USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 747 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 Set 1.1: A 72 ASN : amide:sc= -1.09 K(o=-1.3,f=-3.2!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.182 X(o=-1.3,f=-1.2) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -111:sc= 0.0389 (180deg=-0.097) USER MOD Set 2.2: A 65 GLN : amide:sc= -0.747 K(o=-0.71,f=-7.6!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 TYR OH : rot 30:sc= -0.062 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 23 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.2) USER MOD Set 5.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 11 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -129:sc= -0.272 (180deg=-0.488) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 39:sc= 0.653 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -151:sc= 0.00441 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00342 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.169 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0149 F(o=-0.67,f=-0.015) USER MOD Single : A 27 TYR OH : rot 143:sc= 1.25 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -143:sc= -0.526 (180deg=-3.58!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0.0399 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -55:sc= 0.852 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.226 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 0.244 (180deg=-0.143) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.24! C(o=-1.2!,f=-2.7!) USER MOD Single : A 67 CYS SG : rot 92:sc= 0.113 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0.0264 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.1 (180deg=-0.439) USER MOD Single : A 84 SER OG : rot -14:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 18.170 27.132 -4.442 1.00 0.00 N ATOM 2 CA GLY A -6 18.155 25.708 -4.723 1.00 0.00 C ATOM 3 C GLY A -6 17.231 24.944 -3.796 1.00 0.00 C ATOM 4 O GLY A -6 16.150 25.422 -3.453 1.00 0.00 O ATOM 0 H1 GLY A -6 18.377 27.656 -5.316 1.00 0.00 H new ATOM 0 H2 GLY A -6 17.242 27.423 -4.075 1.00 0.00 H new ATOM 0 H3 GLY A -6 18.903 27.338 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A -6 17.843 25.548 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A -6 19.166 25.312 -4.631 1.00 0.00 H new ATOM 8 N SER A -5 17.656 23.751 -3.391 1.00 0.00 N ATOM 9 CA SER A -5 16.856 22.916 -2.503 1.00 0.00 C ATOM 10 C SER A -5 17.729 21.882 -1.797 1.00 0.00 C ATOM 11 O SER A -5 18.533 21.198 -2.429 1.00 0.00 O ATOM 12 CB SER A -5 15.748 22.213 -3.289 1.00 0.00 C ATOM 13 OG SER A -5 14.790 21.638 -2.418 1.00 0.00 O ATOM 0 H SER A -5 18.549 23.341 -3.664 1.00 0.00 H new ATOM 0 HA SER A -5 16.404 23.560 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A -5 15.259 22.927 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A -5 16.182 21.437 -3.920 1.00 0.00 H new ATOM 0 HG SER A -5 14.092 21.196 -2.945 1.00 0.00 H new ATOM 19 N SER A -4 17.563 21.776 -0.483 1.00 0.00 N ATOM 20 CA SER A -4 18.338 20.829 0.311 1.00 0.00 C ATOM 21 C SER A -4 17.419 19.869 1.061 1.00 0.00 C ATOM 22 O SER A -4 16.377 20.268 1.580 1.00 0.00 O ATOM 23 CB SER A -4 19.234 21.574 1.302 1.00 0.00 C ATOM 24 OG SER A -4 18.462 22.331 2.218 1.00 0.00 O ATOM 0 H SER A -4 16.899 22.334 0.055 1.00 0.00 H new ATOM 0 HA SER A -4 18.963 20.250 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A -4 19.852 20.860 1.846 1.00 0.00 H new ATOM 0 HB3 SER A -4 19.911 22.234 0.760 1.00 0.00 H new ATOM 0 HG SER A -4 19.058 22.796 2.842 1.00 0.00 H new ATOM 30 N GLY A -3 17.814 18.601 1.114 1.00 0.00 N ATOM 31 CA GLY A -3 17.016 17.603 1.803 1.00 0.00 C ATOM 32 C GLY A -3 17.800 16.342 2.107 1.00 0.00 C ATOM 33 O GLY A -3 17.635 15.323 1.437 1.00 0.00 O ATOM 0 H GLY A -3 18.672 18.247 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A -3 16.637 18.025 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A -3 16.150 17.350 1.192 1.00 0.00 H new ATOM 37 N SER A -2 18.657 16.411 3.121 1.00 0.00 N ATOM 38 CA SER A -2 19.474 15.267 3.509 1.00 0.00 C ATOM 39 C SER A -2 18.652 13.982 3.496 1.00 0.00 C ATOM 40 O SER A -2 17.812 13.761 4.368 1.00 0.00 O ATOM 41 CB SER A -2 20.072 15.489 4.900 1.00 0.00 C ATOM 42 OG SER A -2 19.056 15.708 5.863 1.00 0.00 O ATOM 0 H SER A -2 18.803 17.246 3.688 1.00 0.00 H new ATOM 0 HA SER A -2 20.283 15.168 2.785 1.00 0.00 H new ATOM 0 HB2 SER A -2 20.667 14.622 5.186 1.00 0.00 H new ATOM 