM 122 CE LYS A 11 7.616 -2.822 -7.774 1.00 0.00 C ATOM 123 NZ LYS A 11 6.805 -2.020 -8.731 1.00 0.00 N ATOM 0 H LYS A 11 4.963 -5.659 -11.603 1.00 0.00 H new ATOM 0 HA LYS A 11 6.215 -7.366 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.240 -5.289 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.016 -4.344 -9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.835 -5.256 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.103 -6.109 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.264 -4.190 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.597 -3.683 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.969 -3.214 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.349 -2.177 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.050 -1.014 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.003 -2.334 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.794 -2.151 -8.524 1.00 0.00 H new ATOM 137 N ILE A 12 5.210 -7.751 -7.783 1.00 0.00 N ATOM 138 CA ILE A 12 4.615 -8.028 -6.481 1.00 0.00 C ATOM 139 C ILE A 12 5.680 -8.081 -5.391 1.00 0.00 C ATOM 140 O ILE A 12 6.766 -8.623 -5.595 1.00 0.00 O ATOM 141 CB ILE A 12 3.837 -9.356 -6.488 1.00 0.00 C ATOM 142 CG1 ILE A 12 3.021 -9.487 -7.776 1.00 0.00 C ATOM 143 CG2 ILE A 12 2.931 -9.446 -5.269 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.227 -10.772 -7.860 1.00 0.00 C ATOM 0 H ILE A 12 5.824 -8.487 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 12 3.923 -7.213 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 12 4.551 -10.179 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.337 -8.641 -7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.695 -9.429 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.388 -10.391 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.534 -9.393 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.221 -8.619 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.673 -10.797 -8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.907 -11.623 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.528 -10.823 -7.025 1.00 0.00 H new ATOM 156 N HIS A 13 5.361 -7.515 -4.231 1.00 0.00 N ATOM 157 CA HIS A 13 6.289 -7.500 -3.106 1.00 0.00 C ATOM 158 C HIS A 13 5.989 -8.642 -2.139 1.00 0.00 C ATOM 159 O HIS A 13 5.034 -8.579 -1.365 1.00 0.00 O ATOM 160 CB HIS A 13 6.212 -6.162 -2.372 1.00 0.00 C ATOM 161 CG HIS A 13 6.217 -4.976 -3.287 1.00 0.00 C ATOM 162 ND1 HIS A 13 5.522 -4.730 -4.421 1.00 0.00 N flip ATOM 163 CD2 HIS A 13 7.010 -3.868 -3.077 1.00 0.00 C flip ATOM 164 CE1 HIS A 13 5.902 -3.490 -4.871 1.00 0.00 C flip ATOM 165 NE2 HIS A 13 6.800 -2.990 -4.042 1.00 0.00 N flip ATOM 0 H HIS A 13 4.467 -7.061 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 13 7.298 -7.634 -3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.305 -6.140 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.055 -6.084 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.696 -3.738 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.527 -3.003 -5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.254 -2.081 -4.131 1.00 0.00 H new ATOM 173 N TYR A 14 6.810 -9.685 -2.190 1.00 0.00 N ATOM 174 CA TYR A 14 6.631 -10.842 -1.322 1.00 0.00 C ATOM 175 C TYR A 14 7.119 -10.543 0.092 1.00 0.00 C ATOM 176 O TYR A 14 7.872 -11.322 0.679 1.00 0.00 O ATOM 177 CB TYR A 14 7.380 -12.051 -1.886 1.00 0.00 C ATOM 178 CG TYR A 14 6.965 -12.416 -3.294 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.625 -12.564 -3.629 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.915 -12.614 -4.289 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.243 -12.898 -4.913 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.542 -12.947 -5.577 1.00 0.00 C ATOM 183 CZ TYR A 14 6.204 -13.089 -5.884 1.00 0.00 C ATOM 184 OH TYR A 14 5.827 -13.421 -7.165 1.00 0.00 O ATOM 0 H TYR A 14 7.606 -9.753 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 14 5.566 -11.070 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.450 -11.843 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.214 -12.908 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.869 -12.415 -2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.963 -12.506 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.197 -13.009 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.293 -13.095 -6.339 1.00 0.00 H new ATOM 0 HH TYR A 14 6.625 -13.518 -7.726 1.00 0.00 H new ATOM 194 N ILE A 15 6.685 -9.409 0.633 1.00 0.00 N ATOM 195 CA ILE A 15 7.075 -9.007 1.979 1.00 0.00 C ATOM 196 C ILE A 15 6.164 -9.636 3.027 1.00 0.00 C ATOM 197 O ILE A 15 4.957 -9.763 2.821 1.00 0.00 O ATOM 198 CB ILE A 15 7.044 -7.475 2.140 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.383 -6.868 1.716 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.717 -7.101 3.577 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.419 -6.437 0.266 1.00 0.00 C ATOM 0 H ILE A 15 6.064 -8.753 0.160 1.00 0.00 H new ATOM 0 HA ILE A 15 8.095 -9.360 2.130 1.00 0.00 H new ATOM 0 HB ILE A 15 6.264 -7.072 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.599 -6.007 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.174 -7.597 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.699 -6.016 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.741 -7.506 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.476 -7.513 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.398 -6.016 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.235 -7.299 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.650 -5.684 0.091 1.00 0.00 H new ATOM 213 N LYS A 16 6.749 -10.028 4.153 1.00 0.00 N ATOM 214 CA LYS A 16 5.992 -10.642 5.237 1.00 0.00 C ATOM 215 C LYS A 16 4.998 -11.665 4.695 1.00 0.00 C ATOM 216 O LYS A 16 3.933 -11.876 5.274 1.00 0.00 O ATOM 217 CB LYS A 16 5.249 -9.569 6.038 1.00 0.00 C ATOM 218 CG LYS A 16 6.170 -8.565 6.708 1.00 0.00 C ATOM 219 CD LYS A 16 6.729 -9.104 8.014 1.00 0.00 C ATOM 220 CE LYS A 16 8.048 -8.438 8.374 1.00 0.00 C ATOM 221 NZ LYS A 16 8.931 -9.343 9.160 1.00 0.00 N ATOM 0 H LYS A 16 7.747 -9.931 4.339 1.00 0.00 H new ATOM 0 HA LYS A 16 6.695 -11.156 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.568 -9.038 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.638 -10.054 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.991 -8.318 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.625 -7.641 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.008 -8.941 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.875 -10.181 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.561 -8.132 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.853 -7.533 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.819 -8.852 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.452 -9.615 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.139 -10.196 8.602 1.00 0.00 H new ATOM 235 N ASN A 17 5.355 -12.297 3.582 1.00 0.00 N ATOM 236 CA ASN A 17 4.495 -13.298 2.962 1.00 0.00 C ATOM 237 C ASN A 17 3.206 -12.665 2.445 1.00 0.00 C ATOM 238 O ASN A 17 2.129 -13.251 2.548 1.00 0.00 O ATOM 239 CB ASN A 17 4.165 -14.406 3.964 1.00 0.00 C ATOM 240 CG ASN A 17 5.111 -15.587 3.852 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.326 -15.416 3.764 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.555 -16.793 3.856 1.00 0.00 N ATOM 0 H ASN A 17 6.234 -12.134 3.091 1.00 0.00 H new ATOM 0 HA ASN A 17 5.032 -13.728 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.210 -14.003 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.142 -14.746 3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.141 -17.625 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.542 -16.887 3.931 1.00 0.00 H new ATOM 249 N HIS A 18 3.326 -11.463 1.888 1.00 0.00 N ATOM 250 CA HIS A 18 2.172 -10.750 1.355 1.00 0.00 C ATOM 251 C HIS A 18 2.275 -10.607 -0.162 1.00 0.00 C ATOM 252 O HIS A 18 3.208 -11.119 -0.779 1.00 0.00 O ATOM 253 CB HIS A 18 2.054 -9.370 2.002 1.00 0.00 C ATOM 254 CG HIS A 18 1.298 -9.377 3.294 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.067 -9.196 3.369 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.724 -9.548 4.567 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.447 -9.252 4.633 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.620 -9.465 5.381 1.00 0.00 N ATOM 0 H HIS A 18 4.211 -10.964 1.795 