USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) 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 1:sc= 0.414 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 31:sc= 0.128 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0.267 (180deg=0.19) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 3:sc= -1.29 USER MOD Single : A 24 SER OG : rot 180:sc= 0.285 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 35:sc= 0.536 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.475 35.207 22.226 1.00 0.00 N ATOM 2 CA GLY A 1 -11.249 35.924 22.524 1.00 0.00 C ATOM 3 C GLY A 1 -10.010 35.106 22.214 1.00 0.00 C ATOM 4 O GLY A 1 -9.226 34.792 23.110 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.293 35.808 22.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.497 34.962 21.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.515 34.337 22.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.223 36.849 21.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.242 36.204 23.577 1.00 0.00 H new ATOM 8 N SER A 2 -9.834 34.760 20.943 1.00 0.00 N ATOM 9 CA SER A 2 -8.684 33.970 20.519 1.00 0.00 C ATOM 10 C SER A 2 -8.517 34.025 19.003 1.00 0.00 C ATOM 11 O SER A 2 -9.498 34.066 18.260 1.00 0.00 O ATOM 12 CB SER A 2 -8.842 32.517 20.973 1.00 0.00 C ATOM 13 OG SER A 2 -7.840 31.693 20.403 1.00 0.00 O ATOM 0 H SER A 2 -10.473 35.014 20.189 1.00 0.00 H new ATOM 0 HA SER A 2 -7.792 34.393 20.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.786 32.464 22.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.827 32.148 20.687 1.00 0.00 H new ATOM 0 HG SER A 2 -7.962 30.770 20.710 1.00 0.00 H new ATOM 19 N SER A 3 -7.267 34.025 18.552 1.00 0.00 N ATOM 20 CA SER A 3 -6.969 34.079 17.125 1.00 0.00 C ATOM 21 C SER A 3 -7.654 32.935 16.384 1.00 0.00 C ATOM 22 O SER A 3 -8.407 33.157 15.437 1.00 0.00 O ATOM 23 CB SER A 3 -5.458 34.018 16.895 1.00 0.00 C ATOM 24 OG SER A 3 -4.859 35.285 17.106 1.00 0.00 O ATOM 0 H SER A 3 -6.444 33.988 19.154 1.00 0.00 H new ATOM 0 HA SER A 3 -7.351 35.022 16.735 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.014 33.285 17.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.255 33.681 15.879 1.00 0.00 H new ATOM 0 HG SER A 3 -3.893 35.219 16.955 1.00 0.00 H new ATOM 30 N GLY A 4 -7.386 31.709 16.823 1.00 0.00 N ATOM 31 CA GLY A 4 -7.983 30.547 16.191 1.00 0.00 C ATOM 32 C GLY A 4 -7.059 29.345 16.194 1.00 0.00 C ATOM 33 O GLY A 4 -6.206 29.213 17.071 1.00 0.00 O ATOM 0 H GLY A 4 -6.766 31.500 17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.908 30.291 16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.250 30.793 15.163 1.00 0.00 H new ATOM 37 N SER A 5 -7.231 28.466 15.212 1.00 0.00 N ATOM 38 CA SER A 5 -6.409 27.266 15.109 1.00 0.00 C ATOM 39 C SER A 5 -6.391 26.742 13.676 1.00 0.00 C ATOM 40 O SER A 5 -7.437 26.448 13.098 1.00 0.00 O ATOM 41 CB SER A 5 -6.930 26.182 16.054 1.00 0.00 C ATOM 42 OG SER A 5 -6.835 26.596 17.406 1.00 0.00 O ATOM 0 H SER A 5 -7.932 28.562 14.477 1.00 0.00 H new ATOM 0 HA SER A 5 -5.390 27.528 15.395 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.968 25.953 15.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.359 25.265 15.910 1.00 0.00 H new ATOM 0 HG SER A 5 -6.467 27.503 17.445 1.00 0.00 H new ATOM 48 N SER A 6 -5.194 26.627 13.109 1.00 0.00 N ATOM 49 CA SER A 6 -5.039 26.142 11.743 1.00 0.00 C ATOM 50 C SER A 6 -4.036 24.993 11.685 1.00 0.00 C ATOM 51 O SER A 6 -3.071 24.958 12.447 1.00 0.00 O ATOM 52 CB SER A 6 -4.583 27.278 10.825 1.00 0.00 C ATOM 53 OG SER A 6 -4.929 27.013 9.476 1.00 0.00 O ATOM 0 H SER A 6 -4.318 26.863 13.575 1.00 0.00 H new ATOM 0 HA SER A 6 -6.007 25.774 11.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.041 28.214 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.504 27.407 10.909 1.00 0.00 H new ATOM 0 HG SER A 6 -4.629 27.754 8.910 1.00 0.00 H new ATOM 59 N GLY A 7 -4.274 24.054 10.774 1.00 0.00 N ATOM 60 CA GLY A 7 -3.385 22.916 10.633 1.00 0.00 C ATOM 61 C GLY A 7 -2.630 22.930 9.318 1.00 0.00 C ATOM 62 O GLY A 7 -1.523 23.459 9.235 1.00 0.00 O ATOM 0 H GLY A 7 -5.066 24.061 10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.672 22.911 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.964 21.995 10.706 1.00 0.00 H new ATOM 66 N GLY A 8 -3.231 22.344 8.287 1.00 0.00 N ATOM 67 CA GLY A 8 -2.593 22.300 6.984 1.00 0.00 C ATOM 68 C GLY A 8 -3.495 21.712 5.916 1.00 0.00 C ATOM 69 O GLY A 8 -3.354 20.546 5.546 1.00 0.00 O ATOM 0 H GLY A 8 -4.148 21.899 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.299 23.308 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.680 21.709 7.050 1.00 0.00 H new ATOM 73 N THR A 9 -4.426 22.521 5.420 1.00 0.00 N ATOM 74 CA THR A 9 -5.356 22.074 4.390 1.00 0.00 C ATOM 75 C THR A 9 -4.946 22.591 3.016 1.00 0.00 C ATOM 76 O THR A 9 -5.164 23.759 2.692 1.00 0.00 O ATOM 77 CB THR A 9 -6.793 22.538 4.693 1.00 0.00 C ATOM 78 OG1 THR A 9 -7.180 22.112 6.004 1.00 0.00 O ATOM 79 CG2 THR A 9 -7.769 21.982 3.666 1.00 0.00 C ATOM 0 H THR A 9 -4.556 23.489 5.715 1.00 0.00 H new ATOM 0 HA THR A 9 -5.326 20.984 4.388 1.00 0.00 H new ATOM 0 HB THR A 9 -6.817 23.627 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.094 22.413 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.777 22.323 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.490 22.332 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.740 20.893 3.689 1.00 0.00 H new ATOM 87 N ASP A 10 -4.352 21.716 2.213 1.00 0.00 N ATOM 88 CA ASP A 10 -3.912 22.084 0.872 1.00 0.00 C ATOM 89 C ASP A 10 -4.334 21.030 -0.146 1.00 0.00 C ATOM 90 O ASP A 10 -3.567 20.673 -1.040 1.00 0.00 O ATOM 91 CB ASP A 10 -2.394 22.263 0.841 1.00 0.00 C ATOM 92 CG ASP A 10 -1.943 23.518 1.562 1.00 0.00 C ATOM 93 OD1 ASP A 10 -2.229 23.643 2.772 1.00 0.00 O ATOM 94 OD2 ASP A 10 -1.305 24.375 0.918 1.00 0.00 O ATOM 0 H ASP A 10 -4.164 20.746 2.467 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.386 23.029 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.920 21.395 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.057 22.302 -0.195 