USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -34:sc= 1.23 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.425 K(o=0.8,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.161 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= -0.35 (180deg=-2.13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 4:sc= 0.881 USER MOD Single : A 54 SER OG : rot -107:sc= 1.25 USER MOD Single : A 55 CYS SG : rot 14:sc= 0.64 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.919 -35.298 -16.662 1.00 0.00 N ATOM 2 CA GLY A 1 35.544 -34.340 -15.767 1.00 0.00 C ATOM 3 C GLY A 1 34.529 -33.544 -14.971 1.00 0.00 C ATOM 4 O GLY A 1 33.835 -32.687 -15.518 1.00 0.00 O ATOM 0 H1 GLY A 1 35.654 -35.817 -17.183 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.348 -35.969 -16.109 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.306 -34.795 -17.336 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.207 -34.867 -15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.164 -33.656 -16.347 1.00 0.00 H new ATOM 8 N SER A 2 34.441 -33.827 -13.676 1.00 0.00 N ATOM 9 CA SER A 2 33.500 -33.135 -12.804 1.00 0.00 C ATOM 10 C SER A 2 34.167 -32.739 -11.490 1.00 0.00 C ATOM 11 O SER A 2 35.040 -33.446 -10.986 1.00 0.00 O ATOM 12 CB SER A 2 32.284 -34.020 -12.525 1.00 0.00 C ATOM 13 OG SER A 2 32.595 -35.032 -11.584 1.00 0.00 O ATOM 0 H SER A 2 35.010 -34.531 -13.207 1.00 0.00 H new ATOM 0 HA SER A 2 33.171 -32.229 -13.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.464 -33.408 -12.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.941 -34.476 -13.454 1.00 0.00 H new ATOM 0 HG SER A 2 31.801 -35.583 -11.422 1.00 0.00 H new ATOM 19 N SER A 3 33.748 -31.603 -10.940 1.00 0.00 N ATOM 20 CA SER A 3 34.307 -31.110 -9.686 1.00 0.00 C ATOM 21 C SER A 3 33.301 -31.257 -8.548 1.00 0.00 C ATOM 22 O SER A 3 32.344 -30.490 -8.449 1.00 0.00 O ATOM 23 CB SER A 3 34.722 -29.645 -9.830 1.00 0.00 C ATOM 24 OG SER A 3 35.277 -29.151 -8.623 1.00 0.00 O ATOM 0 H SER A 3 33.024 -31.008 -11.343 1.00 0.00 H new ATOM 0 HA SER A 3 35.187 -31.708 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.450 -29.548 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.856 -29.044 -10.108 1.00 0.00 H new ATOM 0 HG SER A 3 35.536 -28.213 -8.742 1.00 0.00 H new ATOM 30 N GLY A 4 33.526 -32.248 -7.691 1.00 0.00 N ATOM 31 CA GLY A 4 32.632 -32.478 -6.572 1.00 0.00 C ATOM 32 C GLY A 4 32.770 -31.423 -5.493 1.00 0.00 C ATOM 33 O GLY A 4 32.211 -30.332 -5.606 1.00 0.00 O ATOM 0 H GLY A 4 34.312 -32.896 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.603 -32.494 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.836 -33.460 -6.144 1.00 0.00 H new ATOM 37 N SER A 5 33.516 -31.748 -4.441 1.00 0.00 N ATOM 38 CA SER A 5 33.722 -30.821 -3.334 1.00 0.00 C ATOM 39 C SER A 5 35.193 -30.771 -2.934 1.00 0.00 C ATOM 40 O SER A 5 35.900 -31.777 -2.999 1.00 0.00 O ATOM 41 CB SER A 5 32.868 -31.231 -2.133 1.00 0.00 C ATOM 42 OG SER A 5 32.784 -30.182 -1.185 1.00 0.00 O ATOM 0 H SER A 5 33.987 -32.646 -4.332 1.00 0.00 H new ATOM 0 HA SER A 5 33.420 -29.827 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.867 -31.502 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.297 -32.116 -1.663 1.00 0.00 H new ATOM 0 HG SER A 5 32.231 -30.469 -0.428 1.00 0.00 H new ATOM 48 N SER A 6 35.647 -29.593 -2.520 1.00 0.00 N ATOM 49 CA SER A 6 37.035 -29.409 -2.112 1.00 0.00 C ATOM 50 C SER A 6 37.126 -28.509 -0.883 1.00 0.00 C ATOM 51 O SER A 6 36.678 -27.363 -0.904 1.00 0.00 O ATOM 52 CB SER A 6 37.851 -28.808 -3.259 1.00 0.00 C ATOM 53 OG SER A 6 37.244 -27.626 -3.752 1.00 0.00 O ATOM 0 H SER A 6 35.074 -28.751 -2.458 1.00 0.00 H new ATOM 0 HA SER A 6 37.445 -30.386 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 6 38.861 -28.585 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 37.943 -29.536 -4.065 1.00 0.00 H new ATOM 0 HG SER A 6 36.903 -27.096 -3.002 1.00 0.00 H new ATOM 59 N GLY A 7 37.709 -29.038 0.188 1.00 0.00 N ATOM 60 CA GLY A 7 37.848 -28.271 1.412 1.00 0.00 C ATOM 61 C GLY A 7 36.977 -28.803 2.532 1.00 0.00 C ATOM 62 O GLY A 7 36.332 -29.841 2.386 1.00 0.00 O ATOM 0 H GLY A 7 38.088 -29.984 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 7 38.891 -28.285 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.588 -27.231 1.217 1.00 0.00 H new ATOM 66 N MET A 8 36.959 -28.092 3.655 1.00 0.00 N ATOM 67 CA MET A 8 36.161 -28.500 4.805 1.00 0.00 C ATOM 68 C MET A 8 34.803 -27.804 4.799 1.00 0.00 C ATOM 69 O MET A 8 34.565 -26.895 4.004 1.00 0.00 O ATOM 70 CB MET A 8 36.902 -28.184 6.106 1.00 0.00 C ATOM 71 CG MET A 8 37.875 -29.273 6.530 1.00 0.00 C ATOM 72 SD MET A 8 37.058 -30.646 7.365 1.00 0.00 S ATOM 73 CE MET A 8 37.539 -32.015 6.314 1.00 0.00 C ATOM 0 H MET A 8 37.488 -27.231 3.793 1.00 0.00 H new ATOM 0 HA MET A 8 35.999 -29.576 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 8 37.447 -27.248 5.986 1.00 0.00 H new ATOM 0 HB3 MET A 8 36.173 -28.029 6.902 1.00 0.00 H new ATOM 0 HG2 MET A 8 38.400 -29.648 5.652 1.00 0.00 H new ATOM 0 HG3 MET A 8 38.627 -28.845 7.193 1.00 0.00 H new ATOM 0 HE1 MET A 8 37.110 -32.939 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 8 37.175 -31.842 5.301 1.00 0.00 H new ATOM 0 HE3 MET A 8 38.626 -32.098 6.299 1.00 0.00 H new ATOM 83 N ALA A 9 33.917 -28.237 5.689 1.00 0.00 N ATOM 84 CA ALA A 9 32.585 -27.655 5.786 1.00 0.00 C ATOM 85 C ALA A 9 32.321 -27.120 7.190 1.00 0.00 C ATOM 86 O ALA A 9 32.791 -27.683 8.178 1.00 0.00 O ATOM 87 CB ALA A 9 31.530 -28.683 5.404 1.00 0.00 C ATOM 0 H ALA A 9 34.098 -28.989 6.354 1.00 0.00 H new ATOM 0 HA ALA A 9 32.530 -26.818 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 9 30.540 -28.234 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.699 -29.015 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 9 31.594 -29.538 6.077 1.00 0.00 H new ATOM 93 N SER A 10 31.566 -26.028 7.269 1.00 0.00 N ATOM 94 CA SER A 10 31.244 -25.414 8.552 1.00 0.00 C ATOM 95 C SER A 10 30.065 -24.455 8.414 1.00 0.00 C ATOM 96 O SER A 10 29.823 -23.901 7.343 1.00 0.00 O ATOM 97 CB SER A 10 32.460 -24.668 9.105 1.00 0.00 C ATOM 98 OG SER A 10 32.657 -23.440 8.426 1.00 0.00 O ATOM 0 H SER A 10 31.167 -25.551 6.461 1.00 0.00 H new ATOM 0 HA SER A 10 30.967 -26.207 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.322 -24.480 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.349 -25.290 9.003 1.00 0.00 H new ATOM 0 HG SER A 10 33.439 -22.982 8.799 1.00 0.00 H new ATOM 104 N GLY A 11 29.333 -24.265 9.508 1.00 0.00 N ATOM 105 CA GLY A 11 28.188 -23.374 9.490 1.00 0.00 C ATOM 106 C GLY A 11 28.185 -22.409 10.659 1.00 0.00 C ATOM 107 O GLY A 11 27.576 -22.680 11.693 1.00 0.00 O ATOM 0 H GLY A 11 29.513 -24.713 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 11 28.185 -22.810 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 11 27.272 -23.964 9.508 