1.00 0.00 H new ATOM 0 HA HIS A 18 1.279 -11.329 1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.054 -8.974 2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.560 -8.692 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.742 -9.718 4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.459 -9.142 4.993 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.624 -9.553 6.397 1.00 0.00 H new ATOM 266 N GLU A 19 1.310 -9.910 -0.753 1.00 0.00 N ATOM 267 CA GLU A 19 1.293 -9.702 -2.196 1.00 0.00 C ATOM 268 C GLU A 19 1.056 -8.232 -2.531 1.00 0.00 C ATOM 269 O GLU A 19 0.407 -7.907 -3.525 1.00 0.00 O ATOM 270 CB GLU A 19 0.210 -10.566 -2.845 1.00 0.00 C ATOM 271 CG GLU A 19 0.602 -12.027 -2.990 1.00 0.00 C ATOM 272 CD GLU A 19 -0.068 -12.695 -4.174 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.470 -11.978 -5.113 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.191 -13.938 -4.161 1.00 0.00 O ATOM 0 H GLU A 19 0.530 -9.480 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 19 2.266 -9.994 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.701 -10.500 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.024 -10.162 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.684 -12.100 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.338 -12.562 -2.078 1.00 0.00 H new ATOM 281 N PHE A 20 1.586 -7.347 -1.693 1.00 0.00 N ATOM 282 CA PHE A 20 1.431 -5.912 -1.899 1.00 0.00 C ATOM 283 C PHE A 20 1.773 -5.529 -3.335 1.00 0.00 C ATOM 284 O PHE A 20 2.939 -5.536 -3.730 1.00 0.00 O ATOM 285 CB PHE A 20 2.322 -5.137 -0.926 1.00 0.00 C ATOM 286 CG PHE A 20 1.996 -5.390 0.518 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.728 -5.128 1.012 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.956 -5.891 1.382 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.426 -5.359 2.341 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.659 -6.125 2.712 1.00 0.00 C ATOM 291 CZ PHE A 20 1.391 -5.859 3.191 1.00 0.00 C ATOM 0 H PHE A 20 2.126 -7.598 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 20 0.389 -5.653 -1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.363 -5.405 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.227 -4.070 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.033 -4.739 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.949 -6.101 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.565 -5.148 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.417 -6.515 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.155 -6.042 4.229 1.00 0.00 H new ATOM 301 N ILE A 21 0.747 -5.194 -4.111 1.00 0.00 N ATOM 302 CA ILE A 21 0.939 -4.807 -5.504 1.00 0.00 C ATOM 303 C ILE A 21 0.644 -3.325 -5.708 1.00 0.00 C ATOM 304 O ILE A 21 -0.424 -2.837 -5.339 1.00 0.00 O ATOM 305 CB ILE A 21 0.042 -5.632 -6.446 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.605 -7.045 -6.614 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.083 -4.942 -7.796 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.242 -7.931 -7.500 1.00 0.00 C ATOM 0 H ILE A 21 -0.224 -5.183 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 21 1.984 -5.004 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.952 -5.707 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.609 -6.980 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.698 -7.509 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.720 -5.537 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.524 -3.954 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.905 -4.840 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.217 -8.917 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.240 -8.027 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.315 -7.489 -8.494 1.00 0.00 H new ATOM 320 N ALA A 22 1.597 -2.613 -6.301 1.00 0.00 N ATOM 321 CA ALA A 22 1.438 -1.187 -6.558 1.00 0.00 C ATOM 322 C ALA A 22 0.080 -0.891 -7.185 1.00 0.00 C ATOM 323 O ALA A 22 -0.285 -1.473 -8.207 1.00 0.00 O ATOM 324 CB ALA A 22 2.558 -0.685 -7.458 1.00 0.00 C ATOM 0 H ALA A 22 2.488 -3.001 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 22 1.491 -0.662 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.427 0.381 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.519 -0.854 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.532 -1.222 -8.406 1.00 0.00 H new ATOM 330 N THR A 23 -0.666 0.019 -6.567 1.00 0.00 N ATOM 331 CA THR A 23 -1.985 0.391 -7.063 1.00 0.00 C ATOM 332 C THR A 23 -2.277 1.863 -6.798 1.00 0.00 C ATOM 333 O THR A 23 -1.828 2.425 -5.799 1.00 0.00 O ATOM 334 CB THR A 23 -3.091 -0.465 -6.417 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.326 -0.279 -7.116 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.272 -0.097 -4.952 1.00 0.00 C ATOM 0 H THR A 23 -0.379 0.512 -5.722 1.00 0.00 H new ATOM 0 HA THR A 23 -1.980 0.212 -8.138 1.00 0.00 H new ATOM 0 HB THR A 23 -2.793 -1.512 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.023 -0.828 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.058 -0.714 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.338 -0.267 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.550 0.954 -4.872 1.00 0.00 H new ATOM 344 N PHE A 24 -3.034 2.484 -7.697 1.00 0.00 N ATOM 345 CA PHE A 24 -3.385 3.893 -7.559 1.00 0.00 C ATOM 346 C PHE A 24 -4.697 4.053 -6.796 1.00 0.00 C ATOM 347 O PHE A 24 -5.755 3.628 -7.261 1.00 0.00 O ATOM 348 CB PHE A 24 -3.500 4.548 -8.938 1.00 0.00 C ATOM 349 CG PHE A 24 -3.532 6.049 -8.886 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.356 6.780 -8.897 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.738 6.728 -8.827 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.381 8.162 -8.850 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.770 8.109 -8.781 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.590 8.827 -8.792 1.00 0.00 C ATOM 0 H PHE A 24 -3.416 2.034 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.594 4.387 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.658 4.231 -9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.405 4.190 -9.428 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.408 6.265 -8.943 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.664 6.172 -8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.457 8.720 -8.859 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.717 8.626 -8.736 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.613 9.906 -8.755 1.00 0.00 H new ATOM 364 N PHE A 25 -4.619 4.669 -5.621 1.00 0.00 N ATOM 365 CA PHE A 25 -5.798 4.885 -4.791 1.00 0.00 C ATOM 366 C PHE A 25 -6.397 6.264 -5.048 1.00 0.00 C ATOM 367 O PHE A 25 -6.086 7.228 -4.351 1.00 0.00 O ATOM 368 CB PHE A 25 -5.439 4.740 -3.310 1.00 0.00 C ATOM 369 CG PHE A 25 -4.658 3.495 -3.003 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.302 3.426 -3.280 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.278 2.394 -2.436 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.580 2.281 -2.997 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.562 1.247 -2.150 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.211 1.190 -2.432 1.00 0.00 C ATOM 0 H PHE A 25 -3.751 5.027 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.540 4.131 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.860 5.609 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.356 4.739 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.803 4.276 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.334 2.432 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.524 2.240 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.058 0.396 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.649 0.294 -2.211 1.00 0.00 H new ATOM 384 N GLY A 26 -7.261 6.350 -6.055 1.00 0.00 N ATOM 385 CA GLY A 26 -7.892 7.614 -6.388 1.00 0.00 C ATOM 386 C GLY A 26 -8.717 8.169 -5.243 1.00 0.00 C ATOM 387 O GLY A 26 -9.197 9.300 -5.309 1.00 0.00 O ATOM 0 H GLY A 26 -7.535 5.566 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.125 8.338 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.531 7.479 -7.260 1.00 0.00 H new ATOM 391 N GLN A 27 -8.883 7.370 -4.194 1.00 0.00 N ATOM 392 CA GLN A 27 -9.658 7.788 -3.032 1.00 0.00 C ATOM 393 C GLN A 27 -8.852 7.617 -1.750 1.00 0.00 C ATOM 394 O GLN A 27 -7.950 6.785 -1.661 1.00 0.00 O ATOM 395 CB GLN A 27 -10.957 6.984 -2.943 1.00 0.00 C ATOM 396 CG