1.00 0.00 H new ATOM 99 N GLY A 11 -5.559 20.533 -0.004 1.00 0.00 N ATOM 100 CA GLY A 11 -6.061 19.524 -0.918 1.00 0.00 C ATOM 101 C GLY A 11 -5.936 18.121 -0.357 1.00 0.00 C ATOM 102 O GLY A 11 -6.808 17.658 0.380 1.00 0.00 O ATOM 0 H GLY A 11 -6.213 20.811 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.107 19.730 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.514 19.586 -1.859 1.00 0.00 H new ATOM 106 N THR A 12 -4.850 17.439 -0.707 1.00 0.00 N ATOM 107 CA THR A 12 -4.616 16.080 -0.237 1.00 0.00 C ATOM 108 C THR A 12 -3.127 15.814 -0.043 1.00 0.00 C ATOM 109 O THR A 12 -2.333 15.961 -0.973 1.00 0.00 O ATOM 110 CB THR A 12 -5.188 15.039 -1.218 1.00 0.00 C ATOM 111 OG1 THR A 12 -4.763 15.338 -2.552 1.00 0.00 O ATOM 112 CG2 THR A 12 -6.708 15.018 -1.158 1.00 0.00 C ATOM 0 H THR A 12 -4.118 17.806 -1.315 1.00 0.00 H new ATOM 0 HA THR A 12 -5.128 15.985 0.721 1.00 0.00 H new ATOM 0 HB THR A 12 -4.815 14.056 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.882 15.767 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.090 14.276 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.029 14.762 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.096 16.001 -1.424 1.00 0.00 H new ATOM 120 N LYS A 13 -2.754 15.422 1.170 1.00 0.00 N ATOM 121 CA LYS A 13 -1.360 15.133 1.487 1.00 0.00 C ATOM 122 C LYS A 13 -1.038 13.664 1.233 1.00 0.00 C ATOM 123 O LYS A 13 -1.910 12.796 1.274 1.00 0.00 O ATOM 124 CB LYS A 13 -1.063 15.487 2.946 1.00 0.00 C ATOM 125 CG LYS A 13 -0.896 16.977 3.189 1.00 0.00 C ATOM 126 CD LYS A 13 -0.354 17.257 4.580 1.00 0.00 C ATOM 127 CE LYS A 13 0.273 18.641 4.666 1.00 0.00 C ATOM 128 NZ LYS A 13 -0.752 19.719 4.598 1.00 0.00 N ATOM 0 H LYS A 13 -3.398 15.297 1.951 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.732 15.742 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.872 15.114 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.154 14.972 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.220 17.395 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.857 17.477 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.160 17.176 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.389 16.503 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.832 18.729 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.987 18.767 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.337 20.614 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.077 19.827 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.559 19.469 5.204 1.00 0.00 H new ATOM 142 N PRO A 14 0.244 13.376 0.965 1.00 0.00 N ATOM 143 CA PRO A 14 0.711 12.012 0.702 1.00 0.00 C ATOM 144 C PRO A 14 0.673 11.135 1.949 1.00 0.00 C ATOM 145 O PRO A 14 1.627 11.104 2.726 1.00 0.00 O ATOM 146 CB PRO A 14 2.155 12.215 0.235 1.00 0.00 C ATOM 147 CG PRO A 14 2.574 13.506 0.849 1.00 0.00 C ATOM 148 CD PRO A 14 1.337 14.361 0.900 1.00 0.00 C ATOM 0 HA PRO A 14 0.081 11.499 -0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.795 11.395 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.217 12.255 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.981 13.349 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.355 13.984 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.338 15.018 1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.252 14.998 0.020 1.00 0.00 H new ATOM 156 N GLU A 15 -0.435 10.424 2.133 1.00 0.00 N ATOM 157 CA GLU A 15 -0.596 9.547 3.286 1.00 0.00 C ATOM 158 C GLU A 15 -1.284 8.244 2.888 1.00 0.00 C ATOM 159 O GLU A 15 -1.747 8.094 1.757 1.00 0.00 O ATOM 160 CB GLU A 15 -1.405 10.249 4.380 1.00 0.00 C ATOM 161 CG GLU A 15 -2.906 10.212 4.145 1.00 0.00 C ATOM 162 CD GLU A 15 -3.621 11.398 4.761 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.041 12.504 4.769 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.763 11.221 5.235 1.00 0.00 O ATOM 0 H GLU A 15 -1.234 10.438 1.499 1.00 0.00 H new ATOM 0 HA GLU A 15 0.396 9.311 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.184 9.782 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.082 11.288 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.102 10.191 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.313 9.291 4.562 1.00 0.00 H new ATOM 171 N CYS A 16 -1.345 7.303 3.824 1.00 0.00 N ATOM 172 CA CYS A 16 -1.973 6.012 3.573 1.00 0.00 C ATOM 173 C CYS A 16 -3.107 5.757 4.562 1.00 0.00 C ATOM 174 O CYS A 16 -2.955 4.992 5.514 1.00 0.00 O ATOM 175 CB CYS A 16 -0.938 4.890 3.667 1.00 0.00 C ATOM 176 SG CYS A 16 -1.287 3.464 2.588 1.00 0.00 S ATOM 0 H CYS A 16 -0.966 7.411 4.765 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.389 6.029 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.043 5.293 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.884 4.546 4.700 1.00 0.00 H new ATOM 181 N THR A 17 -4.245 6.405 4.329 1.00 0.00 N ATOM 182 CA THR A 17 -5.404 6.249 5.199 1.00 0.00 C ATOM 183 C THR A 17 -5.645 4.783 5.538 1.00 0.00 C ATOM 184 O THR A 17 -6.258 4.463 6.557 1.00 0.00 O ATOM 185 CB THR A 17 -6.675 6.830 4.550 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.798 6.642 5.418 1.00 0.00 O ATOM 187 CG2 THR A 17 -6.948 6.167 3.208 1.00 0.00 C ATOM 0 H THR A 17 -4.388 7.042 3.546 1.00 0.00 H new ATOM 0 HA THR A 17 -5.188 6.799 6.115 1.00 0.00 H new ATOM 0 HB THR A 17 -6.518 7.896 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.601 7.015 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.850 6.593 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.104 6.337 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.086 5.096 3.353 1.00 0.00 H new ATOM 195 N LEU A 18 -5.158 3.894 4.678 1.00 0.00 N ATOM 196 CA LEU A 18 -5.319 2.460 4.887 1.00 0.00 C ATOM 197 C LEU A 18 -4.366 1.956 5.966 1.00 0.00 C ATOM 198 O LEU A 18 -4.760 1.199 6.854 1.00 0.00 O ATOM 199 CB LEU A 18 -5.074 1.703 3.581 1.00 0.00 C ATOM 200 CG LEU A 18 -4.778 0.209 3.715 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.003 -0.534 4.226 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.320 -0.366 2.383 1.00 0.00 C ATOM 0 H LEU A 18 -4.649 4.142 3.830 