1.00 0.00 H new ATOM 111 N GLN A 12 28.870 -21.282 10.495 1.00 0.00 N ATOM 112 CA GLN A 12 28.945 -20.275 11.547 1.00 0.00 C ATOM 113 C GLN A 12 28.160 -19.025 11.162 1.00 0.00 C ATOM 114 O GLN A 12 27.741 -18.253 12.024 1.00 0.00 O ATOM 115 CB GLN A 12 30.404 -19.909 11.828 1.00 0.00 C ATOM 116 CG GLN A 12 31.162 -20.977 12.598 1.00 0.00 C ATOM 117 CD GLN A 12 32.586 -20.568 12.916 1.00 0.00 C ATOM 118 OE1 GLN A 12 32.819 -19.605 13.647 1.00 0.00 O ATOM 119 NE2 GLN A 12 33.549 -21.299 12.368 1.00 0.00 N ATOM 0 H GLN A 12 29.380 -21.043 9.645 1.00 0.00 H new ATOM 0 HA GLN A 12 28.502 -20.696 12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.913 -19.726 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.434 -18.977 12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 12 30.634 -21.193 13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 12 31.174 -21.899 12.016 1.00 0.00 H new ATOM 0 HE21 GLN A 12 33.311 -22.089 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 12 34.527 -21.071 12.547 1.00 0.00 H new ATOM 128 N PHE A 13 27.965 -18.832 9.861 1.00 0.00 N ATOM 129 CA PHE A 13 27.231 -17.675 9.362 1.00 0.00 C ATOM 130 C PHE A 13 25.811 -18.064 8.962 1.00 0.00 C ATOM 131 O PHE A 13 25.608 -18.881 8.064 1.00 0.00 O ATOM 132 CB PHE A 13 27.960 -17.060 8.165 1.00 0.00 C ATOM 133 CG PHE A 13 27.565 -15.638 7.890 1.00 0.00 C ATOM 134 CD1 PHE A 13 28.084 -14.601 8.649 1.00 0.00 C ATOM 135 CD2 PHE A 13 26.675 -15.337 6.871 1.00 0.00 C ATOM 136 CE1 PHE A 13 27.723 -13.291 8.398 1.00 0.00 C ATOM 137 CE2 PHE A 13 26.311 -14.028 6.615 1.00 0.00 C ATOM 138 CZ PHE A 13 26.835 -13.004 7.380 1.00 0.00 C ATOM 0 H PHE A 13 28.305 -19.462 9.134 1.00 0.00 H new ATOM 0 HA PHE A 13 27.175 -16.938 10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 13 29.035 -17.102 8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 13 27.760 -17.662 7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 13 28.779 -14.819 9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 13 26.261 -16.134 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 13 28.135 -12.492 8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 13 25.617 -13.806 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 13 26.551 -11.981 7.182 1.00 0.00 H new ATOM 148 N VAL A 14 24.830 -17.472 9.636 1.00 0.00 N ATOM 149 CA VAL A 14 23.428 -17.754 9.352 1.00 0.00 C ATOM 150 C VAL A 14 22.893 -16.836 8.259 1.00 0.00 C ATOM 151 O VAL A 14 23.029 -15.616 8.338 1.00 0.00 O ATOM 152 CB VAL A 14 22.557 -17.595 10.613 1.00 0.00 C ATOM 153 CG1 VAL A 14 21.093 -17.847 10.285 1.00 0.00 C ATOM 154 CG2 VAL A 14 23.035 -18.532 11.712 1.00 0.00 C ATOM 0 H VAL A 14 24.981 -16.794 10.383 1.00 0.00 H new ATOM 0 HA VAL A 14 23.376 -18.788 9.011 1.00 0.00 H new ATOM 0 HB VAL A 14 22.653 -16.571 10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.493 -17.730 11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 14 20.760 -17.132 9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.976 -18.860 9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 14 22.409 -18.406 12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 14 22.970 -19.563 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 14 24.069 -18.299 11.965 1.00 0.00 H new ATOM 164 N ASN A 15 22.283 -17.432 7.240 1.00 0.00 N ATOM 165 CA ASN A 15 21.726 -16.667 6.129 1.00 0.00 C ATOM 166 C ASN A 15 20.364 -17.218 5.718 1.00 0.00 C ATOM 167 O ASN A 15 20.180 -18.430 5.607 1.00 0.00 O ATOM 168 CB ASN A 15 22.682 -16.695 4.935 1.00 0.00 C ATOM 169 CG ASN A 15 22.004 -16.282 3.643 1.00 0.00 C ATOM 170 OD1 ASN A 15 21.898 -15.094 3.336 1.00 0.00 O ATOM 171 ND2 ASN A 15 21.541 -17.263 2.878 1.00 0.00 N ATOM 0 H ASN A 15 22.162 -18.442 7.160 1.00 0.00 H new ATOM 0 HA ASN A 15 21.596 -15.636 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.523 -16.029 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.090 -17.699 4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.076 -17.046 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 15 21.651 -18.234 3.171 1.00 0.00 H new ATOM 178 N LYS A 16 19.412 -16.319 5.493 1.00 0.00 N ATOM 179 CA LYS A 16 18.067 -16.713 5.092 1.00 0.00 C ATOM 180 C LYS A 16 17.465 -15.692 4.132 1.00 0.00 C ATOM 181 O LYS A 16 17.719 -14.492 4.246 1.00 0.00 O ATOM 182 CB LYS A 16 17.169 -16.863 6.322 1.00 0.00 C ATOM 183 CG LYS A 16 17.564 -18.019 7.225 1.00 0.00 C ATOM 184 CD LYS A 16 17.109 -19.352 6.655 1.00 0.00 C ATOM 185 CE LYS A 16 15.614 -19.558 6.843 1.00 0.00 C ATOM 186 NZ LYS A 16 15.067 -20.559 5.887 1.00 0.00 N ATOM 0 H LYS A 16 19.547 -15.312 5.582 1.00 0.00 H new ATOM 0 HA LYS A 16 18.134 -17.673 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.197 -15.937 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.139 -17.004 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.646 -18.028 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.126 -17.876 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.353 -19.397 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.653 -20.162 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.418 -19.886 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.097 -18.608 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.046 -20.671 6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.231 -20.234 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.542 -21.473 6.032 1.00 0.00 H new ATOM 200 N LEU A 17 16.665 -16.175 3.188 1.00 0.00 N ATOM 201 CA LEU A 17 16.024 -15.303 2.208 1.00 0.00 C ATOM 202 C LEU A 17 14.505 -15.408 2.297 1.00 0.00 C ATOM 203 O LEU A 17 13.962 -16.487 2.534 1.00 0.00 O ATOM 204 CB LEU A 17 16.490 -15.662 0.796 1.00 0.00 C ATOM 205 CG LEU A 17 15.847 -14.871 -0.344 1.00 0.00 C ATOM 206 CD1 LEU A 17 16.481 -13.494 -0.462 1.00 0.00 C ATOM 207 CD2 LEU A 17 15.970 -15.631 -1.656 1.00 0.00 C ATOM 0 H LEU A 17 16.444 -17.165 3.080 1.00 0.00 H new ATOM 0 HA LEU A 17 16.312 -14.275 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.570 -15.522 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.298 -16.722 0.630 1.00 0.00 H new ATOM 0 HG LEU A 17 14.788 -14.743 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.011 -12.946 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.340 -12.948 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.547 -13.600 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.507 -15.053 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.023 -15.791 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.468 -16.594 -1.567 1.00 0.00 H new ATOM 219 N GLN A 18 13.827 -14.282 2.103 1.00 0.00 N ATOM 220 CA GLN A 18 12.371 -14.248 2.160 1.00 0.00 C ATOM 221 C GLN A 18 11.790 -13.646 0.885 1.00 0.00 C ATOM 222 O GLN A 18 12.519 -13.103 0.056 1.00 0.00 O ATOM 223 CB GLN A 18 11.905 -13.445 3.375 1.00 0.00 C ATOM 224 CG GLN A 18 12.143 -11.949 3.243 1.00 0.00 C ATOM 225 