GLN A 27 -10.739 5.480 -2.890 1.00 0.00 C ATOM 397 CD GLN A 27 -11.893 4.746 -2.238 1.00 0.00 C ATOM 398 OE1 GLN A 27 -13.055 4.951 -2.591 1.00 0.00 O ATOM 399 NE2 GLN A 27 -11.580 3.883 -1.278 1.00 0.00 N ATOM 0 H GLN A 27 -8.492 6.431 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.900 8.844 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.507 7.295 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.582 7.222 -3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.598 5.101 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.822 5.269 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.604 3.743 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.316 3.360 -0.803 1.00 0.00 H new ATOM 408 N PRO A 28 -9.181 8.425 -0.731 1.00 0.00 N ATOM 409 CA PRO A 28 -8.500 8.382 0.566 1.00 0.00 C ATOM 410 C PRO A 28 -8.814 7.110 1.345 1.00 0.00 C ATOM 411 O PRO A 28 -9.667 7.107 2.232 1.00 0.00 O ATOM 412 CB PRO A 28 -9.053 9.608 1.299 1.00 0.00 C ATOM 413 CG PRO A 28 -10.382 9.854 0.673 1.00 0.00 C ATOM 414 CD PRO A 28 -10.246 9.442 -0.766 1.00 0.00 C ATOM 0 HA PRO A 28 -7.416 8.387 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.147 9.421 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.395 10.469 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.161 9.277 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.662 10.904 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.178 9.034 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.976 10.285 -1.402 1.00 0.00 H new ATOM 422 N THR A 29 -8.118 6.028 1.008 1.00 0.00 N ATOM 423 CA THR A 29 -8.324 4.748 1.674 1.00 0.00 C ATOM 424 C THR A 29 -7.652 4.727 3.042 1.00 0.00 C ATOM 425 O THR A 29 -6.595 5.331 3.236 1.00 0.00 O ATOM 426 CB THR A 29 -7.781 3.581 0.829 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.040 3.819 -0.559 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.419 2.266 1.251 1.00 0.00 C ATOM 0 H THR A 29 -7.406 6.013 0.277 1.00 0.00 H new ATOM 0 HA THR A 29 -9.400 4.625 1.799 1.00 0.00 H new ATOM 0 HB THR A 29 -6.705 3.514 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.992 2.973 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.020 1.456 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.196 2.073 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.499 2.325 1.115 1.00 0.00 H new ATOM 436 N PHE A 30 -8.268 4.029 3.989 1.00 0.00 N ATOM 437 CA PHE A 30 -7.728 3.928 5.341 1.00 0.00 C ATOM 438 C PHE A 30 -6.549 2.961 5.385 1.00 0.00 C ATOM 439 O PHE A 30 -6.576 1.902 4.756 1.00 0.00 O ATOM 440 CB PHE A 30 -8.815 3.470 6.314 1.00 0.00 C ATOM 441 CG PHE A 30 -8.396 3.535 7.755 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.165 4.757 8.368 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.233 2.377 8.496 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.777 4.819 9.693 1.00 0.00 C ATOM 445 CE2 PHE A 30 -7.847 2.433 9.822 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.620 3.656 10.422 1.00 0.00 C ATOM 0 H PHE A 30 -9.143 3.524 3.846 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.376 4.915 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.701 4.089 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.100 2.446 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.290 5.670 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.410 1.418 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.597 5.777 10.159 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.723 1.522 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.320 3.703 11.459 1.00 0.00 H new ATOM 456 N CYS A 31 -5.514 3.333 6.131 1.00 0.00 N ATOM 457 CA CYS A 31 -4.324 2.500 6.257 1.00 0.00 C ATOM 458 C CYS A 31 -4.442 1.563 7.456 1.00 0.00 C ATOM 459 O CYS A 31 -5.285 1.759 8.331 1.00 0.00 O ATOM 460 CB CYS A 31 -3.077 3.375 6.401 1.00 0.00 C ATOM 461 SG CYS A 31 -1.508 2.452 6.319 1.00 0.00 S ATOM 0 H CYS A 31 -5.475 4.206 6.657 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.235 1.897 5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.083 4.130 5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.126 3.904 7.353 1.00 0.00 H new ATOM 466 N SER A 32 -3.589 0.543 7.489 1.00 0.00 N ATOM 467 CA SER A 32 -3.599 -0.428 8.577 1.00 0.00 C ATOM 468 C SER A 32 -2.397 -0.226 9.495 1.00 0.00 C ATOM 469 O SER A 32 -2.505 -0.357 10.714 1.00 0.00 O ATOM 470 CB SER A 32 -3.596 -1.851 8.018 1.00 0.00 C ATOM 471 OG SER A 32 -3.530 -2.808 9.062 1.00 0.00 O ATOM 0 H SER A 32 -2.882 0.368 6.774 1.00 0.00 H new ATOM 0 HA SER A 32 -4.508 -0.277 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.497 -2.015 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.746 -1.980 7.347 1.00 0.00 H new ATOM 0 HG SER A 32 -3.531 -3.710 8.679 1.00 0.00 H new ATOM 477 N VAL A 33 -1.253 0.093 8.900 1.00 0.00 N ATOM 478 CA VAL A 33 -0.030 0.313 9.663 1.00 0.00 C ATOM 479 C VAL A 33 -0.099 1.620 10.446 1.00 0.00 C ATOM 480 O VAL A 33 -0.169 1.617 11.675 1.00 0.00 O ATOM 481 CB VAL A 33 1.206 0.343 8.745 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.417 0.878 9.497 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.487 -1.043 8.184 1.00 0.00 C ATOM 0 H VAL A 33 -1.147 0.205 7.892 1.00 0.00 H new ATOM 0 HA VAL A 33 0.063 -0.521 10.359 1.00 0.00 H new ATOM 0 HB VAL A 33 1.001 1.013 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.281 0.892 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.211 1.890 9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.627 0.236 10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.364 -1.003 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.672 -1.737 9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.627 -1.384 7.608 1.00 0.00 H new ATOM 493 N CYS A 34 -0.081 2.737 9.726 1.00 0.00 N ATOM 494 CA CYS A 34 -0.141 4.052 10.352 1.00 0.00 C ATOM 495 C CYS A 34 -1.585 4.446 10.650 1.00 0.00 C ATOM 496 O CYS A 34 -1.846 5.293 11.505 1.00 0.00 O ATOM 497 CB CYS A 34 0.509 5.101 9.448 1.00 0.00 C ATOM 498 SG CYS A 34 -0.465 5.509 7.963 1.00 0.00 S ATOM 0 H CYS A 34 -0.025 2.757 8.708 1.00 0.00 H new ATOM 0 HA CYS A 34 0.407 4.004 11.293 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.671 6.012 10.025 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.490 4.741 9.138 1.00 0.00 H new ATOM 503 N LYS A 35 -2.520 3.826 9.939 1.00 0.00 N ATOM 504 CA LYS A 35 -3.939 4.110 10.127 1.00 0.00 C ATOM 505 C LYS A 35 -4.251 5.565 9.794 1.00 0.00 C ATOM 506 O LYS A 35 -5.075 6.199 10.452 1.00 0.00 O ATOM 507 CB LYS A 35 -4.355 3.804 11.568 1.00 0.00 C ATOM 508 CG LYS A 35 -4.369 2.321 11.895 1.00 0.00 C ATOM 509 CD LYS A 35 -4.434 2.082 13.394 1.00 0.00 C ATOM 510 CE LYS A 35 -5.105 0.756 13.718 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.589 0.847 13.624 1.00 0.00 N ATOM 0 H LYS A 35 -2.322 3.123 9.227 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.505 3.471 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.673 4.311 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.348 4.216 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.225 1.849 11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.474 1.849 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.426 2.092 13.809 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.983 2.895 13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.744 -0.011 13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.823 0.443 14.