USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 552 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 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=-0.00535 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.313 (180deg=-1.29) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 28:sc= 0.359 USER MOD Single : A 21 GLN : amide:sc= -0.0936 K(o=-0.094,f=-1.8!) USER MOD Single : A 22 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.47) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 30:sc= 0.922 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.03 F(o=-4.1!,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00587 USER MOD Single : A 43 ASN : amide:sc= -5.7! C(o=-5.7!,f=-6.3!) USER MOD Single : A 44 THR OG1 : rot 40:sc= 0.64 USER MOD Single : A 49 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.3!) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.466 F(o=-1.2,f=-0.47) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.08 F(o=-3.5!,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.75) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.144 (180deg=-0.943) USER MOD Single : A 71 SER OG : rot 120:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.904 -55.390 29.884 1.00 0.00 N ATOM 2 CA GLY A 1 5.490 -54.367 28.942 1.00 0.00 C ATOM 3 C GLY A 1 4.620 -54.920 27.830 1.00 0.00 C ATOM 4 O GLY A 1 4.918 -55.973 27.266 1.00 0.00 O ATOM 0 H1 GLY A 1 6.496 -54.961 30.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.064 -55.821 30.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.449 -56.121 29.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.943 -53.588 29.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.373 -53.898 28.509 1.00 0.00 H new ATOM 8 N SER A 2 3.542 -54.210 27.515 1.00 0.00 N ATOM 9 CA SER A 2 2.623 -54.639 26.467 1.00 0.00 C ATOM 10 C SER A 2 1.874 -53.446 25.880 1.00 0.00 C ATOM 11 O SER A 2 1.333 -52.617 26.611 1.00 0.00 O ATOM 12 CB SER A 2 1.626 -55.659 27.020 1.00 0.00 C ATOM 13 OG SER A 2 0.724 -55.051 27.928 1.00 0.00 O ATOM 0 H SER A 2 3.283 -53.335 27.970 1.00 0.00 H new ATOM 0 HA SER A 2 3.207 -55.106 25.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.070 -56.111 26.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.164 -56.463 27.521 1.00 0.00 H new ATOM 0 HG SER A 2 0.096 -55.724 28.266 1.00 0.00 H new ATOM 19 N SER A 3 1.849 -53.367 24.553 1.00 0.00 N ATOM 20 CA SER A 3 1.171 -52.275 23.865 1.00 0.00 C ATOM 21 C SER A 3 0.714 -52.708 22.476 1.00 0.00 C ATOM 22 O SER A 3 1.103 -53.767 21.984 1.00 0.00 O ATOM 23 CB SER A 3 2.095 -51.061 23.756 1.00 0.00 C ATOM 24 OG SER A 3 1.369 -49.896 23.404 1.00 0.00 O ATOM 0 H SER A 3 2.291 -54.046 23.933 1.00 0.00 H new ATOM 0 HA SER A 3 0.292 -52.002 24.448 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.605 -50.902 24.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.865 -51.253 23.009 1.00 0.00 H new ATOM 0 HG SER A 3 1.983 -49.134 23.343 1.00 0.00 H new ATOM 30 N GLY A 4 -0.114 -51.880 21.846 1.00 0.00 N ATOM 31 CA GLY A 4 -0.611 -52.193 20.519 1.00 0.00 C ATOM 32 C GLY A 4 -1.927 -51.506 20.216 1.00 0.00 C ATOM 33 O GLY A 4 -2.924 -52.163 19.919 1.00 0.00 O ATOM 0 H GLY A 4 -0.450 -50.997 22.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.130 -51.895 19.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.738 -53.272 20.427 1.00 0.00 H new ATOM 37 N SER A 5 -1.931 -50.179 20.291 1.00 0.00 N ATOM 38 CA SER A 5 -3.137 -49.402 20.027 1.00 0.00 C ATOM 39 C SER A 5 -3.111 -48.821 18.617 1.00 0.00 C ATOM 40 O SER A 5 -2.044 -48.565 18.059 1.00 0.00 O ATOM 41 CB SER A 5 -3.277 -48.275 21.053 1.00 0.00 C ATOM 42 OG SER A 5 -4.476 -47.547 20.849 1.00 0.00 O ATOM 0 H SER A 5 -1.113 -49.619 20.532 1.00 0.00 H new ATOM 0 HA SER A 5 -3.995 -50.069 20.110 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.268 -48.692 22.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.422 -47.603 20.979 1.00 0.00 H new ATOM 0 HG SER A 5 -4.543 -46.834 21.518 1.00 0.00 H new ATOM 48 N SER A 6 -4.294 -48.616 18.046 1.00 0.00 N ATOM 49 CA SER A 6 -4.408 -48.069 16.699 1.00 0.00 C ATOM 50 C SER A 6 -5.828 -47.581 16.430 1.00 0.00 C ATOM 51 O SER A 6 -6.760 -47.912 17.162 1.00 0.00 O ATOM 52 CB SER A 6 -4.014 -49.124 15.663 1.00 0.00 C ATOM 53 OG SER A 6 -4.831 -50.277 15.773 1.00 0.00 O ATOM 0 H SER A 6 -5.187 -48.820 18.495 1.00 0.00 H new ATOM 0 HA SER A 6 -3.729 -47.220 16.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.104 -48.705 14.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.969 -49.401 15.801 1.00 0.00 H new ATOM 0 HG SER A 6 -4.560 -50.935 15.099 1.00 0.00 H new ATOM 59 N GLY A 7 -5.985 -46.790 15.373 1.00 0.00 N ATOM 60 CA GLY A 7 -7.293 -46.267 15.025 1.00 0.00 C ATOM 61 C GLY A 7 -7.294 -44.759 14.873 1.00 0.00 C ATOM 62 O GLY A 7 -7.244 -44.028 15.864 1.00 0.00 O ATOM 0 H GLY A 7 -5.229 -46.502 14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.627 -46.723 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.011 -46.552 15.794 1.00 0.00 H new ATOM 66 N LEU A 8 -7.349 -44.291 13.631 1.00 0.00 N ATOM 67 CA LEU A 8 -7.354 -42.859 13.353 1.00 0.00 C ATOM 68 C LEU A 8 -7.822 -42.583 11.928 1.00 0.00 C ATOM 69 O LEU A 8 -7.761 -43.458 11.062 1.00 0.00 O ATOM 70 CB LEU A 8 -5.957 -42.273 13.566 1.00 0.00 C ATOM 71 CG LEU A 8 -4.947 -42.521 12.445 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.708 -41.663 12.644 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.574 -43.994 12.379 1.00 0.00 C ATOM 0 H LEU A 8 -7.391 -44.882 12.801 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.050 -42.382 14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.054 -41.197 13.709 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.551 -42.682 14.491 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.408 -42.242 11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.000 -41.853 11.837 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.990 -40.610 12.639 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.244 -41.910 13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.854 -44.151 11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.132 -44.300 13.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.468 -44.587 12.187 1.00 0.00 H new ATOM 85 N LEU A 9 -8.287 -41.362 11.689 1.00 0.00 N ATOM 86 CA LEU A 9 -8.763 -40.969 10.367 1.00 0.00 C ATOM 87 C LEU A 9 -9.074 -39.476 10.322 1.00 0.00 C ATOM 88 O LEU A 9 -9.540 -38.900 11.304 1.00 0.00 O ATOM 89 CB LEU A 9 -10.010 -41.773 9.993 1.00 0.00 C ATOM 90 CG LEU A 9 -11.303 -41.375 10.705 1.00 0.00 C ATOM 91 CD1 LEU A 9 -12.024 -40.282 9.931 1.00 0.00 C ATOM 92 CD2 LEU A 9 -12.206 -42.587 10.887 1.00 0.00 C ATOM 0 H LEU A 9 -8.345 -40.627 12.393 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.973 -41.179 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.168 -41.682 8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.815 -42.825 10.199 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.048 -40.986 11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.942 -40.012 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.380 -39.406 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.268 -40.644 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.122 -42.285 11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.454 -43.006 9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.690 -43.339 11.484 1.00 0.00 H new ATOM 104 N GLU A 10 -8.814 -38.858 9.174 1.00 0.00 N ATOM 105 CA GLU A 10 -9.067 -37.432 9.001 1.00 0.00 C ATOM 106 C GLU A 10 -9.687 -37.152 7.636 1.00 0.00 C ATOM 107 O GLU A 10 -9.259 -37.706 6.623 1.00 0.00 O ATOM 108 CB GLU A 10 -7.769 -36.638 9.157 1.00 0.00 C ATOM 109 CG GLU A 10 -7.959 -35.134 9.057 1.00 0.00 C ATOM 110 CD GLU A 10 -6.658 -34.370 9.201 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.624 -34.861 8.701 1.00 0.00 O ATOM 112 OE2 GLU A 10 -6.672 -33.282 9.814 1.00 0.00 O ATOM 0 H GLU A 10 -8.429 -39.322 8.351 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.771 -37.118 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.322 -36.876 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.063 -36.958 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.413 -34.892 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.655 -34.807 9.830 1.00 0.00 H new ATOM 119 N ILE A 11 -10.697 -36.288 7.617 1.00 0.00 N ATOM 120 CA ILE A 11 -11.375 -35.933 6.376 1.00 0.00 C ATOM 121 C ILE A 11 -11.217 -34.448 6.068 1.00 