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.342 2.279 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.951 1.823 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.238 2.173 3.063 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.973 0.081 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.774 -1.596 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.286 -0.141 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.828 -0.399 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.114 -1.430 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.103 -0.226 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.414 0.146 2.058 1.00 0.00 H new ATOM 214 N CYS A 19 -3.110 2.382 5.885 1.00 0.00 N ATOM 215 CA CYS A 19 -2.100 1.976 6.854 1.00 0.00 C ATOM 216 C CYS A 19 -1.840 3.088 7.867 1.00 0.00 C ATOM 217 O CYS A 19 -0.938 2.987 8.697 1.00 0.00 O ATOM 218 CB CYS A 19 -0.798 1.606 6.141 1.00 0.00 C ATOM 219 SG CYS A 19 -1.030 0.578 4.655 1.00 0.00 S ATOM 0 H CYS A 19 -2.767 3.009 5.157 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.475 1.103 7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.278 2.521 5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.152 1.075 6.840 1.00 0.00 H new ATOM 224 N GLY A 20 -2.638 4.149 7.790 1.00 0.00 N ATOM 225 CA GLY A 20 -2.479 5.264 8.705 1.00 0.00 C ATOM 226 C GLY A 20 -1.045 5.751 8.781 1.00 0.00 C ATOM 227 O GLY A 20 -0.617 6.285 9.804 1.00 0.00 O ATOM 0 H GLY A 20 -3.391 4.256 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.122 6.085 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.811 4.965 9.699 1.00 0.00 H new ATOM 231 N VAL A 21 -0.300 5.565 7.696 1.00 0.00 N ATOM 232 CA VAL A 21 1.094 5.989 7.644 1.00 0.00 C ATOM 233 C VAL A 21 1.275 7.167 6.694 1.00 0.00 C ATOM 234 O VAL A 21 1.408 6.989 5.483 1.00 0.00 O ATOM 235 CB VAL A 21 2.014 4.838 7.198 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.468 5.284 7.203 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.818 3.622 8.091 1.00 0.00 C ATOM 0 H VAL A 21 -0.639 5.123 6.841 1.00 0.00 H new ATOM 0 HA VAL A 21 1.370 6.294 8.653 1.00 0.00 H new ATOM 0 HB VAL A 21 1.748 4.558 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.103 4.457 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.594 6.123 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.751 5.592 8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.476 2.818 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.055 3.885 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.782 3.290 8.031 1.00 0.00 H new ATOM 247 N LYS A 22 1.279 8.374 7.251 1.00 0.00 N ATOM 248 CA LYS A 22 1.446 9.584 6.455 1.00 0.00 C ATOM 249 C LYS A 22 2.871 9.693 5.922 1.00 0.00 C ATOM 250 O LYS A 22 3.807 9.960 6.677 1.00 0.00 O ATOM 251 CB LYS A 22 1.106 10.820 7.291 1.00 0.00 C ATOM 252 CG LYS A 22 0.921 12.081 6.464 1.00 0.00 C ATOM 253 CD LYS A 22 2.240 12.805 6.250 1.00 0.00 C ATOM 254 CE LYS A 22 2.572 13.716 7.422 1.00 0.00 C ATOM 255 NZ LYS A 22 3.548 14.775 7.041 1.00 0.00 N ATOM 0 H LYS A 22 1.168 8.540 8.251 1.00 0.00 H new ATOM 0 HA LYS A 22 0.764 9.528 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.193 10.628 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.900 10.986 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.485 11.824 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.217 12.746 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.039 12.076 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.189 13.393 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.658 14.180 7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.981 13.122 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.749 15.375 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.430 14.332 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.148 15.358 6.278 1.00 0.00 H new ATOM 269 N TYR A 23 3.028 9.487 4.620 1.00 0.00 N ATOM 270 CA TYR A 23 4.340 9.561 3.987 1.00 0.00 C ATOM 271 C TYR A 23 4.983 10.924 4.226 1.00 0.00 C ATOM 272 O TYR A 23 4.300 11.948 4.262 1.00 0.00 O ATOM 273 CB TYR A 23 4.221 9.297 2.485 1.00 0.00 C ATOM 274 CG TYR A 23 3.171 8.268 2.133 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.116 7.048 2.795 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.233 8.516 1.138 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.158 6.104 2.477 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.271 7.579 0.814 1.00 0.00 C ATOM 279 CZ TYR A 23 1.238 6.375 1.485 1.00 0.00 C ATOM 280 OH TYR A 23 0.282 5.438 1.164 1.00 0.00 O ATOM 0 H TYR A 23 2.263 9.267 3.982 1.00 0.00 H new ATOM 0 HA TYR A 23 4.975 8.796 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.985 10.233 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.187 8.963 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.835 6.833 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.257 9.457 0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.130 5.160 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.548 7.788 0.039 1.00 0.00 H new ATOM 0 HH TYR A 23 0.368 4.666 1.761 1.00 0.00 H new ATOM 290 N SER A 24 6.303 10.928 4.387 1.00 0.00 N ATOM 291 CA SER A 24 7.039 12.164 4.625 1.00 0.00 C ATOM 292 C SER A 24 7.267 12.921 3.320 1.00 0.00 C ATOM 293 O SER A 24 7.285 12.329 2.241 1.00 0.00 O ATOM 294 CB SER A 24 8.382 11.861 5.293 1.00 0.00 C ATOM 295 OG SER A 24 9.237 11.146 4.417 1.00 0.00 O ATOM 0 H SER A 24 6.884 10.090 4.357 1.00 0.00 H new ATOM 0 HA SER A 24 6.443 12.791 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.861 12.793 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.218 11.280 6.201 1.00 0.00 H new ATOM 0 HG SER A 24 10.089 10.966 4.866 1.00 0.00 H new ATOM 301 N ALA A 25 7.440 14.234 3.428 1.00 0.00 N ATOM 302 CA ALA A 25 7.668 15.073 2.258 1.00 0.00 C ATOM 303 C ALA A 25 8.602 14.389 1.265 1.00 0.00 C ATOM 304 O ALA A 25 8.574 14.680 0.070 1.00 0.00 O ATOM 305 CB ALA A 25 8.236 16.421 2.677 1.00 0.00 C ATOM 0 H ALA A 25 7.427 14.740 4.314 1.00 0.00 H new ATOM 0 HA ALA A 25 6.709 15.233 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.401 17.037 