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.009 -0.077 13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.936 1.560 14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.859 1.121 12.658 1.00 0.00 H new ATOM 525 N ASP A 36 -3.589 6.087 8.768 1.00 0.00 N ATOM 526 CA ASP A 36 -3.798 7.468 8.346 1.00 0.00 C ATOM 527 C ASP A 36 -4.281 7.526 6.900 1.00 0.00 C ATOM 528 O ASP A 36 -3.844 6.743 6.057 1.00 0.00 O ATOM 529 CB ASP A 36 -2.506 8.272 8.498 1.00 0.00 C ATOM 530 CG ASP A 36 -2.764 9.757 8.661 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.523 10.129 9.581 1.00 0.00 O ATOM 532 OD2 ASP A 36 -2.208 10.546 7.869 1.00 0.00 O ATOM 0 H ASP A 36 -2.903 5.575 8.213 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.565 7.905 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.953 7.905 9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.875 8.110 7.624 1.00 0.00 H new ATOM 537 N PHE A 37 -5.186 8.459 6.621 1.00 0.00 N ATOM 538 CA PHE A 37 -5.730 8.619 5.278 1.00 0.00 C ATOM 539 C PHE A 37 -4.649 8.397 4.224 1.00 0.00 C ATOM 540 O PHE A 37 -3.644 9.106 4.189 1.00 0.00 O ATOM 541 CB PHE A 37 -6.339 10.013 5.114 1.00 0.00 C ATOM 542 CG PHE A 37 -6.893 10.579 6.390 1.00 0.00 C ATOM 543 CD1 PHE A 37 -6.071 11.258 7.276 1.00 0.00 C ATOM 544 CD2 PHE A 37 -8.234 10.433 6.703 1.00 0.00 C ATOM 545 CE1 PHE A 37 -6.578 11.778 8.451 1.00 0.00 C ATOM 546 CE2 PHE A 37 -8.747 10.953 7.878 1.00 0.00 C ATOM 547 CZ PHE A 37 -7.918 11.627 8.752 1.00 0.00 C ATOM 0 H PHE A 37 -5.558 9.115 7.307 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.510 7.871 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.578 10.690 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.135 9.968 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.023 11.382 7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.887 9.907 6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.927 12.303 9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.795 10.832 8.111 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.316 12.035 9.669 1.00 0.00 H new ATOM 557 N VAL A 38 -4.864 7.405 3.365 1.00 0.00 N ATOM 558 CA VAL A 38 -3.910 7.088 2.309 1.00 0.00 C ATOM 559 C VAL A 38 -4.221 7.867 1.035 1.00 0.00 C ATOM 560 O VAL A 38 -4.525 7.281 -0.004 1.00 0.00 O ATOM 561 CB VAL A 38 -3.907 5.582 1.989 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.742 5.232 1.075 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.854 4.765 3.271 1.00 0.00 C ATOM 0 H VAL A 38 -5.690 6.807 3.380 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.925 7.376 2.676 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.832 5.337 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.756 4.164 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.830 5.791 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.804 5.491 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.853 3.703 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.946 5.011 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.725 4.994 3.885 1.00 0.00 H new ATOM 573 N TRP A 39 -4.143 9.189 1.124 1.00 0.00 N ATOM 574 CA TRP A 39 -4.416 10.049 -0.023 1.00 0.00 C ATOM 575 C TRP A 39 -3.229 10.961 -0.314 1.00 0.00 C ATOM 576 O TRP A 39 -2.999 11.350 -1.459 1.00 0.00 O ATOM 577 CB TRP A 39 -5.669 10.888 0.231 1.00 0.00 C ATOM 578 CG TRP A 39 -5.379 12.212 0.872 1.00 0.00 C ATOM 579 CD1 TRP A 39 -4.657 12.430 2.010 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.805 13.499 0.411 1.00 0.00 C ATOM 581 NE1 TRP A 39 -4.608 13.775 2.286 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.304 14.452 1.319 1.00 0.00 C ATOM 583 CE3 TRP A 39 -6.558 13.939 -0.681 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.535 15.817 1.168 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -6.787 15.294 -0.828 1.00 0.00 C ATOM 586 CH2 TRP A 39 -6.277 16.219 0.090 1.00 0.00 C ATOM 0 H TRP A 39 -3.893 9.689 1.977 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.583 9.413 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.183 11.056 -0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.351 10.325 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.192 11.658 2.606 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -4.131 14.200 3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.954 13.233 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.143 16.533 1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -7.370 15.645 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.473 17.271 -0.055 1.00 0.00 H new ATOM 597 N GLY A 40 -2.477 11.297 0.729 1.00 0.00 N ATOM 598 CA GLY A 40 -1.322 12.161 0.563 1.00 0.00 C ATOM 599 C GLY A 40 -0.071 11.391 0.190 1.00 0.00 C ATOM 600 O GLY A 40 0.900 11.364 0.947 1.00 0.00 O ATOM 0 H GLY A 40 -2.646 10.987 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.533 12.901 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.145 12.708 1.489 1.00 0.00 H new ATOM 604 N LEU A 41 -0.093 10.759 -0.980 1.00 0.00 N ATOM 605 CA LEU A 41 1.049 9.983 -1.451 1.00 0.00 C ATOM 606 C LEU A 41 1.552 10.512 -2.790 1.00 0.00 C ATOM 607 O LEU A 41 0.797 10.593 -3.759 1.00 0.00 O ATOM 608 CB LEU A 41 0.667 8.508 -1.584 1.00 0.00 C ATOM 609 CG LEU A 41 1.791 7.499 -1.344 1.00 0.00 C ATOM 610 CD1 LEU A 41 2.876 7.649 -2.400 1.00 0.00 C ATOM 611 CD2 LEU A 41 2.374 7.672 0.051 1.00 0.00 C ATOM 0 H LEU A 41 -0.888 10.769 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 41 1.850 10.081 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.139 8.297 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.268 8.346 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 41 1.375 6.494 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.668 6.923 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.449 7.475 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.290 8.657 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.172 6.946 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.775 8.680 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.592 7.514 0.794 1.00 0.00 H new ATOM 623 N ASN A 42 2.831 10.870 -2.837 1.00 0.00 N ATOM 624 CA ASN A 42 3.435 11.389 -4.059 1.00 0.00 C ATOM 625 C ASN A 42 2.826 10.727 -5.291 1.00 0.00 C ATOM 626 O ASN A 42 2.088 11.358 -6.048 1.00 0.00 O ATOM 627 CB ASN A 42 4.948 11.163 -4.040 1.00 0.00 C ATOM 628 CG ASN A 42 5.689 12.139 -4.932 1.00 0.00 C ATOM 629 OD1 ASN A 42 5.656 12.027 -6.157 1.00 0.00 O ATOM 630 ND2 ASN A 42 6.365 13.104 -4.319 1.00 0.00 N ATOM 0 H ASN A 42 3.469 10.810 -2.043 1.00 0.00 H new ATOM 0 HA ASN A 42 3.235 12.459 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.314 11.259 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.165 10.144 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.884 13.790 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.365 13.159 -3.300 1.00 0.00 H new ATOM 637 N LYS A 43 3.139 9.451 -5.486 1.00 0.00 N ATOM 638 CA LYS A 43 2.623 8.701 -6.625 1.00 0.00 C ATOM 639 C LYS A 43 1.477 7.788 -6.201 1.00 0.00 C ATOM 640 O LYS A 43 0.328 7.998 -6.588 1.00 0.00 O ATOM 641 CB LYS A 43 3.739 7.873 -7.265 1.00 0.00 C ATOM 642 CG LYS A 43 4.786 8.711 -7.978 1.00 0.00 C ATOM 643 CD LYS A 43 5.574 7.885 -8.982 1.00 0.00 C ATOM 644 CE LYS A 43 6.448 8.765 -9.863 1.00 0.00 C ATOM 645 NZ LYS A 43 7.140 7.976 -10.920 1.00 0.00 N ATOM 0 H LYS A 43 3.748 8.914 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 43 2.244 9.415 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.226 7.278 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.299 7.174 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.301 9.542 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.468 9.143 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.198 7.165 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.886 7.314 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.835 9.537 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.188 9.275 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.726 8.611 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.745 7.256 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.433 7.510 -11.524 1.00 0.00 H new ATOM 659 N GLN A 44 1.798 6.776 -5.401 1.00 0.00 N ATOM 660 CA GLN A 44 0.794 5.832 -4.925 1.00 0.00 C ATOM 661 C GLN A 44 1.342 4.987 -3.779 1.00 0.00 C ATOM 662 O GLN A 44 2.515 5.092 -3.423 1.00 0.00 O ATOM 663 CB GLN A 44 0.332 4.926 -6.067 1.00 0.00 C ATOM 664 CG GLN A 44 1.473 4.216 -6.779 1.00 0.00 C ATOM 665 CD GLN A 44 1.042 3.589 -8.090 1.00 0.00 C ATOM 666 OE1 GLN A 44 -0.063 3.057 -8.204 1.00 0.00 O ATOM 667 NE2 GLN A 44 1.914 3.649 -9.090 1.00 0.00 N ATOM 0 H GLN A 44 2.744 6.589 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.059 6.402 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.359 4.181 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.222 5.522 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.277 4.927 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.878 3.443 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.819 4.099 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.679 3.245 -9.996 1.00 0.00 H new ATOM 676 N GLY A 45 0.484 4.150 -3.204 1.00 0.00 N ATOM 677 CA GLY A 45 0.901 3.300 -2.104 1.00 0.00 C ATOM 678 C GLY A 45 0.950 1.835 -2.489 1.00 0.00 C ATOM 679 O GLY A 45 1.419 