0.00 C ATOM 122 O ILE A 11 -11.419 -33.598 6.935 1.00 0.00 O ATOM 123 CB ILE A 11 -12.875 -36.277 6.437 1.00 0.00 C ATOM 124 CG1 ILE A 11 -13.077 -37.674 7.026 1.00 0.00 C ATOM 125 CG2 ILE A 11 -13.496 -36.186 5.051 1.00 0.00 C ATOM 126 CD1 ILE A 11 -14.519 -37.984 7.365 1.00 0.00 C ATOM 0 H ILE A 11 -11.064 -35.821 8.447 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.908 -36.517 5.583 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.372 -35.555 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.712 -38.415 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.471 -37.771 7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.556 -36.432 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.379 -35.173 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.998 -36.888 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.587 -38.990 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.883 -37.265 8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.127 -37.920 6.462 1.00 0.00 H new ATOM 138 N LYS A 12 -10.855 -34.143 4.827 1.00 0.00 N ATOM 139 CA LYS A 12 -10.672 -32.760 4.401 1.00 0.00 C ATOM 140 C LYS A 12 -11.166 -32.561 2.972 1.00 0.00 C ATOM 141 O LYS A 12 -10.668 -33.191 2.039 1.00 0.00 O ATOM 142 CB LYS A 12 -9.197 -32.365 4.502 1.00 0.00 C ATOM 143 CG LYS A 12 -8.739 -32.081 5.922 1.00 0.00 C ATOM 144 CD LYS A 12 -7.332 -31.506 5.950 1.00 0.00 C ATOM 145 CE LYS A 12 -6.728 -31.580 7.343 1.00 0.00 C ATOM 146 NZ LYS A 12 -5.555 -30.674 7.488 1.00 0.00 N ATOM 0 H LYS A 12 -10.682 -34.835 4.098 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.259 -32.122 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.586 -33.166 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.024 -31.480 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.428 -31.381 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.769 -33.001 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.701 -32.052 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.355 -30.468 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.485 -31.315 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.423 -32.605 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.172 -30.754 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.822 -30.942 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.851 -29.692 7.313 1.00 0.00 H new ATOM 160 N ARG A 13 -12.148 -31.680 2.808 1.00 0.00 N ATOM 161 CA ARG A 13 -12.709 -31.398 1.492 1.00 0.00 C ATOM 162 C ARG A 13 -12.948 -29.902 1.312 1.00 0.00 C ATOM 163 O ARG A 13 -13.587 -29.259 2.146 1.00 0.00 O ATOM 164 CB ARG A 13 -14.021 -32.162 1.299 1.00 0.00 C ATOM 165 CG ARG A 13 -14.382 -32.392 -0.159 1.00 0.00 C ATOM 166 CD ARG A 13 -15.889 -32.437 -0.359 1.00 0.00 C ATOM 167 NE ARG A 13 -16.423 -33.786 -0.191 1.00 0.00 N ATOM 168 CZ ARG A 13 -17.709 -34.048 0.012 1.00 0.00 C ATOM 169 NH1 ARG A 13 -18.589 -33.057 0.071 1.00 0.00 N ATOM 170 NH2 ARG A 13 -18.118 -35.302 0.156 1.00 0.00 N ATOM 0 H ARG A 13 -12.571 -31.150 3.570 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.991 -31.727 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -13.948 -33.126 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.828 -31.610 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.956 -31.596 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.940 -33.328 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.369 -31.766 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.133 -32.072 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.772 -34.570 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -18.278 -32.092 -0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -19.576 -33.260 0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.444 -36.067 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.106 -35.501 0.312 1.00 0.00 H new ATOM 184 N LYS A 14 -12.430 -29.352 0.219 1.00 0.00 N ATOM 185 CA LYS A 14 -12.586 -27.932 -0.072 1.00 0.00 C ATOM 186 C LYS A 14 -13.999 -27.630 -0.563 1.00 0.00 C ATOM 187 O LYS A 14 -14.649 -26.703 -0.080 1.00 0.00 O ATOM 188 CB LYS A 14 -11.565 -27.490 -1.122 1.00 0.00 C ATOM 189 CG LYS A 14 -11.417 -25.982 -1.230 1.00 0.00 C ATOM 190 CD LYS A 14 -12.346 -25.405 -2.284 1.00 0.00 C ATOM 191 CE LYS A 14 -11.686 -25.379 -3.655 1.00 0.00 C ATOM 192 NZ LYS A 14 -11.771 -26.700 -4.336 1.00 0.00 N ATOM 0 H LYS A 14 -11.898 -29.869 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.413 -27.377 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.596 -27.925 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.859 -27.888 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.632 -25.524 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.385 -25.734 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.259 -25.998 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.637 -24.394 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.164 -24.620 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.640 -25.092 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.665 -26.569 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.013 -27.320 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.694 -27.135 -4.136 1.00 0.00 H new ATOM 206 N GLY A 15 -14.468 -28.419 -1.524 1.00 0.00 N ATOM 207 CA GLY A 15 -15.801 -28.220 -2.063 1.00 0.00 C ATOM 208 C GLY A 15 -15.852 -28.403 -3.566 1.00 0.00 C ATOM 209 O GLY A 15 -16.154 -29.490 -4.056 1.00 0.00 O ATOM 0 H GLY A 15 -13.949 -29.193 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.489 -28.922 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.146 -27.217 -1.810 1.00 0.00 H new ATOM 213 N ALA A 16 -15.557 -27.335 -4.301 1.00 0.00 N ATOM 214 CA ALA A 16 -15.570 -27.383 -5.758 1.00 0.00 C ATOM 215 C ALA A 16 -16.944 -27.786 -6.281 1.00 0.00 C ATOM 216 O ALA A 16 -17.058 -28.630 -7.171 1.00 0.00 O ATOM 217 CB ALA A 16 -14.507 -28.346 -6.264 1.00 0.00 C ATOM 0 H ALA A 16 -15.306 -26.426 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.346 -26.384 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.528 -28.372 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.525 -28.013 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.705 -29.344 -5.874 1.00 0.00 H new ATOM 223 N LYS A 17 -17.987 -27.179 -5.724 1.00 0.00 N ATOM 224 CA LYS A 17 -19.354 -27.474 -6.134 1.00 0.00 C ATOM 225 C LYS A 17 -19.692 -26.774 -7.446 1.00 0.00 C ATOM 226 O LYS A 17 -20.207 -27.393 -8.377 1.00 0.00 O ATOM 227 CB LYS A 17 -20.340 -27.044 -5.045 1.00 0.00 C ATOM 228 CG LYS A 17 -21.661 -27.791 -5.091 1.00 0.00 C ATOM 229 CD LYS A 17 -22.638 -27.138 -6.055 1.00 0.00 C ATOM 230 CE LYS A 17 -23.690 -28.124 -6.536 1.00 0.00 C ATOM 231 NZ LYS A 17 -24.797 -28.279 -5.552 1.00 0.00 N ATOM 0 H LYS A 17 -17.911 -26.479 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.436 -28.550 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -19.880 -27.197 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.533 -25.976 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -21.486 -28.824 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -22.098 -27.821 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -23.125 -26.295 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -22.094 -26.739 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -24.096 -27.785 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.224 -29.093 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -25.493 -28.960 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -24.414 -28.627 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -25.258 -27.359 -5.401 1.00 0.00 H new ATOM 245 N ARG A 18 -19.397 -25.479 -7.513 1.00 0.00 N ATOM 246 CA ARG A 18 -19.669 -24.695 -8.712 1.00 0.00 C ATOM 247 C ARG A 18 -18.764 -25.127 -9.862 1.00 0.00 C ATOM 248 O ARG A 18 -17.772 -25.825 -9.656 1.00 0.00 O ATOM 249 CB ARG A 18 -19.474 -23.205 -8.427 1.00 0.00 C ATOM 250 CG ARG A 18 -20.235 -22.298 -9.380 1.00 0.00 C ATOM 251 CD ARG A 18 -20.639 -20.995 -8.707 1.00 0.00 C ATOM 252 NE ARG A 18 -21.603 -20.243 -9.505 1.00 0.00 N ATOM 253 CZ ARG A 18 -22.365 -19.273 -9.014 1.00 0.00 C ATOM 254 NH1 ARG A 18 -22.276 -18.938 -7.734 1.00 0.00 N ATOM 255 NH2 ARG A 18 -23.220 -18.634 -9.803 1.00 0.00 N ATOM 0 H ARG A 18 -18.970 -24.951 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 18 -20.705 -24.870 -9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.793 -22.994 -7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.411 -22.969 