CD GLN A 18 11.252 -11.134 4.160 1.00 0.00 C ATOM 226 OE1 GLN A 18 11.255 -11.322 5.377 1.00 0.00 O ATOM 227 NE2 GLN A 18 10.483 -10.221 3.579 1.00 0.00 N ATOM 0 H GLN A 18 14.263 -13.381 1.905 1.00 0.00 H new ATOM 0 HA GLN A 18 12.013 -15.273 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.841 -13.623 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.423 -13.810 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.187 -11.730 3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.969 -11.647 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.512 -10.099 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.863 -9.642 4.145 1.00 0.00 H new ATOM 236 N GLU A 19 10.473 -13.747 0.735 1.00 0.00 N ATOM 237 CA GLU A 19 9.795 -13.213 -0.441 1.00 0.00 C ATOM 238 C GLU A 19 9.662 -11.696 -0.350 1.00 0.00 C ATOM 239 O GLU A 19 9.353 -11.152 0.710 1.00 0.00 O ATOM 240 CB GLU A 19 8.412 -13.849 -0.592 1.00 0.00 C ATOM 241 CG GLU A 19 7.901 -13.862 -2.023 1.00 0.00 C ATOM 242 CD GLU A 19 8.936 -14.371 -3.008 1.00 0.00 C ATOM 243 OE1 GLU A 19 9.757 -13.557 -3.479 1.00 0.00 O ATOM 244 OE2 GLU A 19 8.925 -15.583 -3.307 1.00 0.00 O ATOM 0 H GLU A 19 9.855 -14.193 1.412 1.00 0.00 H new ATOM 0 HA GLU A 19 10.396 -13.456 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.449 -14.873 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.702 -13.308 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.011 -14.488 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.600 -12.853 -2.307 1.00 0.00 H new ATOM 251 N GLU A 20 9.898 -11.018 -1.469 1.00 0.00 N ATOM 252 CA GLU A 20 9.806 -9.564 -1.515 1.00 0.00 C ATOM 253 C GLU A 20 8.361 -9.104 -1.344 1.00 0.00 C ATOM 254 O GLU A 20 7.424 -9.829 -1.678 1.00 0.00 O ATOM 255 CB GLU A 20 10.368 -9.036 -2.836 1.00 0.00 C ATOM 256 CG GLU A 20 11.874 -9.195 -2.964 1.00 0.00 C ATOM 257 CD GLU A 20 12.279 -10.590 -3.402 1.00 0.00 C ATOM 258 OE1 GLU A 20 11.530 -11.204 -4.191 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.343 -11.067 -2.955 1.00 0.00 O ATOM 0 H GLU A 20 10.154 -11.453 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 20 10.397 -9.163 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.885 -9.559 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.113 -7.981 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.252 -8.468 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.342 -8.969 -2.006 1.00 0.00 H new ATOM 266 N VAL A 21 8.189 -7.894 -0.821 1.00 0.00 N ATOM 267 CA VAL A 21 6.859 -7.337 -0.607 1.00 0.00 C ATOM 268 C VAL A 21 6.754 -5.928 -1.180 1.00 0.00 C ATOM 269 O VAL A 21 7.509 -5.034 -0.797 1.00 0.00 O ATOM 270 CB VAL A 21 6.502 -7.297 0.891 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.131 -6.672 1.098 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.554 -8.696 1.488 1.00 0.00 C ATOM 0 H VAL A 21 8.954 -7.281 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 21 6.156 -7.990 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 21 7.238 -6.679 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.897 -6.653 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.133 -5.654 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.380 -7.261 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.299 -8.649 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.841 -9.339 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.559 -9.103 1.374 1.00 0.00 H new ATOM 282 N ILE A 22 5.814 -5.738 -2.099 1.00 0.00 N ATOM 283 CA ILE A 22 5.609 -4.437 -2.724 1.00 0.00 C ATOM 284 C ILE A 22 4.153 -3.999 -2.618 1.00 0.00 C ATOM 285 O ILE A 22 3.246 -4.830 -2.552 1.00 0.00 O ATOM 286 CB ILE A 22 6.022 -4.455 -4.208 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.491 -4.858 -4.347 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.778 -3.093 -4.841 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.453 -3.846 -3.765 1.00 0.00 C ATOM 0 H ILE A 22 5.182 -6.468 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 22 6.239 -3.727 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 22 5.413 -5.192 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.644 -5.818 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.722 -5.001 -5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.074 -3.121 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.719 -2.843 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.365 -2.338 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.476 -4.197 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.328 -2.890 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.249 -3.720 -2.702 1.00 0.00 H new ATOM 301 N CYS A 23 3.934 -2.688 -2.604 1.00 0.00 N ATOM 302 CA CYS A 23 2.588 -2.138 -2.508 1.00 0.00 C ATOM 303 C CYS A 23 1.868 -2.224 -3.851 1.00 0.00 C ATOM 304 O CYS A 23 2.300 -1.653 -4.852 1.00 0.00 O ATOM 305 CB CYS A 23 2.641 -0.683 -2.037 1.00 0.00 C ATOM 306 SG CYS A 23 1.060 -0.052 -1.391 1.00 0.00 S ATOM 0 H CYS A 23 4.673 -1.987 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 23 2.032 -2.728 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.401 -0.591 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.958 -0.054 -2.869 1.00 0.00 H new ATOM 311 N PRO A 24 0.742 -2.954 -3.873 1.00 0.00 N ATOM 312 CA PRO A 24 -0.062 -3.131 -5.085 1.00 0.00 C ATOM 313 C PRO A 24 -0.770 -1.847 -5.504 1.00 0.00 C ATOM 314 O PRO A 24 -1.480 -1.819 -6.510 1.00 0.00 O ATOM 315 CB PRO A 24 -1.083 -4.197 -4.681 1.00 0.00 C ATOM 316 CG PRO A 24 -1.194 -4.073 -3.200 1.00 0.00 C ATOM 317 CD PRO A 24 0.169 -3.661 -2.716 1.00 0.00 C ATOM 0 HA PRO A 24 0.550 -3.411 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.045 -4.028 -5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.751 -5.194 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.946 -3.333 -2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.498 -5.018 -2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.106 -3.014 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.773 -4.523 -2.433 1.00 0.00 H new ATOM 325 N ILE A 25 -0.572 -0.787 -4.728 1.00 0.00 N ATOM 326 CA ILE A 25 -1.190 0.500 -5.020 1.00 0.00 C ATOM 327 C ILE A 25 -0.220 1.424 -5.748 1.00 0.00 C ATOM 328 O ILE A 25 -0.474 1.845 -6.877 1.00 0.00 O ATOM 329 CB ILE A 25 -1.677 1.195 -3.735 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.683 0.308 -2.999 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.295 2.546 -4.066 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.678 0.505 -1.499 1.00 0.00 C ATOM 0 H ILE A 25 0.012 -0.794 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.047 0.299 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.821 1.359 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.683 0.513 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.465 -0.737 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.635 3.025 