1.487 -3.573 1.00 0.00 O ATOM 0 H GLY A 45 -0.492 4.045 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.886 3.615 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.214 3.430 -1.268 1.00 0.00 H new ATOM 683 N TYR A 46 0.467 0.974 -1.601 1.00 0.00 N ATOM 684 CA TYR A 46 0.462 -0.462 -1.853 1.00 0.00 C ATOM 685 C TYR A 46 -0.826 -1.100 -1.340 1.00 0.00 C ATOM 686 O TYR A 46 -1.391 -0.667 -0.336 1.00 0.00 O ATOM 687 CB TYR A 46 1.671 -1.122 -1.187 1.00 0.00 C ATOM 688 CG TYR A 46 2.997 -0.665 -1.751 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.180 -0.527 -3.121 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.067 -0.371 -0.915 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.390 -0.111 -3.642 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.280 0.046 -1.426 1.00 0.00 C ATOM 693 CZ TYR A 46 5.437 0.175 -2.791 1.00 0.00 C ATOM 694 OH TYR A 46 6.644 0.591 -3.305 1.00 0.00 O ATOM 0 H TYR A 46 0.074 1.245 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 46 0.519 -0.617 -2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.648 -0.909 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.591 -2.203 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.362 -0.749 -3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.948 -0.470 0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.515 -0.010 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.101 0.270 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 46 6.493 1.076 -4.143 1.00 0.00 H new ATOM 704 N LYS A 47 -1.284 -2.134 -2.038 1.00 0.00 N ATOM 705 CA LYS A 47 -2.504 -2.835 -1.655 1.00 0.00 C ATOM 706 C LYS A 47 -2.404 -4.321 -1.987 1.00 0.00 C ATOM 707 O LYS A 47 -2.335 -4.703 -3.156 1.00 0.00 O ATOM 708 CB LYS A 47 -3.713 -2.223 -2.365 1.00 0.00 C ATOM 709 CG LYS A 47 -4.973 -3.064 -2.256 1.00 0.00 C ATOM 710 CD LYS A 47 -6.214 -2.255 -2.594 1.00 0.00 C ATOM 711 CE LYS A 47 -7.444 -2.796 -1.880 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.543 -1.794 -1.833 1.00 0.00 N ATOM 0 H LYS A 47 -0.829 -2.505 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.632 -2.729 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.908 -1.236 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.471 -2.081 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.900 -3.919 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.060 -3.461 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.058 -1.213 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.380 -2.274 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.793 -3.695 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.175 -3.088 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.363 -2.201 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.218 -0.946 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.817 -1.534 -2.802 1.00 0.00 H new ATOM 726 N CYS A 48 -2.398 -5.155 -0.952 1.00 0.00 N ATOM 727 CA CYS A 48 -2.308 -6.598 -1.134 1.00 0.00 C ATOM 728 C CYS A 48 -3.550 -7.137 -1.838 1.00 0.00 C ATOM 729 O CYS A 48 -4.671 -6.974 -1.354 1.00 0.00 O ATOM 730 CB CYS A 48 -2.134 -7.293 0.218 1.00 0.00 C ATOM 731 SG CYS A 48 -1.845 -9.088 0.100 1.00 0.00 S ATOM 0 H CYS A 48 -2.454 -4.855 0.021 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.439 -6.807 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.297 -6.835 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.025 -7.118 0.822 1.00 0.00 H new ATOM 736 N ARG A 49 -3.343 -7.778 -2.983 1.00 0.00 N ATOM 737 CA ARG A 49 -4.445 -8.340 -3.755 1.00 0.00 C ATOM 738 C ARG A 49 -4.889 -9.679 -3.173 1.00 0.00 C ATOM 739 O ARG A 49 -5.613 -10.437 -3.819 1.00 0.00 O ATOM 740 CB ARG A 49 -4.033 -8.518 -5.217 1.00 0.00 C ATOM 741 CG ARG A 49 -2.689 -9.208 -5.391 1.00 0.00 C ATOM 742 CD ARG A 49 -2.639 -10.012 -6.681 1.00 0.00 C ATOM 743 NE ARG A 49 -3.630 -11.084 -6.698 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.742 -11.967 -7.682 1.00 0.00 C ATOM 745 NH1 ARG A 49 -2.927 -11.907 -8.727 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.669 -12.914 -7.626 1.00 0.00 N ATOM 0 H ARG A 49 -2.422 -7.921 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.283 -7.645 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.799 -9.097 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.995 -7.540 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.894 -8.463 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.504 -9.867 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.809 -9.348 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.643 -10.437 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.272 -11.158 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.212 -11.181 -8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.015 -12.587 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.298 -12.965 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.753 -13.591 -8.384 1.00 0.00 H new ATOM 760 N GLN A 50 -4.450 -9.962 -1.952 1.00 0.00 N ATOM 761 CA GLN A 50 -4.801 -11.210 -1.284 1.00 0.00 C ATOM 762 C GLN A 50 -5.734 -10.953 -0.105 1.00 0.00 C ATOM 763 O GLN A 50 -6.809 -11.547 -0.008 1.00 0.00 O ATOM 764 CB GLN A 50 -3.540 -11.930 -0.805 1.00 0.00 C ATOM 765 CG GLN A 50 -2.482 -12.087 -1.884 1.00 0.00 C ATOM 766 CD GLN A 50 -2.676 -13.341 -2.714 1.00 0.00 C ATOM 767 OE1 GLN A 50 -2.127 -14.397 -2.401 1.00 0.00 O ATOM 768 NE2 GLN A 50 -3.461 -13.230 -3.779 1.00 0.00 N ATOM 0 H GLN A 50 -3.851 -9.345 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.320 -11.843 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.113 -11.379 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.815 -12.916 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.504 -11.216 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.496 -12.112 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.896 -12.334 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.629 -14.040 -4.375 1.00 0.00 H new ATOM 777 N CYS A 51 -5.316 -10.064 0.791 1.00 0.00 N ATOM 778 CA CYS A 51 -6.112 -9.728 1.965 1.00 0.00 C ATOM 779 C CYS A 51 -6.716 -8.332 1.831 1.00 0.00 C ATOM 780 O CYS A 51 -7.535 -7.919 2.649 1.00 0.00 O ATOM 781 CB CYS A 51 -5.253 -9.806 3.229 1.00 0.00 C ATOM 782 SG CYS A 51 -3.755 -8.773 3.174 1.00 0.00 S ATOM 0 H CYS A 51 -4.430 -9.563 0.726 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.925 -10.450 2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.857 -9.506 4.085 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.960 -10.843 3.393 1.00 0.00 H new ATOM 787 N ASN A 52 -6.303 -7.612 0.794 1.00 0.00 N ATOM 788 CA ASN A 52 -6.802 -6.263 0.553 1.00 0.00 C ATOM 789 C ASN A 52 -6.322 -5.304 1.637 1.00 0.00 C ATOM 790 O ASN A 52 -7.097 -4.504 2.160 1.00 0.00 O ATOM 791 CB ASN A 52 -8.331 -6.265 0.497 1.00 0.00 C ATOM 792 CG ASN A 52 -8.886 -7.541 -0.105 1.00 0.00 C ATOM 793 OD1 ASN A 52 -8.324 -8.089 -1.053 1.00 0.00 O ATOM 794 ND2 ASN A 52 -9.997 -8.020 0.444 1.00 0.00 N ATOM 0 H ASN A 52 -5.624 -7.940 0.107 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.411 -5.923 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.729 -6.139 1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.671 -5.412 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.418 -8.875 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.429 -7.533 1.229 1.00 0.00 H new ATOM 801 N ALA A 53 -5.038 -5.390 1.969 1.00 0.00 N ATOM 802 CA ALA A 53 -4.454 -4.528 2.990 1.00 0.00 C ATOM 803 C ALA A 53 -3.707 -3.358 2.358 1.00 0.00 C ATOM 804 O ALA A 53 -2.573 -3.505 1.906 1.00 0.00 O ATOM 805 CB ALA A 53 -3.521 -5.329 3.886 1.00 0.00 C ATOM 0 H ALA A 53 -4.383 -6.047 1.546 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.264 -4.124 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.092 -4.673 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.081 -6.128 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.721 -5.761 3.285 1.00 0.00 H new ATOM 811 N ALA A 54 -4.353 -2.196 2.331 1.00 0.00 N ATOM 812 CA ALA A 54 -3.750 -1.001 1.756 1.00 0.00 C ATOM 813 C ALA A 54 -2.867 -0.286 2.774 1.00 0.00 C ATOM 814 O ALA A 54 -3.312 0.039 3.875 1.00 0.00 O ATOM 815 CB ALA A 54 -4.829 -0.061 1.239 1.00 0.00 C ATOM 0 H ALA A 54 -5.294 -2.058 2.701 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.121 -1.309 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.364 0.827 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.416 -0.567 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.482 0.231 2.062 1.00 0.00 H new ATOM 821 N ILE A 55 -1.614 -0.047 2.400 1.00 0.00 N ATOM 822 CA ILE A 55 -0.670 0.628 3.282 1.00 0.00 C ATOM 823 C ILE A 55 0.217 1.592 2.501 1.00 0.00 C ATOM 824 O ILE A 55 0.201 1.609 1.270 1.00 0.00 O ATOM 825 CB ILE A 55 0.221 -0.380 4.031 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.244 -0.997 3.075 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.631 -1.464 4.674 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.196 -1.962 3.749 1.00 0.00 C ATOM 0 H ILE A 55 -1.230 -0.311 1.