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.532 16.922 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.182 16.271 3.197 1.00 0.00 H new ATOM 311 N ARG A 26 9.429 13.479 1.769 1.00 0.00 N ATOM 312 CA ARG A 26 10.374 12.755 0.927 1.00 0.00 C ATOM 313 C ARG A 26 9.761 11.454 0.418 1.00 0.00 C ATOM 314 O ARG A 26 9.773 11.177 -0.783 1.00 0.00 O ATOM 315 CB ARG A 26 11.658 12.457 1.703 1.00 0.00 C ATOM 316 CG ARG A 26 12.793 11.950 0.829 1.00 0.00 C ATOM 317 CD ARG A 26 13.901 11.325 1.663 1.00 0.00 C ATOM 318 NE ARG A 26 15.142 11.183 0.907 1.00 0.00 N ATOM 319 CZ ARG A 26 16.338 11.063 1.472 1.00 0.00 C ATOM 320 NH1 ARG A 26 16.454 11.066 2.793 1.00 0.00 N ATOM 321 NH2 ARG A 26 17.421 10.938 0.716 1.00 0.00 N ATOM 0 H ARG A 26 9.464 13.225 2.756 1.00 0.00 H new ATOM 0 HA ARG A 26 10.614 13.384 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.982 13.363 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.444 11.715 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.409 11.214 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.198 12.774 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.082 11.940 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.579 10.346 2.018 1.00 0.00 H new ATOM 0 HE ARG A 26 15.087 11.176 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.624 11.161 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.374 10.974 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.336 10.934 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.339 10.846 1.151 1.00 0.00 H new ATOM 335 N LEU A 27 9.226 10.658 1.337 1.00 0.00 N ATOM 336 CA LEU A 27 8.608 9.385 0.982 1.00 0.00 C ATOM 337 C LEU A 27 7.548 9.577 -0.097 1.00 0.00 C ATOM 338 O LEU A 27 7.000 10.667 -0.257 1.00 0.00 O ATOM 339 CB LEU A 27 7.983 8.737 2.218 1.00 0.00 C ATOM 340 CG LEU A 27 7.568 7.272 2.071 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.770 6.410 1.719 1.00 0.00 C ATOM 342 CD2 LEU A 27 6.907 6.774 3.348 1.00 0.00 C ATOM 0 H LEU A 27 9.208 10.872 2.334 1.00 0.00 H new ATOM 0 HA LEU A 27 9.385 8.729 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.694 8.812 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.104 9.316 2.502 1.00 0.00 H new ATOM 0 HG LEU A 27 6.844 7.199 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.456 5.371 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.200 6.752 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.517 6.488 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.618 5.730 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.608 6.861 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.021 7.373 3.557 1.00 0.00 H new ATOM 354 N SER A 28 7.261 8.509 -0.835 1.00 0.00 N ATOM 355 CA SER A 28 6.267 8.559 -1.900 1.00 0.00 C ATOM 356 C SER A 28 5.281 7.402 -1.779 1.00 0.00 C ATOM 357 O SER A 28 5.509 6.455 -1.025 1.00 0.00 O ATOM 358 CB SER A 28 6.952 8.520 -3.268 1.00 0.00 C ATOM 359 OG SER A 28 7.619 9.740 -3.540 1.00 0.00 O ATOM 0 H SER A 28 7.704 7.598 -0.714 1.00 0.00 H new ATOM 0 HA SER A 28 5.715 9.494 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.666 7.697 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.211 8.326 -4.044 1.00 0.00 H new ATOM 0 HG SER A 28 8.050 9.688 -4.419 1.00 0.00 H new ATOM 365 N ILE A 29 4.185 7.485 -2.525 1.00 0.00 N ATOM 366 CA ILE A 29 3.165 6.445 -2.503 1.00 0.00 C ATOM 367 C ILE A 29 3.736 5.105 -2.952 1.00 0.00 C ATOM 368 O ILE A 29 3.282 4.047 -2.515 1.00 0.00 O ATOM 369 CB ILE A 29 1.970 6.809 -3.404 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.932 5.684 -3.391 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.441 7.086 -4.823 1.00 0.00 C ATOM 372 CD1 ILE A 29 0.164 5.585 -2.092 1.00 0.00 C ATOM 0 H ILE A 29 3.981 8.263 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 29 2.821 6.363 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 29 1.503 7.714 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.228 5.841 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.434 4.735 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.585 7.342 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.146 7.917 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.930 6.198 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.553 4.767 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.858 5.397 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.367 6.520 -1.911 1.00 0.00 H new ATOM 384 N ARG A 30 4.736 5.157 -3.826 1.00 0.00 N ATOM 385 CA ARG A 30 5.370 3.947 -4.335 1.00 0.00 C ATOM 386 C ARG A 30 6.262 3.313 -3.271 1.00 0.00 C ATOM 387 O ARG A 30 5.994 2.207 -2.801 1.00 0.00 O ATOM 388 CB ARG A 30 6.194 4.263 -5.584 1.00 0.00 C ATOM 389 CG ARG A 30 5.349 4.586 -6.805 1.00 0.00 C ATOM 390 CD ARG A 30 6.157 5.320 -7.864 1.00 0.00 C ATOM 391 NE ARG A 30 6.134 6.767 -7.665 1.00 0.00 N ATOM 392 CZ ARG A 30 5.129 7.546 -8.048 1.00 0.00 C ATOM 393 NH1 ARG A 30 4.070 7.020 -8.648 1.00 0.00 N ATOM 394 NH2 ARG A 30 5.182 8.854 -7.832 1.00 0.00 N ATOM 0 H ARG A 30 5.125 6.024 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 30 4.585 3.238 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.849 5.108 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.835 3.411 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.949 3.664 -7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.497 5.197 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.188 4.967 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.760 5.084 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 30 6.934 7.203 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.026 6.015 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.299 7.620 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.995 9.262 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.409 9.451 -8.127 1.00 0.00 H new ATOM 408 N ASP A 31 7.323 4.020 -2.898 1.00 0.00 N ATOM 409 CA ASP A 31 8.254 3.527 -1.890 1.00 0.00 C ATOM 410 C ASP A 31 7.507 2.853 -0.743 1.00 0.00 C ATOM 411 O ASP A 31 7.986 1.876 -0.166 1.00 0.00 O ATOM 412 CB ASP A 31 9.111 4.675 -1.353 1.00 0.00 C ATOM 413 CG