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.551 3.177 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.143 2.404 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.415 -0.156 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.689 0.272 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.926 1.541 -1.267 1.00 0.00 H new ATOM 344 N CYS A 26 0.895 1.734 -5.096 1.00 0.00 N ATOM 345 CA CYS A 26 1.906 2.607 -5.680 1.00 0.00 C ATOM 346 C CYS A 26 2.982 1.792 -6.392 1.00 0.00 C ATOM 347 O CYS A 26 3.693 2.304 -7.258 1.00 0.00 O ATOM 348 CB CYS A 26 2.545 3.479 -4.597 1.00 0.00 C ATOM 349 SG CYS A 26 2.991 2.574 -3.081 1.00 0.00 S ATOM 0 H CYS A 26 1.122 1.393 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 26 1.416 3.249 -6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.441 3.947 -5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.855 4.282 -4.338 1.00 0.00 H new ATOM 354 N LEU A 27 3.096 0.522 -6.022 1.00 0.00 N ATOM 355 CA LEU A 27 4.085 -0.365 -6.625 1.00 0.00 C ATOM 356 C LEU A 27 5.502 0.104 -6.310 1.00 0.00 C ATOM 357 O LEU A 27 6.349 0.193 -7.199 1.00 0.00 O ATOM 358 CB LEU A 27 3.883 -0.433 -8.139 1.00 0.00 C ATOM 359 CG LEU A 27 2.533 -0.972 -8.613 1.00 0.00 C ATOM 360 CD1 LEU A 27 2.398 -0.825 -10.120 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.365 -2.427 -8.200 1.00 0.00 C ATOM 0 H LEU A 27 2.516 0.083 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 27 3.949 -1.360 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.016 0.568 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.670 -1.057 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 27 1.744 -0.387 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.431 -1.214 -10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.472 0.228 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.194 -1.384 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.399 -2.794 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.160 -3.025 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.415 -2.505 -7.114 1.00 0.00 H new ATOM 373 N ASP A 28 5.752 0.402 -5.040 1.00 0.00 N ATOM 374 CA ASP A 28 7.068 0.859 -4.606 1.00 0.00 C ATOM 375 C ASP A 28 7.499 0.144 -3.330 1.00 0.00 C ATOM 376 O ASP A 28 6.680 -0.469 -2.644 1.00 0.00 O ATOM 377 CB ASP A 28 7.056 2.372 -4.379 1.00 0.00 C ATOM 378 CG ASP A 28 7.412 3.148 -5.631 1.00 0.00 C ATOM 379 OD1 ASP A 28 8.197 2.626 -6.449 1.00 0.00 O ATOM 380 OD2 ASP A 28 6.906 4.279 -5.792 1.00 0.00 O ATOM 0 H ASP A 28 5.061 0.336 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 28 7.785 0.623 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.068 2.677 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.761 2.623 -3.587 1.00 0.00 H new ATOM 385 N ILE A 29 8.788 0.225 -3.019 1.00 0.00 N ATOM 386 CA ILE A 29 9.327 -0.415 -1.825 1.00 0.00 C ATOM 387 C ILE A 29 8.575 0.030 -0.576 1.00 0.00 C ATOM 388 O ILE A 29 8.589 1.208 -0.216 1.00 0.00 O ATOM 389 CB ILE A 29 10.825 -0.104 -1.648 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.617 -0.590 -2.863 1.00 0.00 C ATOM 391 CG2 ILE A 29 11.352 -0.747 -0.374 1.00 0.00 C ATOM 392 CD1 ILE A 29 13.036 -0.069 -2.907 1.00 0.00 C ATOM 0 H ILE A 29 9.479 0.727 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 29 9.201 -1.489 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 29 10.949 0.976 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.639 -1.680 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 29 11.098 -0.284 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.412 -0.518 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.804 -0.357 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.218 -1.827 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.538 -0.454 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 29 13.023 1.020 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.572 -0.397 -2.016 1.00 0.00 H new ATOM 404 N LEU A 30 7.920 -0.919 0.084 1.00 0.00 N ATOM 405 CA LEU A 30 7.163 -0.626 1.296 1.00 0.00 C ATOM 406 C LEU A 30 8.035 0.089 2.323 1.00 0.00 C ATOM 407 O LEU A 30 8.850 -0.537 3.001 1.00 0.00 O ATOM 408 CB LEU A 30 6.602 -1.917 1.895 1.00 0.00 C ATOM 409 CG LEU A 30 5.161 -2.261 1.518 1.00 0.00 C ATOM 410 CD1 LEU A 30 5.132 -3.208 0.329 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.430 -2.871 2.706 1.00 0.00 C ATOM 0 H LEU A 30 7.898 -1.898 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 30 6.336 0.032 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.243 -2.744 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.666 -1.848 2.981 1.00 0.00 H new ATOM 0 HG LEU A 30 4.650 -1.341 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.098 -3.442 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.617 -2.735 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.660 -4.127 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.406 -3.110 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.941 -3.782 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.419 -2.159 3.531 1.00 0.00 H new ATOM 423 N GLN A 31 7.856 1.401 2.433 1.00 0.00 N ATOM 424 CA GLN A 31 8.626 2.200 3.379 1.00 0.00 C ATOM 425 C GLN A 31 8.311 1.796 4.816 1.00 0.00 C ATOM 426 O GLN A 31 9.127 1.983 5.718 1.00 0.00 O ATOM 427 CB GLN A 31 8.334 3.688 3.179 1.00 0.00 C ATOM 428 CG GLN A 31 8.641 4.185 1.776 1.00 0.00 C ATOM 429 CD GLN A 31 9.043 5.646 1.749 1.00 0.00 C ATOM 430 OE1 GLN A 31 9.714 6.134 2.659 1.00 0.00 O ATOM 431 NE2 GLN A 31 8.635 6.354 0.702 1.00 0.00 N ATOM 0 H GLN A 31 7.185 1.933 1.879 1.00 0.00 H new ATOM 0 HA GLN A 31 9.684 2.017 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.284 3.877 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.919 4.264 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.444 3.583 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.765 4.042 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.081 5.909 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.876 7.342 0.629 1.00 0.00 H new ATOM 440 N LYS A 32 7.121 1.241 5.021 1.00 0.00 N ATOM 441 CA LYS A 32 6.697 0.810 6.348 1.00 0.00 C ATOM 442 C LYS A 32 5.656 -0.302 6.251 1.00 0.00 C ATOM 443 O LYS A 32 4.479 -0.061 5.983 1.00 0.00 O ATOM 444 CB LYS A 32 6.124 1.992 7.133 1.00 0.00 C ATOM 445 CG LYS A 32 7.187 2.912 7.709 1.00 0.00 C ATOM 446 CD LYS A 32 6.568 4.092 8.438 1.00 0.00 C ATOM 447 CE LYS A 32 7.571 4.767 9.360 1.00 0.00 C ATOM 448 NZ LYS A 32 8.580 5.555 8.600 1.00 0.00 N ATOM 0 H LYS A 32 6.433 1.079 4.285 1.00 0.00 H new ATOM 0 HA LYS A 32 7.570 0.423 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.471 2.570 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.505 1.612 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.821 2.351 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.829 3.275 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.196 4.815 