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.260 1.187 4.008 1.00 0.00 H new ATOM 0 HB ILE A 55 0.759 0.148 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.715 -1.518 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.820 -0.198 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.013 -2.169 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.325 -1.010 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.192 -1.991 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.893 -2.361 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.752 -1.440 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.630 -2.781 4.193 1.00 0.00 H new ATOM 840 N HIS A 56 0.992 2.392 3.227 1.00 0.00 N ATOM 841 CA HIS A 56 1.889 3.358 2.602 1.00 0.00 C ATOM 842 C HIS A 56 3.215 2.704 2.223 1.00 0.00 C ATOM 843 O HIS A 56 3.626 1.715 2.831 1.00 0.00 O ATOM 844 CB HIS A 56 2.139 4.536 3.544 1.00 0.00 C ATOM 845 CG HIS A 56 0.916 5.360 3.812 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.068 4.978 4.699 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.523 6.551 3.306 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.015 5.898 4.725 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.680 6.863 3.889 1.00 0.00 N ATOM 0 H HIS A 56 1.017 2.391 4.247 1.00 0.00 H new ATOM 0 HA HIS A 56 1.412 3.724 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.527 4.158 4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.911 5.175 3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.056 7.146 2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.911 5.866 5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.227 7.704 3.706 1.00 0.00 H new ATOM 857 N LYS A 57 3.877 3.262 1.216 1.00 0.00 N ATOM 858 CA LYS A 57 5.156 2.733 0.756 1.00 0.00 C ATOM 859 C LYS A 57 6.148 2.628 1.910 1.00 0.00 C ATOM 860 O LYS A 57 6.999 1.739 1.932 1.00 0.00 O ATOM 861 CB LYS A 57 5.732 3.625 -0.347 1.00 0.00 C ATOM 862 CG LYS A 57 6.769 2.928 -1.212 1.00 0.00 C ATOM 863 CD LYS A 57 7.709 3.925 -1.867 1.00 0.00 C ATOM 864 CE LYS A 57 8.667 3.238 -2.829 1.00 0.00 C ATOM 865 NZ LYS A 57 9.173 4.175 -3.871 1.00 0.00 N ATOM 0 H LYS A 57 3.550 4.080 0.703 1.00 0.00 H new ATOM 0 HA LYS A 57 4.985 1.734 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.918 3.976 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.184 4.506 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.344 2.231 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.267 2.340 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.129 4.676 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.277 4.450 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.508 2.826 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.161 2.400 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.822 3.669 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.373 4.549 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.678 4.962 -3.415 1.00 0.00 H new ATOM 879 N LYS A 58 6.032 3.539 2.870 1.00 0.00 N ATOM 880 CA LYS A 58 6.917 3.549 4.029 1.00 0.00 C ATOM 881 C LYS A 58 6.381 2.637 5.128 1.00 0.00 C ATOM 882 O LYS A 58 7.141 2.127 5.951 1.00 0.00 O ATOM 883 CB LYS A 58 7.074 4.974 4.564 1.00 0.00 C ATOM 884 CG LYS A 58 5.794 5.550 5.146 1.00 0.00 C ATOM 885 CD LYS A 58 6.023 6.931 5.737 1.00 0.00 C ATOM 886 CE LYS A 58 4.711 7.665 5.963 1.00 0.00 C ATOM 887 NZ LYS A 58 4.034 7.220 7.213 1.00 0.00 N ATOM 0 H LYS A 58 5.332 4.281 2.868 1.00 0.00 H new ATOM 0 HA LYS A 58 7.892 3.177 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.848 4.982 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.419 5.620 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.033 5.608 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.411 4.882 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.557 6.839 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.657 7.514 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.899 8.737 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.050 7.497 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.143 7.744 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.831 6.202 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.654 7.403 8.028 1.00 0.00 H new ATOM 901 N CYS A 59 5.067 2.435 5.136 1.00 0.00 N ATOM 902 CA CYS A 59 4.430 1.584 6.133 1.00 0.00 C ATOM 903 C CYS A 59 4.782 0.117 5.902 1.00 0.00 C ATOM 904 O CYS A 59 4.590 -0.724 6.780 1.00 0.00 O ATOM 905 CB CYS A 59 2.911 1.766 6.094 1.00 0.00 C ATOM 906 SG CYS A 59 2.317 3.245 6.976 1.00 0.00 S ATOM 0 H CYS A 59 4.423 2.850 4.462 1.00 0.00 H new ATOM 0 HA CYS A 59 4.800 1.879 7.115 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.589 1.822 5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.439 0.884 6.527 1.00 0.00 H new ATOM 911 N ILE A 60 5.301 -0.182 4.715 1.00 0.00 N ATOM 912 CA ILE A 60 5.682 -1.545 4.370 1.00 0.00 C ATOM 913 C ILE A 60 6.827 -2.035 5.249 1.00 0.00 C ATOM 914 O ILE A 60 6.852 -3.194 5.666 1.00 0.00 O ATOM 915 CB ILE A 60 6.100 -1.656 2.891 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.799 -3.057 2.357 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.577 -1.329 2.734 1.00 0.00 C ATOM 918 CD1 ILE A 60 6.035 -3.201 0.869 1.00 0.00 C ATOM 0 H ILE A 60 5.467 0.502 3.977 1.00 0.00 H new ATOM 0 HA ILE A 60 4.805 -2.170 4.539 1.00 0.00 H new ATOM 0 HB ILE A 60 5.524 -0.936 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.420 -3.780 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.761 -3.306 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.858 -1.411 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.764 -0.313 3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.169 -2.028 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.801 -4.220 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.395 -2.503 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.079 -2.984 0.644 1.00 0.00 H new ATOM 930 N ASP A 61 7.773 -1.146 5.529 1.00 0.00 N ATOM 931 CA ASP A 61 8.921 -1.487 6.362 1.00 0.00 C ATOM 932 C ASP A 61 8.550 -1.447 7.841 1.00 0.00 C ATOM 933 O ASP A 61 9.391 -1.680 8.709 1.00 0.00 O ATOM 934 CB ASP A 61 10.079 -0.527 6.087 1.00 0.00 C ATOM 935 CG ASP A 61 10.435 -0.454 4.615 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.663 -1.520 4.006 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.485 0.669 4.072 1.00 0.00 O ATOM 0 H ASP A 61 7.768 -0.183 5.192 1.00 0.00 H new ATOM 0 HA ASP A 61 9.233 -2.501 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.814 0.468 6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.954 -0.846 6.654 1.00 0.00 H new ATOM 942 N LYS A 62 7.286 -1.148 8.121 1.00 0.00 N ATOM 943 CA LYS A 62 6.802 -1.078 9.494 1.00 0.00 C ATOM 944 C LYS A 62 5.995 -2.321 9.852 1.00 0.00 C ATOM 945 O LYS A 62 6.068 -2.818 10.976 1.00 0.00 O ATOM 946 CB LYS A 62 5.944 0.174 9.690 1.00 0.00 C ATOM 947 CG LYS A 62 6.714 1.472 9.523 1.00 0.00 C ATOM 948 CD LYS A 62 7.616 1.743 10.717 1.00 0.00 C ATOM 949 CE LYS A 62 7.856 3.233 10.907 1.00 0.00 C ATOM 950 NZ LYS A 62 6.678 3.911 11.516 1.00 0.00 N ATOM 0 H LYS A 62 6.578 -0.950 7.414 1.00 0.00 H new ATOM 0 HA LYS A 62 7.667 -1.026 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.121 0.155 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.502 0.149 10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.315 1.425 8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.014 2.298 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.163 1.328 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.570 1.235 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.729 3.382 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.080 3.691 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.927 