ASP A 31 10.222 5.064 -2.308 1.00 0.00 C ATOM 414 OD1 ASP A 31 10.858 4.155 -2.882 1.00 0.00 O ATOM 415 OD2 ASP A 31 10.455 6.279 -2.483 1.00 0.00 O ATOM 0 H ASP A 31 7.560 4.936 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 31 8.903 2.788 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.477 5.541 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.544 4.384 -0.396 1.00 0.00 H new ATOM 420 N HIS A 32 6.332 3.382 -0.417 1.00 0.00 N ATOM 421 CA HIS A 32 5.519 2.832 0.662 1.00 0.00 C ATOM 422 C HIS A 32 4.880 1.512 0.241 1.00 0.00 C ATOM 423 O HIS A 32 5.250 0.447 0.736 1.00 0.00 O ATOM 424 CB HIS A 32 4.435 3.829 1.072 1.00 0.00 C ATOM 425 CG HIS A 32 3.506 3.306 2.123 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.905 3.047 3.418 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.190 2.994 2.067 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.874 2.597 4.111 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.821 2.556 3.315 1.00 0.00 N ATOM 0 H HIS A 32 5.922 4.190 -0.884 1.00 0.00 H new ATOM 0 HA HIS A 32 6.170 2.645 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.910 4.739 1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.855 4.105 0.191 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.848 3.182 3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.549 3.075 1.201 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.890 2.311 5.152 1.00 0.00 H new ATOM 437 N ILE A 33 3.919 1.591 -0.673 1.00 0.00 N ATOM 438 CA ILE A 33 3.230 0.402 -1.160 1.00 0.00 C ATOM 439 C ILE A 33 4.222 -0.674 -1.585 1.00 0.00 C ATOM 440 O ILE A 33 3.895 -1.861 -1.611 1.00 0.00 O ATOM 441 CB ILE A 33 2.308 0.733 -2.349 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.137 1.183 -3.554 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.305 1.808 -1.958 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.298 1.617 -4.736 1.00 0.00 C ATOM 0 H ILE A 33 3.600 2.465 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 33 2.625 0.028 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 33 1.758 -0.166 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.782 2.009 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.789 0.366 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.661 2.031 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.697 1.453 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.837 2.711 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.951 1.923 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.672 0.786 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.665 2.455 -4.445 1.00 0.00 H new ATOM 456 N PHE A 34 5.438 -0.253 -1.916 1.00 0.00 N ATOM 457 CA PHE A 34 6.481 -1.181 -2.339 1.00 0.00 C ATOM 458 C PHE A 34 7.243 -1.727 -1.135 1.00 0.00 C ATOM 459 O PHE A 34 8.407 -2.113 -1.248 1.00 0.00 O ATOM 460 CB PHE A 34 7.450 -0.489 -3.300 1.00 0.00 C ATOM 461 CG PHE A 34 7.051 -0.610 -4.743 1.00 0.00 C ATOM 462 CD1 PHE A 34 7.467 -1.692 -5.502 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.260 0.358 -5.341 1.00 0.00 C ATOM 464 CE1 PHE A 34 7.102 -1.806 -6.830 1.00 0.00 C ATOM 465 CE2 PHE A 34 5.891 0.249 -6.668 1.00 0.00 C ATOM 466 CZ PHE A 34 6.312 -0.834 -7.414 1.00 0.00 C ATOM 0 H PHE A 34 5.726 0.725 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 34 6.004 -2.015 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.518 0.567 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.445 -0.915 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.084 -2.455 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.928 1.208 -4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.434 -2.654 -7.411 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.274 1.010 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.025 -0.921 -8.451 1.00 0.00 H new ATOM 476 N SER A 35 6.579 -1.756 0.016 1.00 0.00 N ATOM 477 CA SER A 35 7.195 -2.250 1.241 1.00 0.00 C ATOM 478 C SER A 35 6.215 -3.111 2.033 1.00 0.00 C ATOM 479 O SER A 35 5.000 -2.941 1.932 1.00 0.00 O ATOM 480 CB SER A 35 7.676 -1.081 2.103 1.00 0.00 C ATOM 481 OG SER A 35 8.597 -1.518 3.087 1.00 0.00 O ATOM 0 H SER A 35 5.614 -1.443 0.125 1.00 0.00 H new ATOM 0 HA SER A 35 8.052 -2.865 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.145 -0.328 1.470 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.822 -0.605 2.585 1.00 0.00 H new ATOM 0 HG SER A 35 8.891 -0.752 3.623 1.00 0.00 H new ATOM 487 N LYS A 36 6.753 -4.036 2.821 1.00 0.00 N ATOM 488 CA LYS A 36 5.928 -4.924 3.632 1.00 0.00 C ATOM 489 C LYS A 36 4.931 -4.128 4.467 1.00 0.00 C ATOM 490 O LYS A 36 3.747 -4.462 4.520 1.00 0.00 O ATOM 491 CB LYS A 36 6.809 -5.778 4.546 1.00 0.00 C ATOM 492 CG LYS A 36 6.025 -6.736 5.425 1.00 0.00 C ATOM 493 CD LYS A 36 5.357 -7.826 4.603 1.00 0.00 C ATOM 494 CE LYS A 36 6.326 -8.952 4.278 1.00 0.00 C ATOM 495 NZ LYS A 36 6.357 -9.985 5.351 1.00 0.00 N ATOM 0 H LYS A 36 7.757 -4.190 2.915 1.00 0.00 H new ATOM 0 HA LYS A 36 5.372 -5.578 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.507 -6.349 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.404 -5.121 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.693 -7.189 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.268 -6.184 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.504 -8.226 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.970 -7.400 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.039 -9.417 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.326 -8.542 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.029 -10.735 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.655 -9.547 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.408 -10.395 5.466 1.00 0.00 H new ATOM 509 N GLN A 37 5.417 -3.075 5.116 1.00 0.00 N ATOM 510 CA GLN A 37 4.566 -2.232 5.948 1.00 0.00 C ATOM 511 C GLN A 37 3.183 -2.071 5.325 1.00 0.00 C ATOM 512 O GLN A 37 2.165 -2.195 6.007 1.00 0.00 O ATOM 513 CB GLN A 37 5.212 -0.860 6.149 1.00 0.00 C ATOM 514 CG GLN A 37 5.114 0.042 4.930 1.00 0.00 C ATOM 515 CD GLN A 37 5.920 1.317 5.081 1.00 0.00 C ATOM 516 OE1 GLN A 37 6.880 1.549 