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.710 3.753 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.044 5.424 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.078 4.012 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.245 5.999 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.101 4.924 7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.099 6.292 8.046 1.00 0.00 H new ATOM 462 N PRO A 33 6.098 -1.548 6.477 1.00 0.00 N ATOM 463 CA PRO A 33 5.220 -2.721 6.423 1.00 0.00 C ATOM 464 C PRO A 33 4.229 -2.757 7.581 1.00 0.00 C ATOM 465 O PRO A 33 4.620 -2.692 8.747 1.00 0.00 O ATOM 466 CB PRO A 33 6.194 -3.898 6.515 1.00 0.00 C ATOM 467 CG PRO A 33 7.386 -3.349 7.221 1.00 0.00 C ATOM 468 CD PRO A 33 7.488 -1.908 6.802 1.00 0.00 C ATOM 0 HA PRO A 33 4.605 -2.729 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.757 -4.731 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.457 -4.272 5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.273 -3.434 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.287 -3.899 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.888 -1.284 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.146 -1.785 5.942 1.00 0.00 H new ATOM 476 N VAL A 34 2.946 -2.862 7.253 1.00 0.00 N ATOM 477 CA VAL A 34 1.899 -2.909 8.267 1.00 0.00 C ATOM 478 C VAL A 34 0.845 -3.955 7.921 1.00 0.00 C ATOM 479 O VAL A 34 -0.006 -3.733 7.058 1.00 0.00 O ATOM 480 CB VAL A 34 1.213 -1.539 8.430 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.149 -1.600 9.515 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.242 -0.463 8.740 1.00 0.00 C ATOM 0 H VAL A 34 2.606 -2.916 6.293 1.00 0.00 H new ATOM 0 HA VAL A 34 2.381 -3.180 9.207 1.00 0.00 H new ATOM 0 HB VAL A 34 0.724 -1.282 7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.324 -0.623 9.616 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.603 -2.342 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.611 -1.879 10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.741 0.498 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.761 -0.712 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.963 -0.403 7.925 1.00 0.00 H new ATOM 492 N THR A 35 0.906 -5.096 8.600 1.00 0.00 N ATOM 493 CA THR A 35 -0.043 -6.177 8.364 1.00 0.00 C ATOM 494 C THR A 35 -1.450 -5.777 8.793 1.00 0.00 C ATOM 495 O THR A 35 -1.699 -5.517 9.970 1.00 0.00 O ATOM 496 CB THR A 35 0.367 -7.458 9.116 1.00 0.00 C ATOM 497 OG1 THR A 35 1.763 -7.713 8.925 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.443 -8.651 8.633 1.00 0.00 C ATOM 0 H THR A 35 1.603 -5.295 9.318 1.00 0.00 H new ATOM 0 HA THR A 35 -0.036 -6.376 7.292 1.00 0.00 H new ATOM 0 HB THR A 35 0.168 -7.310 10.177 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.029 -7.421 8.028 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.136 -9.544 9.178 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.503 -8.466 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.271 -8.800 7.567 1.00 0.00 H new ATOM 506 N ILE A 36 -2.366 -5.731 7.831 1.00 0.00 N ATOM 507 CA ILE A 36 -3.748 -5.365 8.111 1.00 0.00 C ATOM 508 C ILE A 36 -4.596 -6.599 8.403 1.00 0.00 C ATOM 509 O ILE A 36 -4.237 -7.714 8.026 1.00 0.00 O ATOM 510 CB ILE A 36 -4.375 -4.592 6.935 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.622 -4.896 5.638 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.368 -3.098 7.220 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.194 -4.190 4.428 1.00 0.00 C ATOM 0 H ILE A 36 -2.175 -5.943 6.852 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.732 -4.722 8.991 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.409 -4.915 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.578 -4.607 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.637 -5.972 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.814 -2.565 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.943 -2.897 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.342 -2.759 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.611 -4.451 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.230 -4.497 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.154 -3.112 4.583 1.00 0.00 H new ATOM 525 N ASP A 37 -5.723 -6.390 9.074 1.00 0.00 N ATOM 526 CA ASP A 37 -6.624 -7.485 9.414 1.00 0.00 C ATOM 527 C ASP A 37 -6.966 -8.311 8.178 1.00 0.00 C ATOM 528 O ASP A 37 -7.456 -9.436 8.287 1.00 0.00 O ATOM 529 CB ASP A 37 -7.905 -6.941 10.049 1.00 0.00 C ATOM 530 CG ASP A 37 -7.631 -6.124 11.296 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.626 -5.382 11.311 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.422 -6.225 12.257 1.00 0.00 O ATOM 0 H ASP A 37 -6.035 -5.473 9.393 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.117 -8.130 10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.433 -6.324 9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.564 -7.772 10.300 1.00 0.00 H new ATOM 537 N CYS A 38 -6.704 -7.746 7.004 1.00 0.00 N ATOM 538 CA CYS A 38 -6.985 -8.429 5.747 1.00 0.00 C ATOM 539 C CYS A 38 -6.011 -9.584 5.526 1.00 0.00 C ATOM 540 O CYS A 38 -6.359 -10.596 4.920 1.00 0.00 O ATOM 541 CB CYS A 38 -6.901 -7.446 4.579 1.00 0.00 C ATOM 542 SG CYS A 38 -5.240 -7.306 3.842 1.00 0.00 S ATOM 0 H CYS A 38 -6.297 -6.817 6.897 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.996 -8.834 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.605 -7.756 3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.218 -6.462 4.923 1.00 0.00 H new ATOM 547 N GLY A 39 -4.789 -9.423 6.024 1.00 0.00 N ATOM 548 CA GLY A 39 -3.783 -10.458 5.870 1.00 0.00 C ATOM 549 C GLY A 39 -2.524 -9.949 5.198 1.00 0.00 C ATOM 550 O GLY A 39 -1.417 -10.162 5.693 1.00 0.00 O ATOM 0 H GLY A 39 -4.478 -8.595 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.530 -10.862 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.197 -11.278 5.284 1.00 0.00 H new ATOM 554 N HIS A 40 -2.692 -9.275 4.064 1.00 0.00 N ATOM 555 CA HIS A 40 -1.558 -8.735 3.321 1.00 0.00 C ATOM 556 C HIS A 40 -1.045 -7.453 3.970 1.00 0.00 C ATOM 557 O HIS A 40 -1.632 -6.953 4.929 1.00 0.00 O ATOM 558 CB HIS A 40 -1.956 -8.463 1.870 1.00 0.00 C ATOM 559 CG HIS A 40 -2.821 -9.531 1.275 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.178 -9.381 1.084 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.514 -10.770 0.826 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.669 -10.483 0.545 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.679 -11.341 0.378 1.00 0.00 N ATOM 0 H HIS A 40 -3.601 -9.090 3.640 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.758 -9.475 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.483 -7.510 1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.053 -8.361 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.535 -11.225 0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.703 -10.653 0.285 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.766 -12.276 -0.019 1.00 0.00 H new ATOM 571 N ASN A 41 0.054 -6.927 3.440 1.00 0.00 N ATOM 572 CA ASN A 41 0.647 -5.704 3.969 1.00 0.00 C ATOM 573 C ASN A 41 0.532 -4.564 2.961 1.00 0.00 C ATOM 574 O ASN A 41 0.187 -4.780 1.800 1.00 0.00 O ATOM 575 CB ASN A 41 2.117 -5.937 4.325 1.00 0.00 C ATOM 576 CG ASN A 41 2.306 -7.126 5.247 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.784 -7.150 6.362 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.056 -8.120 4.785 1.00 0.00 N ATOM 0 H ASN A 41 0.552 -7.328 2.645 1.00 0.00 H new ATOM 0 HA ASN A 41 0.101 -5.426 4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.689 -6.095 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.519 -5.043 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.219 -8.946 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.469 -8.057 3.854 1.00 0.00 H new ATOM 585 N PHE A 42 0.823 -3.349 3.415 1.00 0.00 N ATOM 586 CA PHE A 42 0.752 -2.174 2.554 1.00 0.00 C ATOM 587 C PHE A 42 1.675 -1.071 3.062 1.00 0.00 C ATOM 588 O PHE A 42 2.138 -1.108 4.203 1.00 0.00 O ATOM 589 CB PHE A 42 -0.686 -1.657 2.479 1.00 0.00 C ATOM 590 CG PHE A 42 -1.594 -2.528 1.659 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.097 -3.710 2.178 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.946 -2.164 0.369 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.932 -4.513 1.425 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.781 -2.963 -0.389 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.276 -4.139 0.140 1.00 0.00 C ATOM 0 H PHE A 42 1.110 -3.153 4.374 1.00 0.00 H new ATOM 0 HA PHE A 42 1.079 -2.466 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.088 -1.576 3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.681 -0.652 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.833 -4.007 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.563 -1.245 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.316 -5.433 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.046 -2.668 -1.394 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.930 -4.765 -0.449 1.00 0.00 H new ATOM 605 N CYS A 43 1.940 -0.089 2.207 1.00 0.00 N ATOM 606 CA CYS A 43 2.808 1.026 2.566 1.00 0.00 C ATOM 607 C CYS A 43 2.025 2.111 3.300 1.00 0.00 C ATOM 608 O CYS A 43 0.932 2.493 2.882 1.00 0.00 O ATOM 609 CB CYS A 43 3.464 1.613 1.315 1.00 0.00 C ATOM 610 SG CYS A 43 2.512 2.956 0.537 1.00 0.00 S ATOM 0 H CYS A 43 1.565 -0.043 1.259 1.00 0.00 H new ATOM 0 HA CYS A 43 3.584 0.649 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.453 1.988 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.610 0.816 0.586 1.00 0.00 H new ATOM 615 N LEU A 44 2.593 2.603 4.396 1.00 0.00 N ATOM 616 CA LEU A 44 1.949 3.645 5.188 1.00 0.00 C ATOM 617 C LEU A 44 1.431 4.767 4.295 1.00 0.00 C ATOM 618 O LEU A 44 0.293 5.216 4.439 1.00 0.00 O ATOM 619 CB LEU A 44 2.930 4.209 6.218 1.00 0.00 C ATOM 620 CG LEU A 44 2.308 4.964 7.393 1.00 0.00 C ATOM 621 CD1 LEU A 44 3.253 4.968 8.585 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.955 6.387 6.986 1.00 0.00 C ATOM 0 H LEU A 44 3.497 2.297 4.756 1.00 0.00 H new ATOM 0 HA LEU A 44 1.101 3.200 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.523 3.385 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.619 4.880 5.705 1.00 0.00 H new ATOM 0 HG LEU A 44 1.391 4.452 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.794 5.510 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.456 3.942 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.188 5.455 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.513 6.909 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.858 6.909 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.241 6.363 6.163 1.00 0.00 H new ATOM 634 N LYS A 45 2.272 5.216 3.370 1.00 0.00 N ATOM 635 CA LYS A 45 1.899 6.284 2.449 1.00 0.00 C ATOM 636 C LYS A 45 0.547 5.998 1.803 1.00 0.00 C ATOM 637 O LYS A 45 -0.186 6.918 1.440 1.00 0.00 O ATOM 638 CB LYS A 45 2.968 6.449 1.367 1.00 0.00 C ATOM 639 CG LYS A 45 4.143 7.309 1.799 1.00 0.00 C ATOM 640 CD LYS A 45 5.265 7.275 0.774 1.00 0.00 C ATOM 641 CE LYS A 45 4.955 8.163 -0.421 1.00 0.00 C ATOM 642 NZ LYS A 45 4.093 7.470 -1.418 1.00 0.00 N ATOM 0 H LYS A 45 3.217 4.857 3.238 1.00 0.00 H new ATOM 0 HA LYS A 45 1.821 7.210 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.336 5.464 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.511 6.891 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.810 8.337 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.517 6.959 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.195 7.601 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.420 6.250 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.458 9.071 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.886 8.470 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.456 7.650 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.100 6.447 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.120 7.828 -1.344 1.00 0.00 H new ATOM 656 N CYS A 46 0.222 4.717 1.664 1.00 0.00 N ATOM 657 CA CYS A 46 -1.043 4.309 1.064 1.00 0.00 C ATOM 658 C CYS A 46 -2.096 4.050 2.137 1.00 0.00 C ATOM 659 O CYS A 46 -3.265 4.397 1.970 1.00 0.00 O ATOM 660 CB CYS A 46 -0.845 3.053 0.213 1.00 0.00 C ATOM 661 SG CYS A 46 -0.450 3.392 -1.533 1.00 0.00 S ATOM 0 H CYS A 46 0.817 3.943 1.959 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.393 5.121 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.043 2.456 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.752 2.450 0.259 1.00 0.00 H new ATOM 666 N ILE A 47 -1.673 3.437 3.238 1.00 0.00 N ATOM 667 CA ILE A 47 -2.579 3.132 4.338 1.00 0.00 C ATOM 668 C ILE A 47 -3.083 4.408 5.004 1.00 0.00 C ATOM 669 O ILE A 47 -4.148 4.420 5.623 1.00 0.00 O ATOM 670 CB ILE A 47 -1.898 2.247 5.399 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.405 0.944 4.767 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.859 1.958 6.542 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.463 0.161 5.655 1.00 0.00 C ATOM 0 H ILE A 47 -0.709 3.142 3.391 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.423 2.590 3.911 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.037 2.782 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.265 0.320 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.901 1.173 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.364 1.332 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.166 2.896 7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.737 1.439 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.154 -0.750 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.415 0.767 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.970 -0.099 6.584 1.00 0.00 H new ATOM 685 N THR A 48 -2.312 