4.892 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.888 3.908 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.395 3.406 12.380 1.00 0.00 H new ATOM 964 N ILE A 63 5.227 -2.820 8.888 1.00 0.00 N ATOM 965 CA ILE A 63 4.409 -4.007 9.102 1.00 0.00 C ATOM 966 C ILE A 63 5.115 -5.005 10.013 1.00 0.00 C ATOM 967 O ILE A 63 6.338 -5.147 9.966 1.00 0.00 O ATOM 968 CB ILE A 63 4.065 -4.701 7.769 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.227 -3.771 6.889 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.325 -6.005 8.028 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.864 -4.375 5.549 1.00 0.00 C ATOM 0 H ILE A 63 5.155 -2.421 7.952 1.00 0.00 H new ATOM 0 HA ILE A 63 3.487 -3.673 9.578 1.00 0.00 H new ATOM 0 HB ILE A 63 4.992 -4.931 7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.312 -3.508 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.778 -2.845 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.089 -6.484 7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.954 -6.668 8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.402 -5.798 8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.270 -3.662 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.774 -4.613 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.286 -5.286 5.705 1.00 0.00 H new ATOM 983 N ILE A 64 4.338 -5.695 10.840 1.00 0.00 N ATOM 984 CA ILE A 64 4.889 -6.683 11.760 1.00 0.00 C ATOM 985 C ILE A 64 4.480 -8.096 11.360 1.00 0.00 C ATOM 986 O ILE A 64 5.316 -8.906 10.963 1.00 0.00 O ATOM 987 CB ILE A 64 4.433 -6.419 13.208 1.00 0.00 C ATOM 988 CG1 ILE A 64 4.838 -5.010 13.644 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.022 -7.460 14.147 1.00 0.00 C ATOM 990 CD1 ILE A 64 4.172 -4.560 14.926 1.00 0.00 C ATOM 0 H ILE A 64 3.325 -5.589 10.892 1.00 0.00 H new ATOM 0 HA ILE A 64 5.974 -6.593 11.707 1.00 0.00 H new ATOM 0 HB ILE A 64 3.346 -6.494 13.251 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.920 -4.975 13.774 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.590 -4.307 12.849 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.691 -7.260 15.166 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.688 -8.453 13.845 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.110 -7.415 14.104 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.505 -3.553 15.175 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.090 -4.562 14.794 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.440 -5.241 15.734 1.00 0.00 H new ATOM 1002 N GLY A 65 3.186 -8.384 11.465 1.00 0.00 N ATOM 1003 CA GLY A 65 2.688 -9.700 11.109 1.00 0.00 C ATOM 1004 C GLY A 65 2.884 -10.015 9.639 1.00 0.00 C ATOM 1005 O GLY A 65 3.657 -9.348 8.952 1.00 0.00 O ATOM 0 H GLY A 65 2.474 -7.730 11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.198 -10.453 11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.627 -9.762 11.353 1.00 0.00 H new ATOM 1009 N ARG A 66 2.182 -11.036 9.156 1.00 0.00 N ATOM 1010 CA ARG A 66 2.284 -11.440 7.759 1.00 0.00 C ATOM 1011 C ARG A 66 0.900 -11.625 7.144 1.00 0.00 C ATOM 1012 O ARG A 66 -0.116 -11.329 7.773 1.00 0.00 O ATOM 1013 CB ARG A 66 3.085 -12.738 7.639 1.00 0.00 C ATOM 1014 CG ARG A 66 2.765 -13.753 8.722 1.00 0.00 C ATOM 1015 CD ARG A 66 1.292 -14.126 8.719 1.00 0.00 C ATOM 1016 NE ARG A 66 0.505 -13.260 9.592 1.00 0.00 N ATOM 1017 CZ ARG A 66 0.383 -13.451 10.901 1.00 0.00 C ATOM 1018 NH1 ARG A 66 0.992 -14.474 11.484 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -0.351 -12.619 11.629 1.00 0.00 N ATOM 0 H ARG A 66 1.537 -11.598 9.712 1.00 0.00 H new ATOM 0 HA ARG A 66 2.801 -10.650 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.891 -13.186 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.149 -12.503 7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.368 -14.648 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.036 -13.345 9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.905 -14.063 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.180 -15.162 9.040 1.00 0.00 H new ATOM 0 HE ARG A 66 0.022 -12.465 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.556 -15.116 10.927 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.897 -14.619 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.822 -11.832 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.444 -12.767 12.634 1.00 0.00 H new ATOM 1033 N CYS A 67 0.868 -12.117 5.910 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.390 -12.342 5.209 1.00 0.00 C ATOM 1035 C CYS A 67 -1.080 -13.604 5.719 1.00 0.00 C ATOM 1036 O CYS A 67 -0.425 -14.591 6.056 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.145 -12.455 3.703 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.601 -12.064 2.681 1.00 0.00 S ATOM 0 H CYS A 67 1.699 -12.368 5.375 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.042 -11.490 5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.670 -11.785 3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.184 -13.469 3.474 1.00 0.00 H new ATOM 1043 N THR A 68 -2.408 -13.566 5.772 1.00 0.00 N ATOM 1044 CA THR A 68 -3.187 -14.704 6.243 1.00 0.00 C ATOM 1045 C THR A 68 -3.843 -15.439 5.079 1.00 0.00 C ATOM 1046 O THR A 68 -4.178 -16.617 5.186 1.00 0.00 O ATOM 1047 CB THR A 68 -4.277 -14.267 7.240 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.039 -15.403 7.661 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.200 -13.233 6.613 1.00 0.00 C ATOM 0 H THR A 68 -2.966 -12.759 5.494 1.00 0.00 H new ATOM 0 HA THR A 68 -2.492 -15.375 6.749 1.00 0.00 H new ATOM 0 HB THR A 68 -3.789 -13.817 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.729 -15.117 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.962 -12.939 7.335 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.620 -12.357 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.680 -13.660 5.733 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.026 -14.732 3.966 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.641 -15.335 2.798 1.00 0.00 C ATOM 1059 C GLY A 69 -3.622 -15.934 1.849 1.00 0.00 C ATOM 1060 O GLY A 69 -3.114 -15.249 0.959 1.00 0.00 O ATOM 0 H GLY A 69 -3.759 -13.754 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.336 -16.112 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.226 -14.582 2.270 1.00 0.00 H new ATOM 1064 N THR A 70 -3.320 -17.214 2.038 1.00 0.00 N ATOM 1065 CA THR A 70 -2.353 -17.904 1.194 1.00 0.00 C ATOM 1066 C THR A 70 -3.049 -18.840 0.212 1.00 0.00 C ATOM 1067 O THR A 70 -3.147 -20.043 0.451 1.00 0.00 O ATOM 1068 CB THR A 70 -1.350 -18.715 2.036 1.00 0.00 C ATOM 1069 OG1 THR A 70 -2.049 -19.648 2.867 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.501 -17.795 2.900 1.00 0.00 C ATOM 0 H THR A 70 -3.732 -17.794 2.769 1.00 0.00 H new ATOM 0 HA THR A 70 -1.813 -17.136 0.639 1.00 0.00 H new ATOM 0 HB THR A 70 -0.693 -19.257 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.703 -20.140 2.328 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.200 -18.390 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.053 -17.106 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.146 -17.229 3.572 1.00 0.00 H new ATOM 1078 N ALA A 71 -3.529 -18.280 -0.893 1.00 0.00 N ATOM 1079 CA ALA A 71 -4.214 -19.066 -1.911 1.00 0.00 C ATOM 1080 C ALA A 71 -3.614 -20.462 -2.024 1.00 0.00 C ATOM 1081 O ALA A 71 -2.416 -20.653 -1.806 1.00 0.00 O ATOM 1082 CB ALA A 71 -4.154 -18.355 -3.256 1.00 0.00 C ATOM 0 H ALA A 71 -3.456 -17.285 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.257 -19.170 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.670 -18.953 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.636 -17.381 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.113 -18.221 -3.551 1.00 0.00 H new ATOM 1088 N ALA A 72 -4.451 -21.436 -2.363 1.00 0.00 N ATOM 1089 CA ALA A 72 -4.002 -22.816 -2.504 1.00 0.00 C ATOM 1090 C ALA A 72 -3.550 -23.387 -1.164 1.00 0.00 C ATOM 1091 O ALA A 72 -2.479 -23.983 -1.063 1.00 0.00 O ATOM 1092 CB ALA A 72 -2.876 -22.902 -3.524 1.00 0.00 C ATOM 0 H ALA A 72 -5.445 -21.295 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.844 -23.412 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.550 -23.938 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.232 -22.543 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.039 -22.287 -3.194 1.00 