4.345 1.00 0.00 O ATOM 517 NE2 GLN A 37 5.534 2.152 6.038 1.00 0.00 N ATOM 0 H GLN A 37 6.394 -2.785 5.082 1.00 0.00 H new ATOM 0 HA GLN A 37 4.453 -2.717 6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.738 -0.365 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.262 -0.996 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.462 -0.502 4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.069 0.296 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.733 1.920 6.625 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.039 3.026 6.186 1.00 0.00 H new ATOM 526 N HIS A 38 3.154 -1.793 4.026 1.00 0.00 N ATOM 527 CA HIS A 38 1.896 -1.614 3.310 1.00 0.00 C ATOM 528 C HIS A 38 1.228 -2.959 3.041 1.00 0.00 C ATOM 529 O HIS A 38 0.087 -3.188 3.443 1.00 0.00 O ATOM 530 CB HIS A 38 2.134 -0.877 1.992 1.00 0.00 C ATOM 531 CG HIS A 38 0.913 -0.780 1.131 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.043 0.289 1.178 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.419 -1.624 0.196 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.935 0.097 0.310 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.730 -1.057 -0.299 1.00 0.00 N ATOM 0 H HIS A 38 3.987 -1.687 3.447 1.00 0.00 H new ATOM 0 HA HIS A 38 1.233 -1.017 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.497 0.128 2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.921 -1.388 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.848 -2.568 -0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.761 0.769 0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.328 -1.461 -1.020 1.00 0.00 H new ATOM 543 N ILE A 39 1.947 -3.845 2.359 1.00 0.00 N ATOM 544 CA ILE A 39 1.423 -5.167 2.038 1.00 0.00 C ATOM 545 C ILE A 39 0.656 -5.756 3.216 1.00 0.00 C ATOM 546 O ILE A 39 -0.523 -6.091 3.098 1.00 0.00 O ATOM 547 CB ILE A 39 2.551 -6.137 1.637 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.072 -5.798 0.239 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.057 -7.574 1.691 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.219 -4.812 0.244 1.00 0.00 C ATOM 0 H ILE A 39 2.893 -3.671 2.019 1.00 0.00 H new ATOM 0 HA ILE A 39 0.745 -5.041 1.194 1.00 0.00 H new ATOM 0 HB ILE A 39 3.372 -6.029 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.395 -6.716 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.255 -5.389 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.865 -8.247 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.730 -7.809 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.221 -7.697 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.537 -4.618 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.895 -3.879 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.053 -5.227 0.810 1.00 0.00 H new ATOM 562 N SER A 40 1.332 -5.879 4.354 1.00 0.00 N ATOM 563 CA SER A 40 0.714 -6.429 5.555 1.00 0.00 C ATOM 564 C SER A 40 -0.734 -5.967 5.682 1.00 0.00 C ATOM 565 O SER A 40 -1.655 -6.781 5.751 1.00 0.00 O ATOM 566 CB SER A 40 1.505 -6.014 6.797 1.00 0.00 C ATOM 567 OG SER A 40 1.084 -6.743 7.937 1.00 0.00 O ATOM 0 H SER A 40 2.308 -5.605 4.469 1.00 0.00 H new ATOM 0 HA SER A 40 0.724 -7.516 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.569 -6.181 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.374 -4.947 6.975 1.00 0.00 H new ATOM 0 HG SER A 40 1.606 -6.461 8.717 1.00 0.00 H new ATOM 573 N LYS A 41 -0.928 -4.653 5.712 1.00 0.00 N ATOM 574 CA LYS A 41 -2.263 -4.078 5.829 1.00 0.00 C ATOM 575 C LYS A 41 -3.169 -4.572 4.706 1.00 0.00 C ATOM 576 O LYS A 41 -4.363 -4.792 4.909 1.00 0.00 O ATOM 577 CB LYS A 41 -2.187 -2.550 5.803 1.00 0.00 C ATOM 578 CG LYS A 41 -3.315 -1.872 6.561 1.00 0.00 C ATOM 579 CD LYS A 41 -3.172 -2.063 8.062 1.00 0.00 C ATOM 580 CE LYS A 41 -2.278 -0.996 8.676 1.00 0.00 C ATOM 581 NZ LYS A 41 -1.629 -1.471 9.930 1.00 0.00 N ATOM 0 H LYS A 41 -0.177 -3.965 5.657 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.687 -4.398 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.234 -2.235 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.202 -2.211 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.323 -0.807 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.272 -2.277 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.156 -2.028 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.756 -3.050 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.511 -0.707 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.869 -0.105 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.028 -0.716 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.360 -1.723 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.045 -2.306 9.724 1.00 0.00 H new ATOM 595 N VAL A 42 -2.592 -4.747 3.521 1.00 0.00 N ATOM 596 CA VAL A 42 -3.347 -5.218 2.366 1.00 0.00 C ATOM 597 C VAL A 42 -3.782 -6.668 2.547 1.00 0.00 C ATOM 598 O VAL A 42 -4.828 -7.080 2.046 1.00 0.00 O ATOM 599 CB VAL A 42 -2.523 -5.099 1.070 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.324 -5.603 -0.121 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.076 -3.661 0.853 1.00 0.00 C ATOM 0 H VAL A 42 -1.605 -4.570 3.336 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.230 -4.584 2.286 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.633 -5.721 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.725 -5.511 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.588 -6.649 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.233 -5.011 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.495 -3.595 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.951 -3.016 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.461 -3.340 1.694 1.00 0.00 H new ATOM 611 N ARG A 43 -2.972 -7.437 3.268 1.00 0.00 N ATOM 612 CA ARG A 43 -3.273 -8.842 3.515 1.00 0.00 C ATOM 613 C ARG A 43 -4.320 -8.988 4.616 1.00 0.00 C ATOM 614 O ARG A 43 -5.113 -9.929 4.608 1.00 0.00 O ATOM 615 CB ARG A 43 -2.000 -9.597 3.904 1.00 0.00 C ATOM 616 CG ARG A 43 -0.990 -9.710 2.774 1.00 0.00 C ATOM 617 CD ARG A 43 0.177 -10.606 3.158 1.00 0.00 C ATOM 618 NE ARG A 43 1.038 -9.983 4.161 