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -19.616 -22.082 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.125 -22.813 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.068 -21.210 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -19.752 -20.384 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.696 -20.476 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -21.621 -19.426 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -22.863 -18.192 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -23.292 -18.888 -10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.805 -17.889 -9.424 1.00 0.00 H new ATOM 269 N GLY A 19 -19.114 -24.707 -11.074 1.00 0.00 N ATOM 270 CA GLY A 19 -18.323 -25.060 -12.238 1.00 0.00 C ATOM 271 C GLY A 19 -16.833 -25.001 -11.967 1.00 0.00 C ATOM 272 O GLY A 19 -16.082 -25.878 -12.395 1.00 0.00 O ATOM 0 H GLY A 19 -19.931 -24.129 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.590 -26.065 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.567 -24.384 -13.058 1.00 0.00 H new ATOM 276 N SER A 20 -16.403 -23.965 -11.255 1.00 0.00 N ATOM 277 CA SER A 20 -14.992 -23.792 -10.932 1.00 0.00 C ATOM 278 C SER A 20 -14.810 -22.756 -9.826 1.00 0.00 C ATOM 279 O SER A 20 -15.245 -21.612 -9.957 1.00 0.00 O ATOM 280 CB SER A 20 -14.210 -23.368 -12.177 1.00 0.00 C ATOM 281 OG SER A 20 -14.652 -22.108 -12.652 1.00 0.00 O ATOM 0 H SER A 20 -17.012 -23.232 -10.891 1.00 0.00 H new ATOM 0 HA SER A 20 -14.607 -24.748 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.146 -23.319 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.331 -24.118 -12.959 1.00 0.00 H new ATOM 0 HG SER A 20 -15.010 -21.584 -11.905 1.00 0.00 H new ATOM 287 N GLN A 21 -14.166 -23.167 -8.739 1.00 0.00 N ATOM 288 CA GLN A 21 -13.928 -22.276 -7.610 1.00 0.00 C ATOM 289 C GLN A 21 -12.495 -21.754 -7.621 1.00 0.00 C ATOM 290 O GLN A 21 -11.544 -22.518 -7.452 1.00 0.00 O ATOM 291 CB GLN A 21 -14.209 -23.000 -6.292 1.00 0.00 C ATOM 292 CG GLN A 21 -15.680 -23.017 -5.909 1.00 0.00 C ATOM 293 CD GLN A 21 -16.137 -21.710 -5.293 1.00 0.00 C ATOM 294 OE1 GLN A 21 -16.195 -20.680 -5.966 1.00 0.00 O ATOM 295 NE2 GLN A 21 -16.466 -21.744 -4.007 1.00 0.00 N ATOM 0 H GLN A 21 -13.800 -24.111 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.606 -21.427 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.850 -24.026 -6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -13.640 -22.521 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.280 -23.226 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.859 -23.829 -5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.403 -22.619 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.782 -20.895 -3.539 1.00 0.00 H new ATOM 304 N HIS A 22 -12.347 -20.448 -7.822 1.00 0.00 N ATOM 305 CA HIS A 22 -11.029 -19.824 -7.856 1.00 0.00 C ATOM 306 C HIS A 22 -10.542 -19.509 -6.445 1.00 0.00 C ATOM 307 O HIS A 22 -11.192 -18.773 -5.702 1.00 0.00 O ATOM 308 CB HIS A 22 -11.069 -18.545 -8.692 1.00 0.00 C ATOM 309 CG HIS A 22 -11.696 -17.384 -7.983 1.00 0.00 C ATOM 310 ND1 HIS A 22 -13.059 -17.177 -7.939 1.00 0.00 N ATOM 311 CD2 HIS A 22 -11.140 -16.367 -7.285 1.00 0.00 C ATOM 312 CE1 HIS A 22 -13.313 -16.081 -7.246 1.00 0.00 C ATOM 313 NE2 HIS A 22 -12.165 -15.571 -6.838 1.00 0.00 N ATOM 0 H HIS A 22 -13.123 -19.802 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.332 -20.526 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.052 -18.278 -8.981 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.621 -18.739 -9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.086 -16.211 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.293 -15.672 -7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.058 -14.723 -6.281 1.00 0.00 H new ATOM 321 N TYR A 23 -9.394 -20.070 -6.082 1.00 0.00 N ATOM 322 CA TYR A 23 -8.821 -19.852 -4.759 1.00 0.00 C ATOM 323 C TYR A 23 -7.867 -18.661 -4.769 1.00 0.00 C ATOM 324 O TYR A 23 -6.658 -18.821 -4.937 1.00 0.00 O ATOM 325 CB TYR A 23 -8.084 -21.106 -4.286 1.00 0.00 C ATOM 326 CG TYR A 23 -7.973 -21.211 -2.781 1.00 0.00 C ATOM 327 CD1 TYR A 23 -7.020 -20.481 -2.083 1.00 0.00 C ATOM 328 CD2 TYR A 23 -8.822 -22.041 -2.059 1.00 0.00 C ATOM 329 CE1 TYR A 23 -6.914 -20.575 -0.708 1.00 0.00 C ATOM 330 CE2 TYR A 23 -8.724 -22.140 -0.685 1.00 0.00 C ATOM 331 CZ TYR A 23 -7.769 -21.405 -0.014 1.00 0.00 C ATOM 332 OH TYR A 23 -7.668 -21.501 1.355 1.00 0.00 O ATOM 0 H TYR A 23 -8.842 -20.679 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.636 -19.636 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.602 -21.987 -4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.083 -21.114 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.350 -19.829 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.571 -22.618 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.166 -20.002 -0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.392 -22.790 -0.139 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.344 -22.127 1.690 1.00 0.00 H new ATOM 342 N SER A 24 -8.420 -17.466 -4.586 1.00 0.00 N ATOM 343 CA SER A 24 -7.621 -16.247 -4.576 1.00 0.00 C ATOM 344 C SER A 24 -8.376 -15.107 -3.900 1.00 0.00 C ATOM 345 O SER A 24 -9.604 -15.036 -3.965 1.00 0.00 O ATOM 346 CB SER A 24 -7.244 -15.848 -6.004 1.00 0.00 C ATOM 347 OG SER A 24 -6.098 -16.553 -6.446 1.00 0.00 O ATOM 0 H SER A 24 -9.419 -17.317 -4.443 1.00 0.00 H new ATOM 0 HA SER A 24 -6.711 -16.443 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.080 -16.050 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.054 -14.776 -6.047 1.00 0.00 H new ATOM 0 HG SER A 24 -6.066 -17.430 -6.011 1.00 0.00 H new ATOM 353 N ASP A 25 -7.634 -14.218 -3.250 1.00 0.00 N ATOM 354 CA ASP A 25 -8.232 -13.080 -2.562 1.00 0.00 C ATOM 355 C ASP A 25 -7.316 -11.862 -2.628 1.00 0.00 C ATOM 356 O ASP A 25 -6.170 -11.958 -3.066 1.00 0.00 O ATOM 357 CB ASP A 25 -8.524 -13.435 -1.103 1.00 0.00 C ATOM 358 CG ASP A 25 -9.681 -14.404 -0.963 1.00 0.00 C ATOM 359 OD1 ASP A 25 -9.472 -15.614 -1.190 1.00 0.00 O ATOM 360 OD2 ASP A 25 -10.797 -13.952 -0.628 1.00 0.00 O ATOM 0 H ASP A 25 -6.617 -14.263 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.169 -12.835 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.632 -13.871 -0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.748 -12.524 -0.548 1.00 0.00 H new ATOM 365 N ARG A 26 -7.830 -10.716 -2.192 1.00 0.00 N ATOM 366 CA ARG A 26 -7.060 -9.479 -2.204 1.00 0.00 C ATOM 367 C ARG A 26 -7.020 -8.849 -0.815 1.00 0.00 C ATOM 368 O ARG A 26 -7.961 -8.172 -0.400 1.00 0.00 O ATOM 369 CB ARG A 26 -7.658 -8.490 -3.207 1.00 0.00 C ATOM 370 CG ARG A 26 -7.859 -9.077 -4.594 1.00 0.00 C ATOM 371 CD ARG A 26 -6.532 -9.304 -5.301 1.00 0.00 C ATOM 372 NE ARG A 26 -6.699 -10.016 -6.565 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.721 -10.680 -7.170 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.511 -10.723 -6.628 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.951 -11.304 -8.318 1.00 0.00 N ATOM 0 H ARG A 26 -8.777 -10.619 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 26 -6.040 -9.719 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.617 -8.137 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.005 -7.621 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.397 -10.022 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.479 -8.405 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.052 -8.343 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.867 -9.872 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.618 -10.003 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.330 -10.246 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.761 -11.234 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.880 -11.274 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.199 -11.813 -8.781 1.00 0.00 H new ATOM 389 N THR A 27 -5.924 -9.078 -0.098 1.00 0.00 N ATOM 390 CA THR A 27 -5.761 -8.535 1.245 1.00 0.00 C ATOM 391 C THR A 27 -4.421 -7.823 1.392 1.00 0.00 C ATOM 392 O THR A 27 -3.408 -8.266 0.849 1.00 0.00 O ATOM 393 CB THR A 27 -5.863 -9.640 2.313 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.395 -10.883 1.778 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.297 -9.797 2.795 1.00 0.00 C ATOM 0 H THR A 27 -5.136 -9.636 -0.425 1.00 0.00 H new ATOM 0 HA THR A 27 -6.568 -7.818 1.396 1.00 0.00 H new ATOM 0 HB THR A 27 -5.241 -9.353 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.461 -11.580 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.344 -10.583 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.640 -8.858 3.229 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.937 -10.063 1.953 1.00 0.00 H new ATOM 403 N CYS A 28 -4.422 -6.718 2.129 1.00 0.00 N ATOM 404 CA CYS A 28 -3.206 -5.944 2.349 1.00 0.00 C ATOM 405 C CYS A 28 -2.050 -6.852 2.759 1.00 0.00 C ATOM 406 O CYS A 28 -2.260 -7.979 3.204 1.00 0.00 O ATOM 407 CB CYS A 28 -3.440 -4.881 3.423 1.00 0.00 C ATOM 408 SG CYS A 28 -2.129 -3.619 3.519 1.00 0.00 S ATOM 0 H CYS A 28 -5.252 -6.338 2.584 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.944 -5.452 1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.392 -4.387 3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.528 -5.372 4.392 1.00 0.00 H new ATOM 413 N ALA A 29 -0.828 -6.351 2.605 1.00 0.00 N ATOM 414 CA ALA A 29 0.361 -7.114 2.962 1.00 0.00 C ATOM 415 C ALA A 29 0.917 -6.667 4.309 1.00 0.00 C ATOM 416 O ALA A 29 1.871 -7.253 4.823 1.00 0.00 O ATOM 417 CB ALA A 29 1.421 -6.976 1.879 1.00 0.00 C ATOM 0 H ALA A 29 -0.636 -5.420 2.235 1.00 0.00 H new ATOM 0 HA ALA A 29 0.077 -8.163 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.304 -7.551 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.027 -7.352 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.692 -5.926 1.767 1.00 0.00 H new ATOM 423 N ARG A 30 0.315 -5.627 4.877 1.00 0.00 N ATOM 424 CA ARG A 30 0.752 -5.101 6.164 1.00 0.00 C ATOM 425 C ARG A 30 -0.372 -5.178 7.193 1.00 0.00 C ATOM 426 O ARG A 30 -0.136 -5.471 8.366 1.00 0.00 O ATOM 427 CB ARG A 30 1.223 -3.653 6.014 1.00 0.00 C ATOM 428 CG ARG A 30 2.161 -3.436 4.838 1.00 0.00 C ATOM 429 CD ARG A 30 3.610 -3.680 5.229 1.00 0.00 C ATOM 430 NE ARG A 30 3.998 -2.905 6.404 1.00 0.00 N ATOM 431 CZ ARG A 30 3.976 -3.386 7.642 1.00 0.00 C ATOM 432 NH1 ARG A 30 3.587 -4.634 7.865 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.344 -2.619 8.660 1.00 0.00 N ATOM 0 H ARG A 30 -0.477 -5.132 4.466 1.00 0.00 H new ATOM 0 HA ARG A 30 1.584 -5.712 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.353 -3.007 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.727 -3.347 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.885 -4.105 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.050 -2.418 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.757 -4.741 5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.260 -3.421 4.393 1.00 0.00 H new ATOM 0 HE ARG A 30 4.303 -1.941 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.304 -5.227 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.571 -5.001 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.644 -1.659 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.327 -2.990 9.610 1.00 0.00 H new ATOM 447 N CYS A 31 -1.595 -4.912 6.746 1.00 0.00 N ATOM 448 CA CYS A 31 -2.756 -4.950 7.627 1.00 0.00 C ATOM 449 C CYS A 31 -3.758 -6.003 7.161 1.00 0.00 C ATOM 450 O CYS A 31 -4.850 -6.121 7.715 1.00 0.00 O ATOM 451 CB CYS A 31 -3.429 -3.577 7.677 1.00 0.00 C ATOM 452 SG CYS A 31 -4.159 -3.049 6.094 1.00 0.00 S ATOM 0 H CYS A 31 -1.807 -4.668 5.779 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.414 -5.216 8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.210 -3.595 8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.695 -2.835 7.992 1.00 0.00 H new ATOM 457 N GLN A 32 -3.376 -6.765 6.141 1.00 0.00 N ATOM 458 CA GLN A 32 -4.240 -7.808 5.601 1.00 0.00 C ATOM 459 C GLN A 32 -5.708 -7.412 5.719 1.00 0.00 C ATOM 460 O GLN A 32 -6.517 -8.151 6.279 1.00 0.00 O ATOM 461 CB GLN A 32 -3.996 -9.130 6.330 1.00 0.00 C ATOM 462 CG GLN A 32 -3.547 -8.956 7.772 1.00 0.00 C ATOM 463 CD GLN A 32 -2.045 -8.798 7.901 1.00 0.00 C ATOM 464 OE1 GLN A 32 -1.391 -8.446 6.800 1.00 0.00 O flip ATOM 465 NE2 GLN A 32 -1.479 -8.990 8.977 1.00 0.00 N flip ATOM 0 H GLN A 32 -2.474 -6.680 5.672 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.000 -7.934 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.913 -9.720 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.240 -9.699 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.038 -8.081 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.869 -9.819 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.022 -9.259 9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.467 -8.880 9.048 1.00 0.00 H new ATOM 474 N GLU A 33 -6.045 -6.241 5.186 1.00 0.00 N ATOM 475 CA GLU A 33 -7.417 -5.748 5.233 1.00 0.00 C ATOM 476 C GLU A 33 -8.213 -6.240 4.028 1.00 0.00 C ATOM 477 O GLU A 33 -7.715 -7.021 3.218 1.00 0.00 O ATOM 478 CB GLU A 33 -7.431 -4.218 5.277 1.00 0.00 C ATOM 479 CG GLU A 33 -7.153 -3.568 3.932 1.00 0.00 C ATOM 480 CD GLU A 33 -7.715 -2.163 3.836 1.00 0.00 C ATOM 481 OE1 GLU A 33 -7.577 -1.400 4.815 1.00 0.00 O ATOM 482 OE2 GLU A 33 -8.292 -1.827 2.781 1.00 0.00 O ATOM 0 H GLU A 33 -5.388 -5.617 4.717 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.885 -6.135 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.403 -3.882 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.687 -3.877 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.077 -3.537 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.582 -4.182 3.140 1.00 0.00 H new ATOM 489 N SER A 34 -9.455 -5.778 3.919 1.00 0.00 N ATOM 490 CA SER A 34 -10.323 -6.174 2.816 1.00 0.00 C ATOM 491 C SER A 34 -10.224 -5.181 1.663 1.00 0.00 C ATOM 492 O SER A 34 -10.903 -4.153 1.652 1.00 0.00 O ATOM 493 CB SER A 34 -11.773 -6.277 3.293 1.00 0.00 C ATOM 494 OG SER A 34 -12.646 -6.562 2.213 1.00 0.00 O ATOM 0 H SER A 34 -9.882 -5.130 4.580 1.00 0.00 H new ATOM 0 HA SER A 34 -9.995 -7.150 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.856 -7.059 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.070 -5.342 3.768 1.00 0.00 H new ATOM 0 HG SER A 34 -13.566 -6.624 2.544 1.00 0.00 H new ATOM 500 N LEU A 35 -9.373 -5.494 0.692 1.00 0.00 N ATOM 501 CA LEU A 35 -9.183 -4.630 -0.468 1.00 0.00 C ATOM 502 C LEU A 35 -10.215 -4.934 -1.549 1.00 0.00 C ATOM 503 O LEU A 35 -9.946 -4.781 -2.739 1.00 0.00 O ATOM 504 CB LEU A 35 -7.771 -4.802 -1.032 1.00 0.00 C ATOM 505 CG LEU A 35 -6.625 -4.630 -0.035 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.440 -5.498 -0.428 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.211 -3.168 0.055 1.00 0.00 C ATOM 0 H LEU A 35 -8.803 -6.340 0.685 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.315 -3.597 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.696 -5.796 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.634 -4.083 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.973 -4.950 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.634 -5.362 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.744 -6.545 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.091 -5.210 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.394 -3.064 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.882 -2.822 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.060 -2.569 0.385 1.00 0.00 H new ATOM 519 N GLY A 36 -11.399 -5.366 -1.124 1.00 0.00 N ATOM 520 CA GLY A 36 -12.455 -5.683 -2.068 1.00 0.00 C ATOM 521 C GLY A 36 -12.714 -4.556 -3.049 1.00 0.00 C ATOM 522 O GLY A 36 -12.668 -4.758 -4.262 1.00 0.00 O ATOM 0 H GLY A 36 -11.645 -5.502 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.187 -6.585 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.372 -5.903 -1.522 1.00 0.00 H new ATOM 526 N ARG A 37 -12.989 -3.368 -2.522 1.00 0.00 N ATOM 527 CA ARG A 37 -13.260 -2.205 -3.359 1.00 0.00 C ATOM 528 C ARG A 37 -11.980 -1.704 -4.023 1.00 0.00 C ATOM 529 O ARG A 37 -11.883 -1.653 -5.250 1.00 0.00 O ATOM 530 CB ARG A 37 -13.888 -1.086 -2.527 1.00 0.00 C ATOM 531 CG ARG A 37 -15.393 -1.219 -2.365 1.00 0.00 C ATOM 532 CD ARG A 37 -15.996 0.022 -1.725 1.00 0.00 C ATOM 533 NE ARG A 37 -17.331 -0.233 -1.189 1.00 0.00 N ATOM 534 CZ ARG A 37 -18.438 -0.189 -1.922 1.00 0.00 C ATOM 535 NH1 ARG A 37 -18.370 0.097 -3.214 1.00 0.00 N ATOM 536 NH2 ARG A 37 -19.616 -0.432 -1.361 1.00 0.00 N ATOM 0 H ARG A 37 -13.030 -3.185 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.960 -2.504 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.425 -1.074 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.665 -0.127 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.852 -1.387 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.618 -2.092 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.344 0.370 