0.00 H new ATOM 1098 N ASN A 73 -4.373 -23.198 -0.138 1.00 0.00 N ATOM 1099 CA ASN A 73 -4.057 -23.693 1.196 1.00 0.00 C ATOM 1100 C ASN A 73 -4.799 -24.994 1.484 1.00 0.00 C ATOM 1101 O ASN A 73 -5.655 -25.417 0.707 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.417 -22.644 2.251 1.00 0.00 C ATOM 1103 CG ASN A 73 -3.874 -22.994 3.623 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -2.911 -23.750 3.748 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -4.492 -22.442 4.662 1.00 0.00 N ATOM 0 H ASN A 73 -5.264 -22.706 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.986 -23.889 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.024 -21.675 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.501 -22.546 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.171 -22.640 5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.287 -21.821 4.511 1.00 0.00 H new ATOM 1112 N SER A 74 -4.466 -25.624 2.606 1.00 0.00 N ATOM 1113 CA SER A 74 -5.099 -26.879 2.996 1.00 0.00 C ATOM 1114 C SER A 74 -6.617 -26.734 3.030 1.00 0.00 C ATOM 1115 O SER A 74 -7.149 -25.631 2.903 1.00 0.00 O ATOM 1116 CB SER A 74 -4.587 -27.329 4.365 1.00 0.00 C ATOM 1117 OG SER A 74 -4.809 -26.330 5.346 1.00 0.00 O ATOM 0 H SER A 74 -3.761 -25.286 3.261 1.00 0.00 H new ATOM 0 HA SER A 74 -4.840 -27.634 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.089 -28.250 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.522 -27.552 4.303 1.00 0.00 H new ATOM 0 HG SER A 74 -4.475 -26.642 6.213 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.308 -27.856 3.200 1.00 0.00 N ATOM 1124 CA ARG A 75 -8.765 -27.856 3.249 1.00 0.00 C ATOM 1125 C ARG A 75 -9.353 -27.271 1.968 1.00 0.00 C ATOM 1126 O ARG A 75 -10.367 -26.576 2.000 1.00 0.00 O ATOM 1127 CB ARG A 75 -9.256 -27.058 4.459 1.00 0.00 C ATOM 1128 CG ARG A 75 -9.065 -27.779 5.782 1.00 0.00 C ATOM 1129 CD ARG A 75 -9.541 -26.931 6.952 1.00 0.00 C ATOM 1130 NE ARG A 75 -10.960 -27.133 7.234 1.00 0.00 N ATOM 1131 CZ ARG A 75 -11.431 -28.160 7.932 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -10.601 -29.073 8.417 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -12.735 -28.275 8.146 1.00 0.00 N ATOM 0 H ARG A 75 -6.882 -28.777 3.306 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.100 -28.889 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.727 -26.106 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.314 -26.830 4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.613 -28.721 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.012 -28.026 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.957 -27.177 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.361 -25.878 6.733 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.625 -26.448 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.598 -28.988 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.966 -29.861 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.377 -27.574 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.096 -29.064 8.682 1.00 0.00 H new ATOM 1147 N ASP A 76 -8.707 -27.560 0.843 1.00 0.00 N ATOM 1148 CA ASP A 76 -9.166 -27.064 -0.449 1.00 0.00 C ATOM 1149 C ASP A 76 -8.654 -27.947 -1.583 1.00 0.00 C ATOM 1150 O ASP A 76 -7.817 -28.825 -1.372 1.00 0.00 O ATOM 1151 CB ASP A 76 -8.701 -25.621 -0.660 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.660 -24.824 -1.522 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.870 -25.132 -1.503 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.200 -23.893 -2.215 1.00 0.00 O ATOM 0 H ASP A 76 -7.865 -28.134 0.800 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.256 -27.091 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.595 -25.131 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.715 -25.624 -1.126 1.00 0.00 H new ATOM 1159 N THR A 77 -9.165 -27.710 -2.788 1.00 0.00 N ATOM 1160 CA THR A 77 -8.762 -28.485 -3.955 1.00 0.00 C ATOM 1161 C THR A 77 -7.287 -28.865 -3.880 1.00 0.00 C ATOM 1162 O THR A 77 -6.450 -28.064 -3.463 1.00 0.00 O ATOM 1163 CB THR A 77 -9.015 -27.708 -5.260 1.00 0.00 C ATOM 1164 OG1 THR A 77 -9.041 -28.611 -6.371 1.00 0.00 O ATOM 1165 CG2 THR A 77 -7.939 -26.655 -5.480 1.00 0.00 C ATOM 0 H THR A 77 -9.859 -26.987 -2.981 1.00 0.00 H new ATOM 0 HA THR A 77 -9.368 -29.391 -3.958 1.00 0.00 H new ATOM 0 HB THR A 77 -9.980 -27.207 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.204 -28.109 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.139 -26.119 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.942 -25.952 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.964 -27.139 -5.543 1.00 0.00 H new ATOM 1173 N SER A 78 -6.975 -30.091 -4.288 1.00 0.00 N ATOM 1174 CA SER A 78 -5.601 -30.578 -4.264 1.00 0.00 C ATOM 1175 C SER A 78 -5.034 -30.673 -5.677 1.00 0.00 C ATOM 1176 O SER A 78 -5.774 -30.630 -6.659 1.00 0.00 O ATOM 1177 CB SER A 78 -5.533 -31.945 -3.581 1.00 0.00 C ATOM 1178 OG SER A 78 -4.195 -32.294 -3.269 1.00 0.00 O ATOM 0 H SER A 78 -7.655 -30.765 -4.639 1.00 0.00 H new ATOM 0 HA SER A 78 -5.000 -29.867 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.130 -31.929 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.967 -32.703 -4.233 1.00 0.00 H new ATOM 0 HG SER A 78 -4.179 -33.171 -2.832 1.00 0.00 H new ATOM 1184 N GLY A 79 -3.714 -30.805 -5.771 1.00 0.00 N ATOM 1185 CA GLY A 79 -3.069 -30.904 -7.067 1.00 0.00 C ATOM 1186 C GLY A 79 -1.576 -30.649 -6.993 1.00 0.00 C ATOM 1187 O GLY A 79 -1.061 -29.687 -7.564 1.00 0.00 O ATOM 0 H GLY A 79 -3.080 -30.845 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.245 -31.896 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.523 -30.187 -7.751 1.00 0.00 H new ATOM 1191 N PRO A 80 -0.857 -31.523 -6.275 1.00 0.00 N ATOM 1192 CA PRO A 80 0.595 -31.408 -6.110 1.00 0.00 C ATOM 1193 C PRO A 80 1.349 -31.700 -7.402 1.00 0.00 C ATOM 1194 O PRO A 80 0.846 -32.399 -8.282 1.00 0.00 O ATOM 1195 CB PRO A 80 0.917 -32.467 -5.052 1.00 0.00 C ATOM 1196 CG PRO A 80 -0.180 -33.468 -5.171 1.00 0.00 C ATOM 1197 CD PRO A 80 -1.407 -32.693 -5.567 1.00 0.00 C ATOM 0 HA PRO A 80 0.895 -30.399 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.890 -32.923 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.949 -32.032 -4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.061 -34.225 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.336 -33.990 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.063 -33.280 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.994 -32.397 -4.697 1.00 0.00 H new ATOM 1205 N SER A 81 2.559 -31.162 -7.510 1.00 0.00 N ATOM 1206 CA SER A 81 3.383 -31.361 -8.696 1.00 0.00 C ATOM 1207 C SER A 81 4.147 -32.679 -8.612 1.00 0.00 C ATOM 1208 O SER A 81 4.094 -33.376 -7.599 1.00 0.00 O ATOM 1209 CB SER A 81 4.364 -30.199 -8.866 1.00 0.00 C ATOM 1210 OG SER A 81 5.240 -30.107 -7.755 1.00 0.00 O ATOM 0 H SER A 81 2.991 -30.584 -6.789 1.00 0.00 H new ATOM 0 HA SER A 81 2.723 -31.398 -9.563 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.943 -30.337 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.812 -29.266 -8.977 1.00 0.00 H new ATOM 0 HG SER A 81 5.859 -29.358 -7.887 1.00 0.00 H new ATOM 1216 N SER A 82 4.858 -33.013 -9.685 1.00 0.00 N ATOM 1217 CA SER A 82 5.631 -34.249 -9.734 1.00 0.00 C ATOM 1218 C SER A 82 6.750 -34.148 -10.766 1.00 0.00 C ATOM 1219 O SER A 82 6.834 -33.176 -11.514 1.00 0.00 O ATOM 1220 CB SER A 82 4.720 -35.432 -10.068 1.00 0.00 C ATOM 1221 OG SER A 82 4.126 -35.964 -8.896 1.00 0.00 O ATOM 0 H SER A 82 4.915 -32.446 -10.531 1.00 0.00 H new ATOM 0 HA SER A 82 6.078 -34.409 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.942 -35.112 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.296 -36.208 -10.572 1.00 0.00 H new ATOM 0 HG SER A 82 3.996 -35.247 -8.241 1.00 0.00 H new ATOM 1227 N GLY A 83 7.609 -35.162 -10.798 1.00 0.00 N ATOM 1228 CA GLY A 83 8.713 -35.170 -11.740 1.00 0.00 C ATOM 1229 C GLY A 83 9.582 -36.405 -11.606 1.00 0.00 C ATOM 1230 O GLY A 83 9.193 -37.337 -10.904 1.00 0.00 O ATOM 0 H GLY A 83 7.560 -35.978 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.320 -35.114 -12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.324 -34.281 -11.586 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.847 -9.725 2.397 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.222 3.989 6.333 1.00 0.00 ZN