1.00 0.00 N ATOM 619 CZ ARG A 43 1.827 -10.669 4.980 1.00 0.00 C ATOM 620 NH1 ARG A 43 1.866 -11.993 4.915 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.581 -10.031 5.866 1.00 0.00 N ATOM 0 H ARG A 43 -2.103 -7.111 3.691 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.675 -9.269 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.532 -9.092 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.270 -10.598 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.479 -10.109 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.619 -8.718 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.204 -11.552 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.764 -10.837 2.269 1.00 0.00 H new ATOM 0 HE ARG A 43 1.033 -8.966 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.289 -12.487 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.473 -12.517 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.555 -9.013 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.187 -10.559 6.495 1.00 0.00 H new ATOM 635 N GLU A 44 -4.315 -8.052 5.559 1.00 0.00 N ATOM 636 CA GLU A 44 -5.263 -8.078 6.666 1.00 0.00 C ATOM 637 C GLU A 44 -6.607 -7.490 6.245 1.00 0.00 C ATOM 638 O GLU A 44 -7.663 -8.050 6.539 1.00 0.00 O ATOM 639 CB GLU A 44 -4.707 -7.303 7.862 1.00 0.00 C ATOM 640 CG GLU A 44 -3.480 -7.945 8.486 1.00 0.00 C ATOM 641 CD GLU A 44 -3.827 -9.121 9.379 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.899 -9.085 10.018 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.025 -10.077 9.438 1.00 0.00 O ATOM 0 H GLU A 44 -3.665 -7.266 5.579 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.415 -9.118 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.455 -6.292 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.485 -7.214 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.808 -8.280 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.940 -7.198 9.068 1.00 0.00 H new ATOM 650 N THR A 45 -6.559 -6.355 5.555 1.00 0.00 N ATOM 651 CA THR A 45 -7.771 -5.688 5.094 1.00 0.00 C ATOM 652 C THR A 45 -8.750 -6.686 4.487 1.00 0.00 C ATOM 653 O THR A 45 -9.966 -6.509 4.572 1.00 0.00 O ATOM 654 CB THR A 45 -7.452 -4.600 4.052 1.00 0.00 C ATOM 655 OG1 THR A 45 -8.578 -3.729 3.893 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.094 -5.223 2.711 1.00 0.00 C ATOM 0 H THR A 45 -5.693 -5.878 5.303 1.00 0.00 H new ATOM 0 HA THR A 45 -8.227 -5.221 5.967 1.00 0.00 H new ATOM 0 HB THR A 45 -6.596 -4.027 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.367 -3.039 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.873 -4.435 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.219 -5.863 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.933 -5.818 2.351 1.00 0.00 H new ATOM 664 N VAL A 46 -8.214 -7.737 3.874 1.00 0.00 N ATOM 665 CA VAL A 46 -9.041 -8.765 3.254 1.00 0.00 C ATOM 666 C VAL A 46 -8.794 -10.128 3.891 1.00 0.00 C ATOM 667 O VAL A 46 -9.730 -10.882 4.152 1.00 0.00 O ATOM 668 CB VAL A 46 -8.774 -8.862 1.740 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.292 -9.074 1.471 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.601 -9.981 1.124 1.00 0.00 C ATOM 0 H VAL A 46 -7.210 -7.899 3.794 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.079 -8.475 3.415 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.072 -7.922 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.123 -9.140 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.725 -8.236 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.964 -9.998 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.400 -10.035 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.336 -10.929 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.660 -9.781 1.284 1.00 0.00 H new ATOM 680 N GLY A 47 -7.525 -10.437 4.140 1.00 0.00 N ATOM 681 CA GLY A 47 -7.177 -11.709 4.745 1.00 0.00 C ATOM 682 C GLY A 47 -7.949 -12.868 4.145 1.00 0.00 C ATOM 683 O GLY A 47 -9.059 -13.174 4.580 1.00 0.00 O ATOM 0 H GLY A 47 -6.732 -9.829 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.109 -11.886 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.371 -11.663 5.817 1.00 0.00 H new ATOM 687 N SER A 48 -7.361 -13.513 3.143 1.00 0.00 N ATOM 688 CA SER A 48 -8.004 -14.640 2.478 1.00 0.00 C ATOM 689 C SER A 48 -8.270 -15.773 3.465 1.00 0.00 C ATOM 690 O SER A 48 -7.339 -16.380 3.995 1.00 0.00 O ATOM 691 CB SER A 48 -7.132 -15.146 1.328 1.00 0.00 C ATOM 692 OG SER A 48 -5.859 -15.556 1.795 1.00 0.00 O ATOM 0 H SER A 48 -6.441 -13.275 2.774 1.00 0.00 H new ATOM 0 HA SER A 48 -8.958 -14.297 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.627 -15.981 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.013 -14.358 0.584 1.00 0.00 H new ATOM 0 HG SER A 48 -5.951 -15.961 2.683 1.00 0.00 H new ATOM 698 N GLN A 49 -9.547 -16.051 3.707 1.00 0.00 N ATOM 699 CA GLN A 49 -9.936 -17.110 4.631 1.00 0.00 C ATOM 700 C GLN A 49 -9.116 -18.372 4.389 1.00 0.00 C ATOM 701 O GLN A 49 -9.074 -18.894 3.274 1.00 0.00 O ATOM 702 CB GLN A 49 -11.427 -17.420 4.486 1.00 0.00 C ATOM 703 CG GLN A 49 -12.329 -16.403 5.165 1.00 0.00 C ATOM 704 CD GLN A 49 -13.785 -16.826 5.171 1.00 0.00 C ATOM 705 OE1 GLN A 49 -14.126 -17.912 5.640 1.00 0.00 O ATOM 706 NE2 GLN A 49 -14.653 -15.968 4.648 1.00 0.00 N ATOM 0 H GLN A 49 -10.329 -15.558 3.276 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.742 -16.762 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.679 -17.466 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.627 -18.407 4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.994 -16.254 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.236 -15.443 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.326 -15.079 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.646 -16.198 4.624 1.00 0.00 H new ATOM 715 N LEU A 50 -8.465 -18.859 5.439 1.00 0.00 N ATOM 716 CA LEU A 50 -7.644 -20.061 5.341 1.00 0.00 C ATOM 717 C LEU A 50 -8.472 -21.310 5.626 1.00 0.00 C ATOM 718 O LEU A 50 -9.583 -21.224 6.151 1.00 0.00 O ATOM 719 CB LEU A 50 -6.468 -19.981 6.316 1.00 0.00 C ATOM 720 CG LEU A 50 -5.291 -19.110 5.878 