0 HB3 SER A -2 20.746 16.345 4.877 1.00 0.00 H new ATOM 0 HG SER A -2 18.295 15.121 5.675 1.00 0.00 H new ATOM 48 N SER A -1 18.900 13.138 2.499 1.00 0.00 N ATOM 49 CA SER A -1 18.180 11.877 2.369 1.00 0.00 C ATOM 50 C SER A -1 19.136 10.739 2.023 1.00 0.00 C ATOM 51 O SER A -1 19.749 10.731 0.956 1.00 0.00 O ATOM 52 CB SER A -1 17.097 11.992 1.295 1.00 0.00 C ATOM 53 OG SER A -1 16.029 11.095 1.550 1.00 0.00 O ATOM 0 H SER A -1 19.594 13.305 1.770 1.00 0.00 H new ATOM 0 HA SER A -1 17.710 11.655 3.327 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.718 13.014 1.264 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.527 11.781 0.316 1.00 0.00 H new ATOM 0 HG SER A -1 15.349 11.189 0.851 1.00 0.00 H new ATOM 59 N GLY A 0 19.258 9.779 2.934 1.00 0.00 N ATOM 60 CA GLY A 0 20.141 8.649 2.708 1.00 0.00 C ATOM 61 C GLY A 0 19.427 7.319 2.843 1.00 0.00 C ATOM 62 O GLY A 0 18.469 7.046 2.121 1.00 0.00 O ATOM 0 H GLY A 0 18.761 9.763 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.575 8.725 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 0 20.966 8.689 3.419 1.00 0.00 H new ATOM 66 N MET A 1 19.895 6.489 3.769 1.00 0.00 N ATOM 67 CA MET A 1 19.295 5.180 3.996 1.00 0.00 C ATOM 68 C MET A 1 18.086 5.289 4.920 1.00 0.00 C ATOM 69 O MET A 1 17.021 4.742 4.632 1.00 0.00 O ATOM 70 CB MET A 1 20.324 4.219 4.594 1.00 0.00 C ATOM 71 CG MET A 1 20.877 4.678 5.934 1.00 0.00 C ATOM 72 SD MET A 1 22.452 3.899 6.339 1.00 0.00 S ATOM 73 CE MET A 1 23.582 4.902 5.377 1.00 0.00 C ATOM 0 H MET A 1 20.688 6.700 4.375 1.00 0.00 H new ATOM 0 HA MET A 1 18.961 4.790 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.865 3.238 4.716 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.149 4.099 3.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.005 5.760 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.153 4.454 6.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.601 4.543 5.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.321 4.834 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.513 5.940 5.701 1.00 0.00 H new ATOM 83 N SER A 2 18.259 5.997 6.031 1.00 0.00 N ATOM 84 CA SER A 2 17.183 6.174 7.000 1.00 0.00 C ATOM 85 C SER A 2 17.330 7.500 7.739 1.00 0.00 C ATOM 86 O SER A 2 18.293 8.236 7.531 1.00 0.00 O ATOM 87 CB SER A 2 17.175 5.017 8.002 1.00 0.00 C ATOM 88 OG SER A 2 16.858 3.792 7.364 1.00 0.00 O ATOM 0 H SER A 2 19.134 6.457 6.283 1.00 0.00 H new ATOM 0 HA SER A 2 16.237 6.183 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.151 4.939 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.449 5.219 8.790 1.00 0.00 H new ATOM 0 HG SER A 2 16.861 3.069 8.025 1.00 0.00 H new ATOM 94 N GLY A 3 16.365 7.799 8.604 1.00 0.00 N ATOM 95 CA GLY A 3 16.405 9.036 9.361 1.00 0.00 C ATOM 96 C GLY A 3 15.102 9.316 10.084 1.00 0.00 C ATOM 97 O GLY A 3 14.617 8.483 10.849 1.00 0.00 O ATOM 0 H GLY A 3 15.557 7.206 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 3 17.217 8.988 10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.628 9.863 8.688 1.00 0.00 H new ATOM 101 N GLY A 4 14.533 10.493 9.841 1.00 0.00 N ATOM 102 CA GLY A 4 13.284 10.860 10.483 1.00 0.00 C ATOM 103 C GLY A 4 12.124 10.911 9.509 1.00 0.00 C ATOM 104 O GLY A 4 11.877 11.942 8.881 1.00 0.00 O ATOM 0 H GLY A 4 14.915 11.199 9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.060 10.142 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.397 11.834 10.960 1.00 0.00 H new ATOM 108 N LEU A 5 11.412 9.798 9.380 1.00 0.00 N ATOM 109 CA LEU A 5 10.272 9.719 8.473 1.00 0.00 C ATOM 110 C LEU A 5 9.049 10.405 9.074 1.00 0.00 C ATOM 111 O LEU A 5 8.816 10.333 10.281 1.00 0.00 O ATOM 112 CB LEU A 5 9.947 8.258 8.156 1.00 0.00 C ATOM 113 CG LEU A 5 8.603 8.003 7.472 1.00 0.00 C ATOM 114 CD1 LEU A 5 8.653 6.717 6.661 1.00 0.00 C ATOM 115 CD2 LEU A 5 7.484 7.944 8.501 1.00 0.00 C ATOM 0 H LEU A 5 11.604 8.937 9.892 1.00 0.00 H new ATOM 0 HA LEU A 5 10.538 10.234 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.737 7.861 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.972 7.691 9.086 1.00 0.00 H new ATOM 0 HG LEU A 5 8.400 8.830 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.688 6.552 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.428 6.797 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.879 5.879 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.535 7.762 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.681 7.137 