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.048 0.822 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.418 -0.457 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.466 0.284 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.222 0.130 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.672 -0.653 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -20.466 -0.398 -1.924 1.00 0.00 H new ATOM 550 N LEU A 38 -11.002 -1.333 -3.205 1.00 0.00 N ATOM 551 CA LEU A 38 -9.728 -0.835 -3.712 1.00 0.00 C ATOM 552 C LEU A 38 -9.216 -1.710 -4.852 1.00 0.00 C ATOM 553 O LEU A 38 -9.641 -2.854 -5.008 1.00 0.00 O ATOM 554 CB LEU A 38 -8.692 -0.786 -2.587 1.00 0.00 C ATOM 555 CG LEU A 38 -8.773 0.422 -1.653 1.00 0.00 C ATOM 556 CD1 LEU A 38 -8.053 0.134 -0.345 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.190 1.656 -2.325 1.00 0.00 C ATOM 0 H LEU A 38 -11.066 -1.367 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.887 0.173 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.793 -1.691 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.698 -0.809 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.822 0.616 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.121 1.005 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.516 -0.723 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.005 -0.087 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.256 2.506 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.145 1.474 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.750 1.874 -3.234 1.00 0.00 H new ATOM 569 N SER A 39 -8.299 -1.163 -5.645 1.00 0.00 N ATOM 570 CA SER A 39 -7.730 -1.893 -6.771 1.00 0.00 C ATOM 571 C SER A 39 -6.336 -2.413 -6.434 1.00 0.00 C ATOM 572 O SER A 39 -5.404 -1.648 -6.185 1.00 0.00 O ATOM 573 CB SER A 39 -7.666 -0.995 -8.008 1.00 0.00 C ATOM 574 OG SER A 39 -8.966 -0.662 -8.464 1.00 0.00 O ATOM 0 H SER A 39 -7.935 -0.217 -5.528 1.00 0.00 H new ATOM 0 HA SER A 39 -8.375 -2.746 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.116 -0.084 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.118 -1.502 -8.802 1.00 0.00 H new ATOM 0 HG SER A 39 -8.898 -0.086 -9.254 1.00 0.00 H new ATOM 580 N PRO A 40 -6.188 -3.746 -6.425 1.00 0.00 N ATOM 581 CA PRO A 40 -4.911 -4.399 -6.120 1.00 0.00 C ATOM 582 C PRO A 40 -3.877 -4.193 -7.221 1.00 0.00 C ATOM 583 O PRO A 40 -2.716 -3.887 -6.949 1.00 0.00 O ATOM 584 CB PRO A 40 -5.287 -5.878 -6.008 1.00 0.00 C ATOM 585 CG PRO A 40 -6.515 -6.021 -6.840 1.00 0.00 C ATOM 586 CD PRO A 40 -7.256 -4.718 -6.712 1.00 0.00 C ATOM 0 HA PRO A 40 -4.450 -3.993 -5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.485 -6.519 -6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.475 -6.161 -4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.260 -6.225 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.127 -6.854 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.791 -4.468 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.994 -4.752 -5.911 1.00 0.00 H new ATOM 594 N LYS A 41 -4.306 -4.363 -8.468 1.00 0.00 N ATOM 595 CA LYS A 41 -3.418 -4.195 -9.612 1.00 0.00 C ATOM 596 C LYS A 41 -2.594 -2.919 -9.478 1.00 0.00 C ATOM 597 O LYS A 41 -1.373 -2.936 -9.637 1.00 0.00 O ATOM 598 CB LYS A 41 -4.228 -4.158 -10.910 1.00 0.00 C ATOM 599 CG LYS A 41 -3.470 -4.690 -12.114 1.00 0.00 C ATOM 600 CD LYS A 41 -4.219 -4.419 -13.409 1.00 0.00 C ATOM 601 CE LYS A 41 -3.884 -5.452 -14.473 1.00 0.00 C ATOM 602 NZ LYS A 41 -4.943 -5.537 -15.516 1.00 0.00 N ATOM 0 H LYS A 41 -5.263 -4.617 -8.711 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.736 -5.045 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.139 -4.742 -10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.534 -3.131 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.485 -4.226 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.313 -5.763 -12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.292 -4.426 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.967 -3.424 -13.775 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.933 -5.196 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.757 -6.428 -14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.677 -6.252 -16.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.845 -5.806 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.047 -4.613 -15.981 1.00 0.00 H new ATOM 616 N THR A 42 -3.269 -1.812 -9.184 1.00 0.00 N ATOM 617 CA THR A 42 -2.599 -0.527 -9.028 1.00 0.00 C ATOM 618 C THR A 42 -2.043 -0.364 -7.618 1.00 0.00 C ATOM 619 O THR A 42 -1.070 0.357 -7.404 1.00 0.00 O ATOM 620 CB THR A 42 -3.553 0.644 -9.330 1.00 0.00 C ATOM 621 OG1 THR A 42 -4.801 0.445 -8.658 1.00 0.00 O ATOM 622 CG2 THR A 42 -3.792 0.775 -10.827 1.00 0.00 C ATOM 0 H THR A 42 -4.280 -1.780 -9.049 1.00 0.00 H new ATOM 0 HA THR A 42 -1.777 -0.510 -9.744 1.00 0.00 H new ATOM 0 HB THR A 42 -3.090 1.563 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.401 1.195 -8.854 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.469 1.608 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.843 0.956 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.235 -0.146 -11.207 1.00 0.00 H new ATOM 630 N ASN A 43 -2.669 -1.039 -6.659 1.00 0.00 N ATOM 631 CA ASN A 43 -2.236 -0.968 -5.268 1.00 0.00 C ATOM 632 C ASN A 43 -1.077 -1.926 -5.009 1.00 0.00 C ATOM 633 O ASN A 43 -0.991 -2.542 -3.947 1.00 0.00 O ATOM 634 CB ASN A 43 -3.401 -1.296 -4.332 1.00 0.00 C ATOM 635 CG ASN A 43 -4.431 -0.184 -4.280 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.262 0.864 -4.903 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.507 -0.409 -3.535 1.00 0.00 N ATOM 0 H ASN A 43 -3.477 -1.641 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.895 0.049 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.881 -2.217 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.017 -1.479 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.235 0.302 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.606 -1.293 -3.035 1.00 0.00 H new ATOM 644 N THR A 44 -0.186 -2.046 -5.989 1.00 0.00 N ATOM 645 CA THR A 44 0.968 -2.928 -5.868 1.00 0.00 C ATOM 646 C THR A 44 2.242 -2.134 -5.602 1.00 0.00 C ATOM 647 O THR A 44 2.627 -1.275 -6.395 1.00 0.00 O ATOM 648 CB THR A 44 1.161 -3.776 -7.140 1.00 0.00 C ATOM 649 OG1 THR A 44 -0.015 -4.551 -7.395 1.00 0.00 O ATOM 650 CG2 THR A 44 2.362 -4.700 -6.997 1.00 0.00 C ATOM 0 H THR A 44 -0.242 -1.543 -6.875 1.00 0.00 H new ATOM 0 HA THR A 44 0.774 -3.590 -5.024 1.00 0.00 H new ATOM 0 HB THR A 44 1.339 -3.101 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.810 -4.011 -7.204 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.479 -5.289 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.261 -4.106 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.208 -5.368 -6.150 1.00 0.00 H new ATOM 658 N CYS A 45 2.893 -2.428 -4.482 1.00 0.00 N ATOM 659 CA CYS A 45 4.125 -1.742 -4.111 1.00 0.00 C ATOM 660 C CYS A 45 5.261 -2.113 -5.059 1.00 0.00 C ATOM 661 O CYS A 45 5.706 -3.260 -5.092 1.00 0.00 O ATOM 662 CB CYS A 45 4.513 -2.088 -2.672 1.00 0.00 C ATOM 663 SG CYS A 45 6.227 -1.652 -2.238 1.00 0.00 S ATOM 0 H CYS A 45 2.588 -3.137 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 45 3.950 -0.669 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.835 -1.574 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.371 -3.157 -2.516 1.00 0.00 H new ATOM 668 N ARG A 46 5.726 -1.134 -5.828 1.00 0.00 N ATOM 669 CA ARG A 46 6.810 -1.358 -6.777 1.00 0.00 C ATOM 670 C ARG A 46 8.048 -1.902 -6.071 1.00 0.00 C ATOM 671 O ARG A 46 8.894 -2.548 -6.688 1.00 0.00 O ATOM 672 CB ARG A 46 7.155 -0.057 -7.505 1.00 0.00 C ATOM 673 CG ARG A 46 5.942 0.672 -8.058 1.00 0.00 C ATOM 674 CD ARG A 46 6.306 1.525 -9.264 1.00 0.00 C ATOM 675 NE ARG A 46 5.123 2.053 -9.938 1.00 0.00 N ATOM 676 CZ ARG A 46 5.137 2.535 -11.176 1.00 0.00 C ATOM 677 NH1 ARG A 46 6.266 2.554 -11.871 1.00 0.00 N ATOM 678 NH2 ARG A 46 4.019 2.998 -11.721 1.00 0.00 N ATOM 0 H ARG A 46 5.369 -0.179 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 46 6.475 -2.097 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.684 0.604 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.839 -0.279 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.178 -0.053 -8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.510 1.303 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.941 2.352 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.888 