1.00 0.00 C ATOM 721 CD1 LEU A 50 -4.520 -18.606 7.088 1.00 0.00 C ATOM 722 CD2 LEU A 50 -4.373 -19.884 4.943 1.00 0.00 C ATOM 0 H LEU A 50 -8.489 -18.440 6.369 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.259 -20.127 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.838 -19.604 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.100 -20.991 6.494 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.683 -18.248 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.686 -17.988 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.182 -18.014 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.139 -19.455 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.541 -19.248 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.989 -20.765 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.931 -20.194 4.060 1.00 0.00 H new ATOM 734 N ASP A 51 -7.924 -22.469 5.279 1.00 0.00 N ATOM 735 CA ASP A 51 -8.610 -23.737 5.501 1.00 0.00 C ATOM 736 C ASP A 51 -8.558 -24.133 6.973 1.00 0.00 C ATOM 737 O ASP A 51 -7.587 -23.839 7.671 1.00 0.00 O ATOM 738 CB ASP A 51 -7.985 -24.837 4.641 1.00 0.00 C ATOM 739 CG ASP A 51 -6.506 -25.020 4.922 1.00 0.00 C ATOM 740 OD1 ASP A 51 -6.164 -25.438 6.047 1.00 0.00 O ATOM 741 OD2 ASP A 51 -5.691 -24.745 4.016 1.00 0.00 O ATOM 0 H ASP A 51 -7.006 -22.557 4.843 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.654 -23.612 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.506 -25.777 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.125 -24.594 3.588 1.00 0.00 H new ATOM 746 N ARG A 52 -9.608 -24.800 7.439 1.00 0.00 N ATOM 747 CA ARG A 52 -9.683 -25.234 8.828 1.00 0.00 C ATOM 748 C ARG A 52 -8.365 -25.860 9.274 1.00 0.00 C ATOM 749 O ARG A 52 -7.810 -26.716 8.586 1.00 0.00 O ATOM 750 CB ARG A 52 -10.824 -26.237 9.011 1.00 0.00 C ATOM 751 CG ARG A 52 -11.222 -26.448 10.463 1.00 0.00 C ATOM 752 CD ARG A 52 -10.421 -27.572 11.102 1.00 0.00 C ATOM 753 NE ARG A 52 -11.125 -28.170 12.233 1.00 0.00 N ATOM 754 CZ ARG A 52 -10.836 -29.370 12.727 1.00 0.00 C ATOM 755 NH1 ARG A 52 -9.863 -30.094 12.191 1.00 0.00 N ATOM 756 NH2 ARG A 52 -11.521 -29.846 13.758 1.00 0.00 N ATOM 0 H ARG A 52 -10.419 -25.052 6.874 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.877 -24.357 9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.693 -25.892 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.528 -27.194 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.066 -25.525 11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.286 -26.680 10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.215 -28.340 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.458 -27.186 11.437 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.879 -27.638 12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.334 -29.731 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.643 -31.014 12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.270 -29.291 14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.299 -30.767 14.137 1.00 0.00 H new ATOM 770 N GLU A 53 -7.870 -25.427 10.429 1.00 0.00 N ATOM 771 CA GLU A 53 -6.617 -25.944 10.965 1.00 0.00 C ATOM 772 C GLU A 53 -6.819 -26.519 12.364 1.00 0.00 C ATOM 773 O GLU A 53 -6.586 -27.705 12.600 1.00 0.00 O ATOM 774 CB GLU A 53 -5.558 -24.840 11.003 1.00 0.00 C ATOM 775 CG GLU A 53 -4.205 -25.312 11.508 1.00 0.00 C ATOM 776 CD GLU A 53 -3.526 -26.270 10.549 1.00 0.00 C ATOM 777 OE1 GLU A 53 -3.165 -25.837 9.435 1.00 0.00 O ATOM 778 OE2 GLU A 53 -3.357 -27.453 10.912 1.00 0.00 O ATOM 0 H GLU A 53 -8.318 -24.719 11.011 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.274 -26.744 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.439 -24.428 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.912 -24.030 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.560 -24.448 11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.332 -25.800 12.474 1.00 0.00 H new ATOM 785 N LYS A 54 -7.253 -25.669 13.289 1.00 0.00 N ATOM 786 CA LYS A 54 -7.488 -26.090 14.665 1.00 0.00 C ATOM 787 C LYS A 54 -8.811 -25.537 15.185 1.00 0.00 C ATOM 788 O LYS A 54 -9.125 -24.363 14.985 1.00 0.00 O ATOM 789 CB LYS A 54 -6.340 -25.627 15.565 1.00 0.00 C ATOM 790 CG LYS A 54 -5.112 -26.517 15.489 1.00 0.00 C ATOM 791 CD LYS A 54 -5.362 -27.870 16.134 1.00 0.00 C ATOM 792 CE LYS A 54 -4.146 -28.776 16.020 1.00 0.00 C ATOM 793 NZ LYS A 54 -4.382 -30.104 16.651 1.00 0.00 N ATOM 0 H LYS A 54 -7.449 -24.684 13.110 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.538 -27.179 14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.060 -24.611 15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.690 -25.592 16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.827 -26.657 14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.275 -26.026 15.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.616 -27.732 17.185 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.219 -28.348 15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.893 -28.913 14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.290 -28.296 16.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.530 -30.692 16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.599 -29.975 17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.183 -30.574 16.182 1.00 0.00 H new ATOM 807 N ASP A 55 -9.582 -26.388 15.852 1.00 0.00 N ATOM 808 CA ASP A 55 -10.870 -25.982 16.403 1.00 0.00 C ATOM 809 C ASP A 55 -11.011 -26.443 17.851 1.00 0.00 C ATOM 810 O ASP A 55 -10.980 -27.639 18.138 1.00 0.00 O ATOM 811 CB ASP A 55 -12.012 -26.553 15.560 1.00 0.00 C ATOM 812 CG ASP A 55 -12.286 -25.725 14.320 1.00 0.00 C ATOM 813 OD1 ASP A 55 -11.329 -25.132 13.779 1.00 0.00 O ATOM 814 OD2 ASP A 55 -13.457 -25.670 13.891 1.00 0.00 O ATOM 0 H ASP A 55 -9.338 -27.363 16.024 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.921 -24.893 16.380 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.767 -27.573 15.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.916 -26.605 16.166 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 0.017 1.635 2.790 1.00 0.00 ZN