9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.433 8.891 9.038 1.00 0.00 H new ATOM 127 N ALA A 6 8.270 11.067 8.225 1.00 0.00 N ATOM 128 CA ALA A 6 7.069 11.761 8.672 1.00 0.00 C ATOM 129 C ALA A 6 5.864 11.375 7.822 1.00 0.00 C ATOM 130 O ALA A 6 5.964 11.185 6.609 1.00 0.00 O ATOM 131 CB ALA A 6 7.285 13.267 8.633 1.00 0.00 C ATOM 0 H ALA A 6 8.449 11.137 7.223 1.00 0.00 H new ATOM 0 HA ALA A 6 6.866 11.461 9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.380 13.773 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.114 13.533 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.515 13.575 7.613 1.00 0.00 H new ATOM 137 N PRO A 7 4.696 11.256 8.470 1.00 0.00 N ATOM 138 CA PRO A 7 3.448 10.891 7.792 1.00 0.00 C ATOM 139 C PRO A 7 2.939 12.001 6.878 1.00 0.00 C ATOM 140 O PRO A 7 3.559 13.058 6.765 1.00 0.00 O ATOM 141 CB PRO A 7 2.471 10.660 8.948 1.00 0.00 C ATOM 142 CG PRO A 7 3.007 11.484 10.067 1.00 0.00 C ATOM 143 CD PRO A 7 4.503 11.467 9.914 1.00 0.00 C ATOM 0 HA PRO A 7 3.575 10.024 7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.460 10.967 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.422 9.606 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.622 12.503 10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.709 11.074 11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.952 12.403 10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.958 10.669 10.501 1.00 0.00 H new ATOM 151 N SER A 8 1.806 11.753 6.229 1.00 0.00 N ATOM 152 CA SER A 8 1.215 12.730 5.322 1.00 0.00 C ATOM 153 C SER A 8 -0.165 12.276 4.857 1.00 0.00 C ATOM 154 O SER A 8 -0.562 11.132 5.080 1.00 0.00 O ATOM 155 CB SER A 8 2.126 12.951 4.113 1.00 0.00 C ATOM 156 OG SER A 8 2.302 11.751 3.381 1.00 0.00 O ATOM 0 H SER A 8 1.279 10.884 6.314 1.00 0.00 H new ATOM 0 HA SER A 8 1.105 13.670 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.697 13.716 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.095 13.322 4.447 1.00 0.00 H new ATOM 0 HG SER A 8 2.887 11.919 2.613 1.00 0.00 H new ATOM 162 N LYS A 9 -0.892 13.180 4.210 1.00 0.00 N ATOM 163 CA LYS A 9 -2.227 12.875 3.711 1.00 0.00 C ATOM 164 C LYS A 9 -2.190 11.696 2.744 1.00 0.00 C ATOM 165 O LYS A 9 -3.037 10.805 2.804 1.00 0.00 O ATOM 166 CB LYS A 9 -2.828 14.100 3.018 1.00 0.00 C ATOM 167 CG LYS A 9 -3.381 15.135 3.982 1.00 0.00 C ATOM 168 CD LYS A 9 -2.325 16.157 4.369 1.00 0.00 C ATOM 169 CE LYS A 9 -2.784 17.019 5.534 1.00 0.00 C ATOM 170 NZ LYS A 9 -2.881 16.237 6.798 1.00 0.00 N ATOM 0 H LYS A 9 -0.578 14.132 4.019 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.853 12.604 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.064 14.567 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.626 13.774 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.230 15.643 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.753 14.637 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.401 15.644 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.100 16.792 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.087 17.846 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.755 17.456 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.814 16.392 7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.760 15.225 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.138 16.547 7.456 1.00 0.00 H new ATOM 184 N SER A 10 -1.203 11.698 1.854 1.00 0.00 N ATOM 185 CA SER A 10 -1.058 10.630 0.872 1.00 0.00 C ATOM 186 C SER A 10 -1.045 9.264 1.552 1.00 0.00 C ATOM 187 O SER A 10 -1.847 8.388 1.229 1.00 0.00 O ATOM 188 CB SER A 10 0.228 10.822 0.064 1.00 0.00 C ATOM 189 OG SER A 10 0.338 12.153 -0.410 1.00 0.00 O ATOM 0 H SER A 10 -0.492 12.427 1.793 1.00 0.00 H new ATOM 0 HA SER A 10 -1.913 10.673 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.091 10.581 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.239 10.130 -0.778 1.00 0.00 H new ATOM 0 HG SER A 10 1.168 12.251 -0.921 1.00 0.00 H new ATOM 195 N THR A 11 -0.127 9.090 2.498 1.00 0.00 N ATOM 196 CA THR A 11 -0.007 7.832 3.224 1.00 0.00 C ATOM 197 C THR A 11 -1.378 7.239 3.527 1.00 0.00 C ATOM 198 O THR A 11 -2.319 7.961 3.857 1.00 0.00 O ATOM 199 CB THR A 11 0.762 8.017 4.546 1.00 0.00 C ATOM 200 OG1 THR A 11 1.995 8.705 4.303 1.00 0.00 O ATOM 201 CG2 THR A 11 1.046 6.674 5.199 1.00 0.00 C ATOM 0 H THR A 11 0.544 9.805 2.779 1.00 0.00 H new ATOM 0 HA THR A 11 0.548 7.149 2.581 1.00 0.00 H new ATOM 0 HB