0.929 -9.967 1.00 0.00 H new ATOM 0 HE ARG A 46 4.238 2.052 -9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.127 2.198 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.274 2.925 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.149 2.984 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.030 3.368 -12.671 1.00 0.00 H new ATOM 692 N GLY A 47 8.147 -1.636 -4.772 1.00 0.00 N ATOM 693 CA GLY A 47 9.285 -2.106 -4.003 1.00 0.00 C ATOM 694 C GLY A 47 9.325 -3.617 -3.892 1.00 0.00 C ATOM 695 O GLY A 47 10.237 -4.261 -4.411 1.00 0.00 O ATOM 0 H GLY A 47 7.460 -1.104 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.205 -1.755 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.249 -1.672 -3.004 1.00 0.00 H new ATOM 699 N CYS A 48 8.335 -4.185 -3.211 1.00 0.00 N ATOM 700 CA CYS A 48 8.261 -5.630 -3.030 1.00 0.00 C ATOM 701 C CYS A 48 7.125 -6.224 -3.857 1.00 0.00 C ATOM 702 O CYS A 48 6.663 -7.332 -3.590 1.00 0.00 O ATOM 703 CB CYS A 48 8.063 -5.970 -1.552 1.00 0.00 C ATOM 704 SG CYS A 48 6.692 -5.069 -0.759 1.00 0.00 S ATOM 0 H CYS A 48 7.573 -3.666 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 48 9.201 -6.063 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.883 -7.041 -1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.986 -5.753 -1.014 1.00 0.00 H new ATOM 709 N ASN A 49 6.680 -5.478 -4.863 1.00 0.00 N ATOM 710 CA ASN A 49 5.598 -5.931 -5.730 1.00 0.00 C ATOM 711 C ASN A 49 4.532 -6.670 -4.928 1.00 0.00 C ATOM 712 O ASN A 49 3.987 -7.678 -5.380 1.00 0.00 O ATOM 713 CB ASN A 49 6.146 -6.840 -6.832 1.00 0.00 C ATOM 714 CG ASN A 49 7.153 -6.133 -7.718 1.00 0.00 C ATOM 715 OD1 ASN A 49 7.578 -5.016 -7.425 1.00 0.00 O ATOM 716 ND2 ASN A 49 7.539 -6.783 -8.810 1.00 0.00 N ATOM 0 H ASN A 49 7.052 -4.558 -5.098 1.00 0.00 H new ATOM 0 HA ASN A 49 5.140 -5.054 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.615 -7.713 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.320 -7.203 -7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.214 -6.357 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.160 -7.708 -9.014 1.00 0.00 H new ATOM 723 N HIS A 50 4.238 -6.161 -3.735 1.00 0.00 N ATOM 724 CA HIS A 50 3.235 -6.773 -2.870 1.00 0.00 C ATOM 725 C HIS A 50 1.903 -6.036 -2.977 1.00 0.00 C ATOM 726 O HIS A 50 1.758 -5.106 -3.772 1.00 0.00 O ATOM 727 CB HIS A 50 3.716 -6.773 -1.418 1.00 0.00 C ATOM 728 CG HIS A 50 4.579 -7.948 -1.074 1.00 0.00 C ATOM 729 ND1 HIS A 50 5.592 -8.072 -0.185 1.00 0.00 N flip ATOM 730 CD2 HIS A 50 4.445 -9.182 -1.675 1.00 0.00 C flip ATOM 731 CE1 HIS A 50 6.047 -9.365 -0.264 1.00 0.00 C flip ATOM 732 NE2 HIS A 50 5.338 -10.014 -1.170 1.00 0.00 N flip ATOM 0 H HIS A 50 4.679 -5.328 -3.346 1.00 0.00 H new ATOM 0 HA HIS A 50 3.088 -7.802 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.273 -5.855 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.850 -6.763 -0.757 1.00 0.00 H new ATOM 0 HD1 HIS A 50 5.951 -7.341 0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.723 -9.429 -2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.854 -9.783 0.320 1.00 0.00 H new ATOM 740 N LEU A 51 0.934 -6.457 -2.172 1.00 0.00 N ATOM 741 CA LEU A 51 -0.387 -5.838 -2.177 1.00 0.00 C ATOM 742 C LEU A 51 -0.646 -5.097 -0.869 1.00 0.00 C ATOM 743 O LEU A 51 -0.709 -5.706 0.200 1.00 0.00 O ATOM 744 CB LEU A 51 -1.468 -6.897 -2.398 1.00 0.00 C ATOM 745 CG LEU A 51 -2.902 -6.468 -2.088 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.314 -5.303 -2.974 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.859 -7.638 -2.263 1.00 0.00 C ATOM 0 H LEU A 51 1.038 -7.224 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.420 -5.118 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.424 -7.221 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.229 -7.765 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.946 -6.141 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.338 -5.011 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.647 -4.459 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.253 -5.602 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.875 -7.314 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.812 -7.996 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.577 -8.443 -1.585 1.00 0.00 H new ATOM 759 N VAL A 52 -0.796 -3.780 -0.960 1.00 0.00 N ATOM 760 CA VAL A 52 -1.052 -2.955 0.215 1.00 0.00 C ATOM 761 C VAL A 52 -2.139 -1.924 -0.063 1.00 0.00 C ATOM 762 O VAL A 52 -2.375 -1.547 -1.211 1.00 0.00 O ATOM 763 CB VAL A 52 0.224 -2.228 0.678 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.988 -3.077 1.683 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.102 -1.880 -0.515 1.00 0.00 C ATOM 0 H VAL A 52 -0.745 -3.260 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.387 -3.626 1.006 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.066 -1.299 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.887 -2.547 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.357 -3.270 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.269 -4.023 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.999 -1.367 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.385 -2.794 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.551 -1.230 -1.195 1.00 0.00 H new ATOM 775 N CYS A 53 -2.800 -1.470 0.997 1.00 0.00 N ATOM 776 CA CYS A 53 -3.864 -0.481 0.869 1.00 0.00 C ATOM 777 C CYS A 53 -3.286 0.919 0.682 1.00 0.00 C ATOM 778 O CYS A 53 -2.069 1.106 0.695 1.00 0.00 O ATOM 779 CB CYS A 53 -4.768 -0.511 2.103 1.00 0.00 C ATOM 780 SG CYS A 53 -3.929 -0.043 3.651 1.00 0.00 S ATOM 0 H CYS A 53 -2.617 -1.771 1.954 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.455 -0.732 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.609 0.163 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.180 -1.514 2.214 1.00 0.00 H new ATOM 785 N ARG A 54 -4.167 1.899 0.509 1.00 0.00 N ATOM 786 CA ARG A 54 -3.745 3.281 0.319 1.00 0.00 C ATOM 787 C ARG A 54 -3.399 3.933 1.654 1.00 0.00 C ATOM 788 O ARG A 54 -3.208 5.146 1.734 1.00 0.00 O ATOM 789 CB ARG A 54 -4.845 4.081 -0.381 1.00 0.00 C ATOM 790 CG ARG A 54 -5.324 3.452 -1.679 1.00 0.00 C ATOM 791 CD ARG A 54 -4.487 3.912 -2.863 1.00 0.00 C ATOM 792 NE ARG A 54 -5.166 3.683 -4.135 1.00 0.00 N ATOM 793 CZ ARG A 54 -4.592 3.867 -5.319 1.00 0.00 C ATOM 794 NH1 ARG A 54 -3.334 4.281 -5.391 1.00 0.00 N ATOM 795 NH2 ARG A 54 -5.275 3.637 -6.432 1.00 0.00 N ATOM 0 H ARG A 54 -5.178 1.761 0.497 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.852 3.279 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.693 4.186 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.476 5.085 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.276 2.366 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.369 3.713 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.263 4.973 -2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.534 3.383 -2.860 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.135 3.364 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.806 4.459 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.895 4.422 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.243 3.318 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.833 3.779 -7.340 1.00 0.00 H new ATOM 809 N ASP A 55 -3.320 3.118 2.701 1.00 0.00 N ATOM 810 CA ASP A 55 -2.997 3.615 4.033 1.00 0.00 C ATOM 811 C ASP A 55 -1.667 3.045 4.518 1.00 0.00 C ATOM 812 O ASP A 55 -1.133 3.471 5.542 1.00 0.00 O ATOM 813 CB ASP A 55 -4.109 3.255 5.019 1.00 0.00 C ATOM 814 CG ASP A 55 -4.198 4.232 6.175 1.00 0.00 C ATOM 815 OD1 ASP A 55 -3.284 4.229 7.026 1.00 0.00 O ATOM 816 OD2 ASP A 55 -5.180 5.001 6.227 1.00 0.00 O ATOM 0 H ASP A 55 -3.475 2.111 2.653 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.909 4.700 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.063 3.232 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.935 2.252 5.408 1.00 0.00 H new ATOM 821 N CYS A 56 -1.138 2.077 3.776 1.00 0.00 N ATOM 822 CA CYS A 56 0.128 1.447 4.129 1.00 0.00 C ATOM 823 C CYS A 56 1.185 1.715 3.062 1.00 0.00 C ATOM 824 O CYS A 56 2.129 0.941 2.901 1.00 0.00 O ATOM 825 CB CYS A 56 -0.062 -0.061 4.308 1.00 0.00 C ATOM 826 SG CYS A 56 -1.078 -0.516 5.750 1.00 0.00 S ATOM 0 H CYS A 56 -1.568 1.712 2.926 1.00 0.00 H new ATOM 0 HA CYS A 56 0.470 1.878 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.524 -0.468 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.917 -0.531 4.404 1.00 0.00 H new