5.483 4.871 1.00 0.00 N ATOM 686 CA THR A 48 -2.681 6.765 5.459 1.00 0.00 C ATOM 687 C THR A 48 -3.766 7.454 4.640 1.00 0.00 C ATOM 688 O THR A 48 -4.610 8.165 5.185 1.00 0.00 O ATOM 689 CB THR A 48 -1.464 7.702 5.570 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.871 8.974 6.087 1.00 0.00 O ATOM 691 CG2 THR A 48 -0.799 7.890 4.214 1.00 0.00 C ATOM 0 H THR A 48 -1.428 5.491 4.361 1.00 0.00 H new ATOM 0 HA THR A 48 -3.062 6.556 6.459 1.00 0.00 H new ATOM 0 HB THR A 48 -0.744 7.247 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.091 9.564 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.058 8.556 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.464 6.924 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.514 8.325 3.515 1.00 0.00 H new ATOM 699 N GLN A 49 -3.738 7.238 3.329 1.00 0.00 N ATOM 700 CA GLN A 49 -4.720 7.840 2.435 1.00 0.00 C ATOM 701 C GLN A 49 -5.992 7.000 2.380 1.00 0.00 C ATOM 702 O GLN A 49 -7.091 7.531 2.217 1.00 0.00 O ATOM 703 CB GLN A 49 -4.136 7.993 1.030 1.00 0.00 C ATOM 704 CG GLN A 49 -4.011 6.680 0.275 1.00 0.00 C ATOM 705 CD GLN A 49 -3.848 6.878 -1.219 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.002 7.653 -1.665 1.00 0.00 O ATOM 707 NE2 GLN A 49 -4.658 6.175 -2.002 1.00 0.00 N ATOM 0 H GLN A 49 -3.046 6.651 2.863 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.973 8.826 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.765 8.673 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.152 8.455 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.155 6.125 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.896 6.072 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.345 5.544 -1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.593 6.266 -3.016 1.00 0.00 H new ATOM 716 N ILE A 50 -5.835 5.688 2.517 1.00 0.00 N ATOM 717 CA ILE A 50 -6.971 4.775 2.483 1.00 0.00 C ATOM 718 C ILE A 50 -7.738 4.803 3.801 1.00 0.00 C ATOM 719 O ILE A 50 -8.966 4.740 3.818 1.00 0.00 O ATOM 720 CB ILE A 50 -6.525 3.330 2.193 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.808 3.256 0.843 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.722 2.391 2.215 1.00 0.00 C ATOM 723 CD1 ILE A 50 -4.959 2.015 0.677 1.00 0.00 C ATOM 0 H ILE A 50 -4.932 5.233 2.653 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.623 5.113 1.678 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.829 3.017 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.549 3.289 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.176 4.137 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.390 1.374 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.194 2.426 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.441 2.700 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.481 2.030 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.195 1.991 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.589 1.129 0.760 1.00 0.00 H new ATOM 735 N GLY A 51 -7.003 4.901 4.905 1.00 0.00 N ATOM 736 CA GLY A 51 -7.630 4.937 6.213 1.00 0.00 C ATOM 737 C GLY A 51 -8.440 6.200 6.432 1.00 0.00 C ATOM 738 O GLY A 51 -9.526 6.156 7.010 1.00 0.00 O ATOM 0 H GLY A 51 -5.985 4.956 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.279 4.069 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.862 4.863 6.983 1.00 0.00 H new ATOM 742 N GLU A 52 -7.910 7.329 5.972 1.00 0.00 N ATOM 743 CA GLU A 52 -8.591 8.609 6.124 1.00 0.00 C ATOM 744 C GLU A 52 -9.877 8.642 5.304 1.00 0.00 C ATOM 745 O GLU A 52 -10.859 9.275 5.692 1.00 0.00 O ATOM 746 CB GLU A 52 -7.671 9.755 5.696 1.00 0.00 C ATOM 747 CG GLU A 52 -7.212 9.660 4.250 1.00 0.00 C ATOM 748 CD GLU A 52 -6.637 10.964 3.733 1.00 0.00 C ATOM 749 OE1 GLU A 52 -6.075 11.727 4.547 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.749 11.222 2.517 1.00 0.00 O ATOM 0 H GLU A 52 -7.012 7.383 5.491 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.848 8.732 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.192 10.701 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.796 9.769 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.460 8.876 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.054 9.365 3.624 1.00 0.00 H new ATOM 757 N THR A 53 -9.865 7.956 4.165 1.00 0.00 N ATOM 758 CA THR A 53 -11.028 7.907 3.289 1.00 0.00 C ATOM 759 C THR A 53 -12.090 6.961 3.838 1.00 0.00 C ATOM 760 O THR A 53 -13.287 7.238 3.749 1.00 0.00 O ATOM 761 CB THR A 53 -10.642 7.458 1.867 1.00 0.00 C ATOM 762 OG1 THR A 53 -9.868 6.255 1.927 1.00 0.00 O ATOM 763 CG2 THR A 53 -9.850 8.542 1.153 1.00 0.00 C ATOM 0 H THR A 53 -9.061 7.426 3.828 1.00 0.00 H new ATOM 0 HA THR A 53 -11.433 8.918 3.245 1.00 0.00 H new ATOM 0 HB THR A 53 -11.559 7.272 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.805 5.953 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.589 8.202 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.453 9.447 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.939 8.755 1.712 1.00 0.00 H new ATOM 771 N SER A 54 -11.646 5.844 4.405 1.00 0.00 N ATOM 772 CA SER A 54 -12.559 4.856 4.966 1.00 0.00 C ATOM 773 C SER A 54 -12.018 4.299 6.279 1.00 0.00 C ATOM 774 O SER A 54 -11.115 3.461 6.285 1.00 0.00 O ATOM 775 CB SER A 54 -12.785 3.717 3.970 1.00 0.00 C ATOM 776 OG SER A 54 -13.563 2.682 4.547 1.00 0.00 O ATOM 0 H SER A 54 -10.659 5.601 4.488 1.00 0.00 H new ATOM 0 HA SER A 54 -13.510 5.349 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.286 4.101 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.824 3.317 3.646 1.00 0.00 H new ATOM 0 HG SER A 54 -12.992 1.906 4.728 1.00 0.00 H new ATOM 782 N CYS A 55 -12.575 4.770 7.389 1.00 0.00 N ATOM 783 CA CYS A 55 -12.148 4.321 8.709 1.00 0.00 C ATOM 784 C CYS A 55 -12.884 3.047 9.114 1.00 0.00 C ATOM 785 O CYS A 55 -12.268 2.073 9.544 1.00 0.00 O ATOM 786 CB CYS A 55 -12.392 5.417 9.747 1.00 0.00 C ATOM 787 SG CYS A 55 -11.121 6.703 9.776 1.00 0.00 S ATOM 0 H CYS A 55 -13.323 5.463 7.401 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.081 4.104 8.664 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.358 5.881 9.549 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.454 4.960 10.735 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.384 6.609 8.709 1.00 0.00 H new ATOM 793 N GLY A 56 -14.206 3.064 8.975 1.00 0.00 N ATOM 794 CA GLY A 56 -15.004 1.905 9.332 1.00 0.00 C ATOM 795 C GLY A 56 -14.307 0.599 9.007 1.00 0.00 C ATOM 796 O GLY A 56 -14.045 -0.211 9.897 1.00 0.00 O ATOM 0 H GLY A 56 -14.739 3.859 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.230 1.937 10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.956 1.946 8.803 1.00 0.00 H new ATOM 800 N PHE A 57 -14.008 0.391 7.729 1.00 0.00 N ATOM 801 CA PHE A 57 -13.340 -0.828 7.289 1.00 0.00 C ATOM 802 C PHE A 57 -12.345 -0.529 6.171 1.00 0.00 C ATOM 803 O PHE A 57 -12.613 0.284 5.287 1.00 0.00 