THR A 11 0.143 8.608 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.477 8.820 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.590 6.830 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.105 6.165 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.647 6.062 4.526 1.00 0.00 H new ATOM 209 N VAL A 12 -1.486 5.919 3.412 1.00 0.00 N ATOM 210 CA VAL A 12 -2.742 5.229 3.676 1.00 0.00 C ATOM 211 C VAL A 12 -2.578 4.189 4.779 1.00 0.00 C ATOM 212 O VAL A 12 -1.900 3.177 4.597 1.00 0.00 O ATOM 213 CB VAL A 12 -3.278 4.536 2.409 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.619 3.874 2.688 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.395 5.533 1.266 1.00 0.00 C ATOM 0 H VAL A 12 -0.718 5.306 3.138 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.457 5.986 3.998 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.571 3.760 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.981 3.390 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.500 3.129 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.338 4.628 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.775 5.026 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.080 6.332 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.414 5.956 1.050 1.00 0.00 H new ATOM 225 N TYR A 13 -3.202 4.445 5.923 1.00 0.00 N ATOM 226 CA TYR A 13 -3.123 3.532 7.057 1.00 0.00 C ATOM 227 C TYR A 13 -3.882 2.240 6.771 1.00 0.00 C ATOM 228 O TYR A 13 -5.109 2.193 6.867 1.00 0.00 O ATOM 229 CB TYR A 13 -3.684 4.199 8.315 1.00 0.00 C ATOM 230 CG TYR A 13 -3.222 3.551 9.601 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.352 2.182 9.798 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.654 4.309 10.618 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.932 1.587 10.972 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.230 3.722 11.794 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.371 2.360 11.966 1.00 0.00 C ATOM 236 OH TYR A 13 -1.950 1.771 13.136 1.00 0.00 O ATOM 0 H TYR A 13 -3.768 5.277 6.090 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.074 3.286 7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.391 5.249 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.773 4.173 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.789 1.573 9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.542 5.375 10.486 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.043 0.522 11.110 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.791 4.325 12.575 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.578 2.455 13.731 1.00 0.00 H new ATOM 246 N VAL A 14 -3.143 1.193 6.418 1.00 0.00 N ATOM 247 CA VAL A 14 -3.745 -0.101 6.119 1.00 0.00 C ATOM 248 C VAL A 14 -3.341 -1.147 7.152 1.00 0.00 C ATOM 249 O VAL A 14 -2.175 -1.235 7.537 1.00 0.00 O ATOM 250 CB VAL A 14 -3.342 -0.596 4.717 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.320 -1.651 4.222 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.263 0.569 3.743 1.00 0.00 C ATOM 0 H VAL A 14 -2.127 1.216 6.332 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.826 0.037 6.151 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.354 -1.053 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.019 -1.989 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.321 -2.497 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.321 -1.224 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.977 0.201 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.236 1.057 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.520 1.286 4.092 1.00 0.00 H new ATOM 262 N SER A 15 -4.312 -1.938 7.596 1.00 0.00 N ATOM 263 CA SER A 15 -4.058 -2.977 8.587 1.00 0.00 C ATOM 264 C SER A 15 -4.676 -4.303 8.155 1.00 0.00 C ATOM 265 O SER A 15 -5.396 -4.369 7.159 1.00 0.00 O ATOM 266 CB SER A 15 -4.618 -2.560 9.949 1.00 0.00 C ATOM 267 OG SER A 15 -3.653 -1.845 10.700 1.00 0.00 O ATOM 0 H SER A 15 -5.282 -1.879 7.285 1.00 0.00 H new ATOM 0 HA SER A 15 -2.979 -3.109 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.504 -1.942 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.932 -3.445 10.503 1.00 0.00 H new ATOM 0 HG SER A 15 -4.036 -1.589 11.565 1.00 0.00 H new ATOM 273 N ASN A 16 -4.389 -5.357 8.911 1.00 0.00 N ATOM 274 CA ASN A 16 -4.915 -6.683 8.607 1.00 0.00 C ATOM 275 C ASN A 16 -4.386 -7.184 7.266 1.00 0.00 C ATOM 276 O ASN A 16 -5.025 -7.999 6.600 1.00 0.00 O ATOM 277 CB ASN A 16 -6.445 -6.654 8.586 1.00 0.00 C ATOM 278 CG ASN A 16 -7.048 -6.961 9.943 1.00 0.00 C ATOM 279 OD1 ASN A 16 -7.050 -6.117 10.839 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.562 -8.176 10.101 1.00 0.00 N ATOM 0 H ASN A 16 -3.795 -5.319 9.739 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.581 -7.367 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.782 -5.672 8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.809 -7.378 7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.980 -8.441 10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.538 -8.844 9.330 1.00 0.00 H new ATOM 287 N LEU A 17 -3.215 -6.691 6.878 1.00 0.00 N ATOM 288 CA LEU A 17 -2.599 -7.089 5.617 1.00 0.00 C ATOM 289 C LEU A 17 -1.791 -8.372 5.786 1.00 0.00 C ATOM 290 O LEU A 17 -1.161 -8.606 6.818 1.00 0.00 O ATOM 291 CB LEU A 17 -1.697 -5.970 5.092 1.00 0.00 C ATOM 292 CG LEU A 17 -2.411 -4.741 4.530 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.457 -3.558 4.453 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.998 -5.045 3.159 1.00 0.00 C ATOM 0 H LEU A 17 -2.674 -6.016 7.418 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.394 -7.275 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.044 -5.647 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.057 -6.382 4.312 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.228 -4.480 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.983 -2.692 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.085 -3.325 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.619 -3.808 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.502 -4.159 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.198 -5.332 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.714 -5.862 3.243 1.00 0.00 H new ATOM 306 N PRO A 18 -1.806 -9.222 4.749 1.00 0.00 N ATOM 307 CA PRO A 18 -1.077 -10.494 4.758 1.00 0.00 C ATOM 308 C PRO A 18 0.434 -10.297 4.701 1.00 0.00 C ATOM 309 O PRO A 18 1.043 -10.398 3.636 1.00 0.00 O ATOM 310 CB PRO A 18 -1.574 -11.196 3.491 1.00 0.00 C ATOM 311 CG PRO A 18 -2.005 -10.091 2.590 1.00 0.00 C ATOM 312 CD PRO A 18 -2.535 -9.007 3.488 1.00 0.00 C ATOM 0 HA PRO A 18 -1.255 -11.059 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.785 -11.794 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.400 -11.872 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.170 -9.728 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.772 -10.431 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.344 -8.016 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.613 -9.092 3.627 1.00 0.00 H new ATOM 320 N PHE A 19 1.033 -10.017 5.853 1.00 0.00 N ATOM 321 CA PHE A 19 2.474 -9.805 5.934 1.00 0.00 C ATOM 322 C PHE A 19 3.217 -10.765 5.009 1.00 0.00 C ATOM 323 O PHE A 19 4.277 -10.436 4.478 1.00 0.00 O ATOM 324 CB PHE A 19 2.958 -9.989 7.373 1.00 0.00 C ATOM 325 CG PHE A 19 2.293 -11.131 8.088 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.115 -10.934 8.791 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.847 -12.401 8.057 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.503 -11.984 9.450 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.238 -13.454 8.713 1.00 0.00 C ATOM 330 CZ PHE A 19 1.064 -13.245 9.410 1.00 0.00 C ATOM 0 H PHE A 19 0.543 -9.931 6.744 1.00 0.00 H new ATOM 0 HA PHE A 19 2.685 -8.784 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.036 -10.153 7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.778 -9.069 7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.671 -9.950 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.765 -12.570 7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.414 -11.818 9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.680 -14.439 8.681 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.586 -14.066 9.923 1.00 0.00 H new ATOM 340 N SER A 20 2.652 -11.953 4.822 1.00 0.00 N ATOM 341 CA SER A 20 3.262 -12.963 3.965 1.00 0.00 C ATOM 342 C SER A 20 3.879 -12.324 2.725 1.00 0.00 C ATOM 343 O SER A 20 4.960 -12.714 2.283 1.00 0.00 O ATOM 344 CB SER A 20 2.223 -14.007 3.552 1.00 0.00 C ATOM 345 OG SER A 20 2.847 -15.189 3.081 1.00 0.00 O ATOM 0 H SER A 20 1.773 -12.240 5.252 1.00 0.00 H new ATOM 0 HA SER A 20 4.054 -13.453 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.583 -14.244 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.580 -13.596 2.773 1.00 0.00 H new ATOM 0 HG SER A 20 2.162 -15.841 2.825 1.00 0.00 