ATOM 831 N ARG A 57 1.020 2.816 2.336 1.00 0.00 N ATOM 832 CA ARG A 57 1.959 3.185 1.284 1.00 0.00 C ATOM 833 C ARG A 57 2.474 4.607 1.490 1.00 0.00 C ATOM 834 O ARG A 57 1.930 5.364 2.293 1.00 0.00 O ATOM 835 CB ARG A 57 1.293 3.066 -0.088 1.00 0.00 C ATOM 836 CG ARG A 57 0.123 4.016 -0.282 1.00 0.00 C ATOM 837 CD ARG A 57 -0.529 3.827 -1.643 1.00 0.00 C ATOM 838 NE ARG A 57 0.156 4.582 -2.688 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.074 5.866 -2.938 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.967 6.534 -2.222 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.590 6.484 -3.907 1.00 0.00 N ATOM 0 H ARG A 57 0.245 3.468 2.457 1.00 0.00 H new ATOM 0 HA ARG A 57 2.806 2.500 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.037 3.257 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.945 2.042 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.615 3.850 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.468 5.045 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.528 2.768 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.571 4.142 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 57 0.849 4.097 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.479 6.062 -1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.142 7.520 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.278 5.973 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.413 7.470 -4.098 1.00 0.00 H new ATOM 855 N ILE A 58 3.526 4.961 0.759 1.00 0.00 N ATOM 856 CA ILE A 58 4.113 6.291 0.861 1.00 0.00 C ATOM 857 C ILE A 58 4.302 6.916 -0.517 1.00 0.00 C ATOM 858 O ILE A 58 4.802 6.271 -1.438 1.00 0.00 O ATOM 859 CB ILE A 58 5.472 6.252 1.585 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.286 5.828 3.043 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.154 7.610 1.505 1.00 0.00 C ATOM 862 CD1 ILE A 58 5.209 4.329 3.231 1.00 0.00 C ATOM 0 H ILE A 58 3.989 4.345 0.090 1.00 0.00 H new ATOM 0 HA ILE A 58 3.418 6.899 1.441 1.00 0.00 H new ATOM 0 HB ILE A 58 6.109 5.518 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.114 6.218 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.374 6.282 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.113 7.566 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.316 7.875 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.522 8.363 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.077 4.101 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.364 3.934 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.130 3.870 2.873 1.00 0.00 H new ATOM 874 N GLN A 59 3.899 8.176 -0.649 1.00 0.00 N ATOM 875 CA GLN A 59 4.025 8.888 -1.915 1.00 0.00 C ATOM 876 C GLN A 59 5.422 9.482 -2.069 1.00 0.00 C ATOM 877 O GLN A 59 5.836 10.329 -1.280 1.00 0.00 O ATOM 878 CB GLN A 59 2.974 9.996 -2.008 1.00 0.00 C ATOM 879 CG GLN A 59 1.626 9.514 -2.520 1.00 0.00 C ATOM 880 CD GLN A 59 1.568 9.444 -4.033 1.00 0.00 C ATOM 881 OE1 GLN A 59 0.375 9.220 -4.570 1.00 0.00 O flip ATOM 882 NE2 GLN A 59 2.585 9.590 -4.713 1.00 0.00 N flip ATOM 0 H GLN A 59 3.483 8.724 0.104 1.00 0.00 H new ATOM 0 HA GLN A 59 3.863 8.174 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.841 10.443 -1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.344 10.782 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.416 8.528 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.845 10.184 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.482 9.760 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.530 9.540 -5.730 1.00 0.00 H new ATOM 891 N GLU A 60 6.142 9.030 -3.092 1.00 0.00 N ATOM 892 CA GLU A 60 7.492 9.517 -3.347 1.00 0.00 C ATOM 893 C GLU A 60 7.469 10.716 -4.291 1.00 0.00 C ATOM 894 O GLU A 60 6.455 10.997 -4.930 1.00 0.00 O ATOM 895 CB GLU A 60 8.355 8.402 -3.943 1.00 0.00 C ATOM 896 CG GLU A 60 8.864 7.409 -2.911 1.00 0.00 C ATOM 897 CD GLU A 60 10.211 7.804 -2.336 1.00 0.00 C ATOM 898 OE1 GLU A 60 11.192 7.861 -3.107 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.283 8.055 -1.115 1.00 0.00 O ATOM 0 H GLU A 60 5.813 8.329 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 60 7.923 9.833 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.774 7.867 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.207 8.848 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.138 7.327 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.944 6.423 -3.369 1.00 0.00 H new ATOM 906 N SER A 61 8.594 11.420 -4.371 1.00 0.00 N ATOM 907 CA SER A 61 8.702 12.592 -5.233 1.00 0.00 C ATOM 908 C SER A 61 8.788 12.181 -6.700 1.00 0.00 C ATOM 909 O SER A 61 7.924 12.527 -7.504 1.00 0.00 O ATOM 910 CB SER A 61 9.930 13.420 -4.850 1.00 0.00 C ATOM 911 OG SER A 61 10.203 14.408 -5.828 1.00 0.00 O ATOM 0 H SER A 61 9.443 11.200 -3.850 1.00 0.00 H new ATOM 0 HA SER A 61 7.807 13.198 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.765 13.896 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.794 12.765 -4.739 1.00 0.00 H new ATOM 0 HG SER A 61 10.991 14.925 -5.560 1.00 0.00 H new ATOM 917 N ASN A 62 9.839 11.441 -7.040 1.00 0.00 N ATOM 918 CA ASN A 62 10.040 10.984 -8.410 1.00 0.00 C ATOM 919 C ASN A 62 8.704 10.692 -9.087 1.00 0.00 C ATOM 920 O ASN A 62 8.243 11.461 -9.930 1.00 0.00 O ATOM 921 CB ASN A 62 10.917 9.730 -8.427 1.00 0.00 C ATOM 922 CG ASN A 62 12.244 9.944 -7.725 1.00 0.00 C ATOM 923 OD1 ASN A 62 12.744 11.067 -7.646 1.00 0.00 O ATOM 924 ND2 ASN A 62 12.822 8.864 -7.212 1.00 0.00 N ATOM 0 H ASN A 62 10.564 11.146 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 62 10.542 11.779 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.383 8.910 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.099 9.431 -9.459 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.717 8.945 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.371 7.953 -7.301 1.00 0.00 H new ATOM 931 N GLY A 63 8.087 9.575 -8.713 1.00 0.00 N ATOM 932 CA GLY A 63 6.811 9.202 -9.293 1.00 0.00 C ATOM 933 C GLY A 63 6.422 7.773 -8.970 1.00 0.00 C ATOM 934 O GLY A 63 5.772 7.101 -9.771 1.00 0.00 O ATOM 0 H GLY A 63 8.449 8.922 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.038 9.877 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.857 9.327 -10.375 1.00 0.00 H new ATOM 938 N THR A 64 6.823 7.305 -7.792 1.00 0.00 N ATOM 939 CA THR A 64 6.515 5.945 -7.365 1.00 0.00 C ATOM 940 C THR A 64 6.001 5.923 -5.930 1.00 0.00 C ATOM 941 O THR A 64 5.863 6.967 -5.294 1.00 0.00 O ATOM 942 CB THR A 64 7.750 5.031 -7.471 1.00 0.00 C ATOM 943 OG1 THR A 64 8.763 5.468 -6.558 1.00 0.00 O ATOM 944 CG2 THR A 64 8.303 5.030 -8.888 1.00 0.00 C ATOM 0 H THR A 64 7.362 7.847 -7.117 1.00 0.00 H new ATOM 0 HA THR A 64 5.738 5.572 -8.032 1.00 0.00 H new ATOM 0 HB THR A 64 7.446 4.016 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.544 4.881 -6.630 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.175 4.377 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.539 4.668 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.592 6.043 -9.167 1.00 0.00 H new ATOM 952 N TRP A 65 5.721 4.726 -5.427 1.00 0.00 N ATOM 953 CA TRP A 65 5.222 4.568 -4.065 1.00 0.00 C ATOM 954 C TRP A 65 5.530 3.173 -3.532 1.00 0.00 C ATOM 955 O TRP A 65 5.481 2.191 -4.272 1.00 0.00 O ATOM 956 CB TRP A 65 3.715 4.825 -4.019 1.00 0.00 C ATOM 957 CG TRP A 65 2.904 3.709 -4.604 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.317 3.682 -5.837 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.590 2.459 -3.980 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.656 2.490 -6.016 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.809 1.723 -4.892 1.00 0.00 C ATOM 962 CE3 TRP A 65 2.893 1.890 -2.740 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.329 0.449 -4.601 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.415 0.626 -2.453 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.641 -0.084 -3.380 1.00 0.00 C ATOM 0 H TRP A 65 5.831 3.852 -5.941 1.00 0.00 H new ATOM 0 HA TRP A 65 5.726 5.298 -3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.412 4.981 -2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.494 5.746 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.365 4.479 -6.564 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.136 2.221 -6.851 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.490 2.429 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.731 -0.099 -5.