O ATOM 804 CB PHE A 57 -14.369 -1.854 6.810 1.00 0.00 C ATOM 805 CG PHE A 57 -13.794 -2.896 5.893 1.00 0.00 C ATOM 806 CD1 PHE A 57 -13.010 -3.922 6.395 1.00 0.00 C ATOM 807 CD2 PHE A 57 -14.039 -2.850 4.531 1.00 0.00 C ATOM 808 CE1 PHE A 57 -12.479 -4.882 5.554 1.00 0.00 C ATOM 809 CE2 PHE A 57 -13.512 -3.808 3.685 1.00 0.00 C ATOM 810 CZ PHE A 57 -12.731 -4.825 4.197 1.00 0.00 C ATOM 0 H PHE A 57 -14.218 1.051 6.980 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.794 -1.240 8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.809 -2.347 7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -15.177 -1.334 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.811 -3.972 7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.649 -2.057 4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.868 -5.676 5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.711 -3.761 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.318 -5.574 3.538 1.00 0.00 H new ATOM 820 N PHE A 58 -11.194 -1.192 6.219 1.00 0.00 N ATOM 821 CA PHE A 58 -10.157 -0.998 5.213 1.00 0.00 C ATOM 822 C PHE A 58 -10.311 -1.999 4.072 1.00 0.00 C ATOM 823 O PHE A 58 -10.275 -3.211 4.285 1.00 0.00 O ATOM 824 CB PHE A 58 -8.770 -1.137 5.845 1.00 0.00 C ATOM 825 CG PHE A 58 -7.651 -1.121 4.844 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.338 -2.258 4.116 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.910 0.031 4.631 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.309 -2.247 3.194 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.880 0.048 3.710 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.578 -1.092 2.991 1.00 0.00 C ATOM 0 H PHE A 58 -10.956 -1.869 6.944 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.264 0.008 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.621 -0.326 6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.728 -2.068 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.905 -3.164 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.140 0.925 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.076 -3.140 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.311 0.952 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.772 -1.081 2.272 1.00 0.00 H new ATOM 840 N LYS A 59 -10.484 -1.484 2.860 1.00 0.00 N ATOM 841 CA LYS A 59 -10.644 -2.330 1.684 1.00 0.00 C ATOM 842 C LYS A 59 -9.287 -2.715 1.102 1.00 0.00 C ATOM 843 O LYS A 59 -8.386 -1.882 0.998 1.00 0.00 O ATOM 844 CB LYS A 59 -11.481 -1.612 0.623 1.00 0.00 C ATOM 845 CG LYS A 59 -12.181 -2.555 -0.341 1.00 0.00 C ATOM 846 CD LYS A 59 -12.910 -1.794 -1.435 1.00 0.00 C ATOM 847 CE LYS A 59 -13.150 -2.667 -2.657 1.00 0.00 C ATOM 848 NZ LYS A 59 -13.913 -1.946 -3.713 1.00 0.00 N ATOM 0 H LYS A 59 -10.517 -0.483 2.666 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.160 -3.240 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.228 -0.993 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.836 -0.940 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.449 -3.227 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.890 -3.176 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.864 -1.431 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.327 -0.918 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.193 -2.996 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.697 -3.563 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.056 -2.575 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.837 -1.654 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.380 -1.105 -4.013 1.00 0.00 H new ATOM 862 N CYS A 60 -9.148 -3.980 0.722 1.00 0.00 N ATOM 863 CA CYS A 60 -7.902 -4.476 0.150 1.00 0.00 C ATOM 864 C CYS A 60 -8.127 -5.010 -1.262 1.00 0.00 C ATOM 865 O CYS A 60 -9.022 -5.817 -1.512 1.00 0.00 O ATOM 866 CB CYS A 60 -7.311 -5.574 1.035 1.00 0.00 C ATOM 867 SG CYS A 60 -5.817 -6.358 0.349 1.00 0.00 S ATOM 0 H CYS A 60 -9.884 -4.682 0.800 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.199 -3.645 0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.071 -5.150 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.068 -6.341 1.199 1.00 0.00 H new ATOM 872 N PRO A 61 -7.295 -4.550 -2.208 1.00 0.00 N ATOM 873 CA PRO A 61 -7.382 -4.968 -3.610 1.00 0.00 C ATOM 874 C PRO A 61 -6.961 -6.420 -3.809 1.00 0.00 C ATOM 875 O PRO A 61 -7.506 -7.124 -4.660 1.00 0.00 O ATOM 876 CB PRO A 61 -6.406 -4.027 -4.322 1.00 0.00 C ATOM 877 CG PRO A 61 -5.431 -3.626 -3.270 1.00 0.00 C ATOM 878 CD PRO A 61 -6.205 -3.586 -1.981 1.00 0.00 C ATOM 0 HA PRO A 61 -8.403 -4.913 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.909 -4.527 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.922 -3.160 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.608 -4.338 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.994 -2.653 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.586 -3.873 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.589 -2.587 -1.773 1.00 0.00 H new ATOM 886 N LEU A 62 -5.990 -6.864 -3.018 1.00 0.00 N ATOM 887 CA LEU A 62 -5.497 -8.234 -3.107 1.00 0.00 C ATOM 888 C LEU A 62 -6.549 -9.224 -2.619 1.00 0.00 C ATOM 889 O LEU A 62 -6.757 -10.275 -3.226 1.00 0.00 O ATOM 890 CB LEU A 62 -4.215 -8.389 -2.287 1.00 0.00 C ATOM 891 CG LEU A 62 -3.118 -7.357 -2.555 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.957 -7.551 -1.591 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.639 -7.450 -3.996 1.00 0.00 C ATOM 0 H LEU A 62 -5.529 -6.295 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.280 -8.449 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.476 -8.346 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.806 -9.382 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.534 -6.362 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.186 -6.808 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.311 -7.433 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.541 -8.550 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.859 -6.709 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.240 -8.447 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.475 -7.261 -4.670 1.00 0.00 H new ATOM 905 N CYS A 63 -7.212 -8.881 -1.519 1.00 0.00 N ATOM 906 CA CYS A 63 -8.245 -9.738 -0.949 1.00 0.00 C ATOM 907 C CYS A 63 -9.406 -9.911 -1.924 1.00 0.00 C ATOM 908 O CYS A 63 -10.225 -10.818 -1.774 1.00 0.00 O ATOM 909 CB CYS A 63 -8.754 -9.151 0.369 1.00 0.00 C ATOM 910 SG CYS A 63 -7.644 -9.433 1.786 1.00 0.00 S ATOM 0 H CYS A 63 -7.052 -8.015 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.806 -10.717 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.901 -8.078 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.730 -9.582 0.594 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.484 2.261 -1.460 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.640 -8.248 1.726 1.00 0.00 ZN