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.642 0.177 -1.497 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.284 -1.071 -3.126 1.00 0.00 H new ATOM 976 N ARG A 66 5.845 3.093 -2.243 1.00 0.00 N ATOM 977 CA ARG A 66 6.161 1.818 -1.612 1.00 0.00 C ATOM 978 C ARG A 66 5.405 1.661 -0.295 1.00 0.00 C ATOM 979 O ARG A 66 4.822 2.617 0.216 1.00 0.00 O ATOM 980 CB ARG A 66 7.666 1.706 -1.363 1.00 0.00 C ATOM 981 CG ARG A 66 8.425 1.052 -2.507 1.00 0.00 C ATOM 982 CD ARG A 66 9.916 1.339 -2.422 1.00 0.00 C ATOM 983 NE ARG A 66 10.638 0.833 -3.586 1.00 0.00 N ATOM 984 CZ ARG A 66 11.852 1.244 -3.934 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.477 2.163 -3.211 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.444 0.735 -5.007 1.00 0.00 N ATOM 0 H ARG A 66 5.888 3.896 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 66 5.851 1.021 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.073 2.703 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.833 1.132 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.259 -0.025 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.037 1.416 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.074 2.414 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.322 0.885 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 66 10.185 0.125 -4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.025 2.556 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.409 2.477 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.967 0.027 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.376 1.051 -5.273 1.00 0.00 H new ATOM 1000 N CYS A 67 5.418 0.448 0.247 1.00 0.00 N ATOM 1001 CA CYS A 67 4.733 0.164 1.503 1.00 0.00 C ATOM 1002 C CYS A 67 5.465 0.805 2.678 1.00 0.00 C ATOM 1003 O CYS A 67 6.588 1.289 2.536 1.00 0.00 O ATOM 1004 CB CYS A 67 4.624 -1.347 1.718 1.00 0.00 C ATOM 1005 SG CYS A 67 6.225 -2.217 1.709 1.00 0.00 S ATOM 0 H CYS A 67 5.895 -0.354 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 67 3.731 0.589 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.127 -1.533 2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.989 -1.769 0.939 1.00 0.00 H new ATOM 1010 N LYS A 68 4.821 0.804 3.840 1.00 0.00 N ATOM 1011 CA LYS A 68 5.409 1.384 5.042 1.00 0.00 C ATOM 1012 C LYS A 68 6.739 0.715 5.373 1.00 0.00 C ATOM 1013 O LYS A 68 7.695 1.378 5.777 1.00 0.00 O ATOM 1014 CB LYS A 68 4.447 1.243 6.224 1.00 0.00 C ATOM 1015 CG LYS A 68 3.039 1.728 5.924 1.00 0.00 C ATOM 1016 CD LYS A 68 2.967 3.246 5.895 1.00 0.00 C ATOM 1017 CE LYS A 68 2.527 3.809 7.237 1.00 0.00 C ATOM 1018 NZ LYS A 68 1.205 3.268 7.659 1.00 0.00 N ATOM 0 H LYS A 68 3.891 0.408 3.975 1.00 0.00 H new ATOM 0 HA LYS A 68 5.591 2.442 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.405 0.196 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.842 1.803 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.712 1.329 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.352 1.344 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.943 3.653 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.270 3.563 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.275 3.571 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.471 4.896 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.739 3.947 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.610 3.113 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.342 2.366 8.157 1.00 0.00 H new ATOM 1032 N VAL A 69 6.795 -0.602 5.199 1.00 0.00 N ATOM 1033 CA VAL A 69 8.009 -1.359 5.476 1.00 0.00 C ATOM 1034 C VAL A 69 9.115 -1.005 4.489 1.00 0.00 C ATOM 1035 O VAL A 69 10.293 -0.963 4.848 1.00 0.00 O ATOM 1036 CB VAL A 69 7.749 -2.876 5.418 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.032 -3.648 5.686 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.664 -3.270 6.408 1.00 0.00 C ATOM 0 H VAL A 69 6.013 -1.166 4.867 1.00 0.00 H new ATOM 0 HA VAL A 69 8.327 -1.091 6.483 1.00 0.00 H new ATOM 0 HB VAL A 69 7.403 -3.129 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.829 -4.718 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.777 -3.388 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.411 -3.392 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.494 -4.345 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.978 -3.004 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.741 -2.744 6.165 1.00 0.00 H new ATOM 1048 N CYS A 70 8.730 -0.751 3.243 1.00 0.00 N ATOM 1049 CA CYS A 70 9.689 -0.400 2.203 1.00 0.00 C ATOM 1050 C CYS A 70 10.190 1.030 2.384 1.00 0.00 C ATOM 1051 O CYS A 70 11.365 1.255 2.674 1.00 0.00 O ATOM 1052 CB CYS A 70 9.052 -0.557 0.820 1.00 0.00 C ATOM 1053 SG CYS A 70 9.258 -2.214 0.091 1.00 0.00 S ATOM 0 H CYS A 70 7.760 -0.782 2.929 1.00 0.00 H new ATOM 0 HA CYS A 70 10.539 -1.077 2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.988 -0.334 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.486 0.181 0.146 1.00 0.00 H new ATOM 1058 N SER A 71 9.290 1.993 2.212 1.00 0.00 N ATOM 1059 CA SER A 71 9.641 3.401 2.354 1.00 0.00 C ATOM 1060 C SER A 71 10.265 3.671 3.719 1.00 0.00 C ATOM 1061 O SER A 71 11.265 4.379 3.828 1.00 0.00 O ATOM 1062 CB SER A 71 8.402 4.279 2.164 1.00 0.00 C ATOM 1063 OG SER A 71 8.760 5.580 1.733 1.00 0.00 O ATOM 0 H SER A 71 8.313 1.824 1.974 1.00 0.00 H new ATOM 0 HA SER A 71 10.373 3.646 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.736 3.821 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.850 4.342 3.102 1.00 0.00 H new ATOM 0 HG SER A 71 8.346 5.762 0.863 1.00 0.00 H new ATOM 1069 N GLY A 72 9.667 3.100 4.760 1.00 0.00 N ATOM 1070 CA GLY A 72 10.177 3.290 6.105 1.00 0.00 C ATOM 1071 C GLY A 72 11.647 2.943 6.222 1.00 0.00 C ATOM 1072 O GLY A 72 12.179 2.136 5.459 1.00 0.00 O ATOM 0 H GLY A 72 8.838 2.509 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.027 4.327 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.605 2.673 6.798 1.00 0.00 H new ATOM 1076 N PRO A 73 12.330 3.562 7.197 1.00 0.00 N ATOM 1077 CA PRO A 73 13.758 3.330 7.433 1.00 0.00 C ATOM 1078 C PRO A 73 14.035 1.938 7.989 1.00 0.00 C ATOM 1079 O PRO A 73 15.189 1.557 8.189 1.00 0.00 O ATOM 1080 CB PRO A 73 14.125 4.401 8.464 1.00 0.00 C ATOM 1081 CG PRO A 73 12.848 4.702 9.168 1.00 0.00 C ATOM 1082 CD PRO A 73 11.760 4.535 8.144 1.00 0.00 C ATOM 0 HA PRO A 73 14.338 3.388 6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.884 4.039 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.531 5.291 7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.698 4.026 10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.853 5.715 9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.838 4.166 8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.520 5.479 7.655 1.00 0.00 H new ATOM 1090 N SER A 74 12.971 1.182 8.237 1.00 0.00 N ATOM 1091 CA SER A 74 13.100 -0.168 8.773 1.00 0.00 C ATOM 1092 C SER A 74 12.810 -1.210 7.697 1.00 0.00 C ATOM 1093 O SER A 74 11.658 -1.425 7.319 1.00 0.00 O ATOM 1094 CB SER A 74 12.149 -0.363 9.956 1.00 0.00 C ATOM 1095 OG SER A 74 12.378 0.612 10.959 1.00 0.00 O ATOM 0 H SER A 74 12.009 1.481 8.075 1.00 0.00 H new ATOM 0 HA SER A 74 14.127 -0.300 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.117 -0.300 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.284 -1.360 10.375 1.00 0.00 H new ATOM 0 HG SER A 74 11.757 0.468 11.703 1.00 0.00 H new ATOM 1101 N SER A 75 13.864 -1.855 7.207 1.00 0.00 N ATOM 1102 CA SER A 75 13.725 -2.872 6.172 1.00 0.00 C ATOM 1103 C SER A 75 14.346 -4.192 6.620 1.00 0.00 C ATOM 1104 O SER A 75 15.558 -4.384 6.528 1.00 0.00 O ATOM 1105 CB SER A 75 14.383 -2.401 4.873 1.00 0.00 C ATOM 1106 OG SER A 75 13.779 -3.012 3.746 1.00 0.00 O ATOM 0 H SER A 75 14.824 -1.691 7.511 1.00 0.00 H new ATOM 0 HA SER A 75 12.661 -3.032 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.300 -1.317 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.447 -2.638 4.893 1.00 0.00 H new ATOM 0 HG SER A 75 14.215 -2.694 2.928 1.00 0.00 H new ATOM 1112 N GLY A 76 13.505 -5.100 7.106 1.00 0.00 N ATOM 1113 CA GLY A 76 13.988 -6.390 7.561 1.00 0.00 C ATOM 1114 C GLY A 76 14.057 -7.411 6.443 1.00 0.00 C ATOM 1115 O GLY A 76 13.193 -8.284 6.375 1.00 0.00 O ATOM 0 H GLY A 76 12.498 -4.965 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.978 -6.269 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.333 -6.762 8.349 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.796 -1.755 4.739 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.039 -2.805 -0.387 1.00 0.00 ZN