H new ATOM 351 N LEU A 21 3.184 -11.338 2.169 1.00 0.00 N ATOM 352 CA LEU A 21 3.661 -10.642 0.979 1.00 0.00 C ATOM 353 C LEU A 21 4.898 -9.806 1.296 1.00 0.00 C ATOM 354 O LEU A 21 5.354 -9.761 2.439 1.00 0.00 O ATOM 355 CB LEU A 21 2.559 -9.746 0.411 1.00 0.00 C ATOM 356 CG LEU A 21 1.159 -10.359 0.353 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.159 -9.356 -0.199 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.166 -11.627 -0.489 1.00 0.00 C ATOM 0 H LEU A 21 2.288 -11.002 2.523 1.00 0.00 H new ATOM 0 HA LEU A 21 3.931 -11.391 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.512 -8.838 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.845 -9.447 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 21 0.856 -10.622 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.831 -9.810 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.133 -8.476 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.457 -9.061 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.162 -12.049 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.490 -11.389 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.851 -12.352 -0.050 1.00 0.00 H new ATOM 370 N THR A 22 5.435 -9.144 0.277 1.00 0.00 N ATOM 371 CA THR A 22 6.618 -8.309 0.446 1.00 0.00 C ATOM 372 C THR A 22 6.358 -6.884 -0.030 1.00 0.00 C ATOM 373 O THR A 22 5.500 -6.651 -0.880 1.00 0.00 O ATOM 374 CB THR A 22 7.825 -8.882 -0.320 1.00 0.00 C ATOM 375 OG1 THR A 22 9.025 -8.214 0.086 1.00 0.00 O ATOM 376 CG2 THR A 22 7.636 -8.726 -1.822 1.00 0.00 C ATOM 0 H THR A 22 5.070 -9.170 -0.675 1.00 0.00 H new ATOM 0 HA THR A 22 6.846 -8.297 1.512 1.00 0.00 H new ATOM 0 HB THR A 22 7.904 -9.944 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.788 -8.585 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.501 -9.138 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.738 -9.259 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.534 -7.669 -2.068 1.00 0.00 H new ATOM 384 N ASN A 23 7.105 -5.934 0.524 1.00 0.00 N ATOM 385 CA ASN A 23 6.954 -4.531 0.156 1.00 0.00 C ATOM 386 C ASN A 23 6.625 -4.391 -1.328 1.00 0.00 C ATOM 387 O ASN A 23 5.722 -3.647 -1.706 1.00 0.00 O ATOM 388 CB ASN A 23 8.233 -3.757 0.481 1.00 0.00 C ATOM 389 CG ASN A 23 9.478 -4.457 -0.027 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.873 -4.286 -1.180 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.104 -5.251 0.834 1.00 0.00 N ATOM 0 H ASN A 23 7.821 -6.110 1.229 1.00 0.00 H new ATOM 0 HA ASN A 23 6.129 -4.116 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.174 -2.762 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.309 -3.624 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.948 -5.748 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.741 -5.364 1.781 1.00 0.00 H new ATOM 398 N ASN A 24 7.366 -5.112 -2.163 1.00 0.00 N ATOM 399 CA ASN A 24 7.153 -5.069 -3.605 1.00 0.00 C ATOM 400 C ASN A 24 5.711 -5.426 -3.954 1.00 0.00 C ATOM 401 O ASN A 24 5.052 -4.718 -4.715 1.00 0.00 O ATOM 402 CB ASN A 24 8.113 -6.027 -4.313 1.00 0.00 C ATOM 403 CG ASN A 24 8.239 -5.730 -5.795 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.195 -6.045 -6.552 1.00 0.00 O flip ATOM 405 ND2 ASN A 24 9.263 -5.223 -6.253 1.00 0.00 N flip ATOM 0 H ASN A 24 8.119 -5.733 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 24 7.349 -4.052 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.096 -5.961 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.764 -7.051 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.041 -4.997 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.333 -5.029 -7.252 1.00 0.00 H new ATOM 412 N ASP A 25 5.229 -6.529 -3.391 1.00 0.00 N ATOM 413 CA ASP A 25 3.865 -6.980 -3.640 1.00 0.00 C ATOM 414 C ASP A 25 2.863 -5.867 -3.352 1.00 0.00 C ATOM 415 O ASP A 25 2.110 -5.451 -4.234 1.00 0.00 O ATOM 416 CB ASP A 25 3.546 -8.206 -2.782 1.00 0.00 C ATOM 417 CG ASP A 25 4.055 -9.493 -3.399 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.690 -9.780 -4.558 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.818 -10.215 -2.723 1.00 0.00 O ATOM 0 H ASP A 25 5.762 -7.127 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 25 3.785 -7.252 -4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.990 -8.080 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.467 -8.276 -2.641 1.00 0.00 H new ATOM 424 N LEU A 26 2.857 -5.389 -2.113 1.00 0.00 N ATOM 425 CA LEU A 26 1.946 -4.324 -1.707 1.00 0.00 C ATOM 426 C LEU A 26 1.964 -3.180 -2.715 1.00 0.00 C ATOM 427 O LEU A 26 0.920 -2.765 -3.218 1.00 0.00 O ATOM 428 CB LEU A 26 2.325 -3.804 -0.319 1.00 0.00 C ATOM 429 CG LEU A 26 2.144 -4.786 0.838 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.857 -4.280 2.083 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.666 -5.011 1.121 1.00 0.00 C ATOM 0 H LEU A 26 3.473 -5.722 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 26 0.937 -4.735 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.369 -3.490 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.730 -2.915 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 26 2.587 -5.740 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.717 -4.992 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.921 -4.172 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.444 -3.313 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.557 -5.713 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.198 -4.063 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.183 -5.419 0.233 1.00 0.00 H new ATOM 443 N TYR A 27 3.158 -2.674 -3.006 1.00 0.00 N ATOM 444 CA TYR A 27 3.312 -1.576 -3.954 1.00 0.00 C ATOM 445 C TYR A 27 2.359 -1.738 -5.135 1.00 0.00 C ATOM 446 O TYR A 27 1.667 -0.797 -5.522 1.00 0.00 O ATOM 447 CB TYR A 27 4.755 -1.507 -4.455 1.00 0.00 C ATOM 448 CG TYR A 27 5.013 -0.354 -5.399 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.529 -0.376 -6.702 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.742 0.756 -4.990 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.763 0.674 -7.568 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.979 1.811 -5.849 1.00 0.00 C ATOM 453 CZ TYR A 27 5.488 1.765 -7.137 1.00 0.00 C ATOM 454 OH TYR A 27 5.724 2.814 -7.997 1.00 0.00 O ATOM 0 H TYR A 27 4.032 -3.006 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 27 3.068 -0.647 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.424 -1.422 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.001 -2.441 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.960 -1.229 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.130 0.794 -3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.380 0.641 -8.577 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.546 2.667 -5.514 1.00 0.00 H new ATOM 0 HH TYR A 27 5.685 3.658 -7.501 1.00 0.00 H new ATOM 464 N ARG A 28 2.328 -2.940 -5.701 1.00 0.00 N ATOM 465 CA ARG A 28 1.462 -3.227 -6.838 1.00 0.00 C ATOM 466 C ARG A 28 0.007 -3.355 -6.394 1.00 0.00 C ATOM 467 O ARG A 28 -0.886 -2.740 -6.977 1.00 0.00 O ATOM 468 CB ARG A 28 1.908 -4.513 -7.535 1.00 0.00 C ATOM 469 CG ARG A 28 3.255 -4.394 -8.230 1.00 0.00 C ATOM 470 CD ARG A 28 3.938 -5.746 -8.357 1.00 0.00 C ATOM 471 NE ARG A 28 3.507 -6.467 -9.552 1.00 0.00 N ATOM 472 CZ ARG A 28 3.648 -7.778 -9.711 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.204 -8.509 -8.755 1.00 0.00 N ATOM 474 NH2 ARG A 28 3.230 -8.361 -10.827 1.00 0.00 N ATOM 0 H ARG A 28 2.893 -3.731 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 28 1.539 -2.396 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.958 -5.316 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.154 -4.799 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.117 -3.960 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.896 -3.713 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.018 -5.605 -8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.721 -6.346 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 28 3.074 -5.934 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.525 -8.065 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.311 -9.516 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.800 -7.802 -11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.339 -9.368 -10.948 1.00 0.00 H new ATOM 488 N ILE A 29 -0.222 -4.156 -5.360 1.00 0.00 N ATOM 489 CA ILE A 29 -1.567 -4.364 -4.838 1.00 0.00 C ATOM 490 C ILE A 29 -2.297 -3.038 -4.658 1.00 0.00 C ATOM 491 O ILE A 29 -3.497 -2.937 -4.917 1.00 0.00 O ATOM 492 CB ILE A 29 -1.539 -5.109 -3.490 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.854 -6.468 -3.648 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.951 -5.281 -2.951 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.357 -7.049 -2.343 1.00 0.00 C ATOM 0 H ILE A 29 0.506 -4.672 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.099 -4.973 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.968 -4.516 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.554 -7.168 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.013 -6.365 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.915 -5.809 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.407 -4.302 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.544 -5.856 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.117 -8.012 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.367 -6.369 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.197 -7.185 -1.662 1.00 0.00 H new ATOM 507 N PHE A 30 -1.566 -2.021 -4.213 1.00 0.00 N ATOM 508 CA PHE A 30 -2.144 -0.700 -3.999 1.00 0.00 C ATOM 509 C PHE A 30 -2.022 0.157 -5.256 1.00 0.00 C ATOM 510 O PHE A 30 -2.630 1.223 -5.355 1.00 0.00 O ATOM 511 CB PHE A 30 -1.455 -0.003 -2.824 1.00 0.00 C ATOM 512 CG PHE A 30 -1.834 -0.568 -1.485 1.00 0.00 C ATOM 513 CD1 PHE A 30 -3.044 -0.236 -0.896 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.983 -1.432 -0.817 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.395 -0.754 0.336 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.329 -1.954 0.416 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.537 -1.615 0.992 1.00 0.00 C ATOM 0 H PHE A 30 -0.572 -2.087 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.202 -0.826 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.375 -0.080 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.704 1.058 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.720 0.435 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.038 -1.702 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.340 -0.486 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.655 -2.626 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.811 -2.022 1.954 1.00 0.00 H new ATOM 527 N SER A 31 -1.231 -0.316 -6.214 1.00 0.00 N ATOM 528 CA SER A 31 -1.025 0.407 -7.462 1.00 0.00 C ATOM 529 C SER A 31 -2.324 0.501 -8.257 1.00 0.00 C ATOM 530 O SER A 31 -2.594 1.507 -8.913 1.00 0.00 O ATOM 531 CB SER A 31 0.052 -0.280 -8.303 1.00 0.00 C ATOM 532 OG SER A 31 0.382 0.495 -9.443 1.00 0.00 O ATOM 0 H SER A 31 -0.722 -1.198 -6.149 1.00 0.00 H new ATOM 0 HA SER A 31 -0.695 1.417 -7.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.944 -0.439 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.300 -1.263 -8.617 1.00 0.00 H new ATOM 0 HG SER A 31 1.074 0.034 -9.963 1.00 0.00 H new ATOM 538 N LYS A 32 -3.127 -0.557 -8.193 1.00 0.00 N ATOM 539 CA LYS A 32 -4.399 -0.597 -8.904 1.00 0.00 C ATOM 540 C LYS A 32 -5.247 0.627 -8.571 1.00 0.00 C ATOM 541 O LYS A 32 -6.205 0.940 -9.278 1.00 0.00 O ATOM 542 CB LYS A 32 -5.165 -1.873 -8.550 1.00 0.00 C ATOM 543 CG LYS A 32 -5.628 -1.923 -7.104 1.00 0.00 C ATOM 544 CD LYS A 32 -6.577 -3.085 -6.863 1.00 0.00 C ATOM 545 CE LYS A 32 -6.394 -3.674 -5.472 1.00 0.00 C ATOM 546 NZ LYS A 32 -7.283 -4.847 -5.245 1.00 0.00 N ATOM 0 H LYS A 32 -2.918 -1.398 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.189 -0.592 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.033 -1.959 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.529 -2.736 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.763 -2.016 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.124 -0.987 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.606 -2.747 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.405 -3.858 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.355 -3.975 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.603 -2.910 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.128 -5.219 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.276 -4.555 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.066 -5.587 -5.943 1.00 0.00 H new ATOM 560 N TYR A 33 -4.887 1.314 -7.493 1.00 0.00 N ATOM 561 CA TYR A 33 -5.616 2.503 -7.067 1.00 0.00 C ATOM 562 C TYR A 33 -4.857 3.772 -7.442 1.00 0.00 C ATOM 563 O TYR A 33 -5.387 4.648 -8.124 1.00 0.00 O ATOM 564 CB TYR A 33 -5.854 2.466 -5.556 1.00 0.00 C ATOM 565 CG TYR A 33 -6.608 1.240 -5.092 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.899 0.983 -5.538 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.029 0.338 -4.208 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.591 -0.135 -5.116 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.713 -0.783 -3.781 1.00 0.00 C ATOM 570 CZ TYR A 33 -7.994 -1.015 -4.237 1.00 0.00 C ATOM 571 OH TYR A 33 -8.680 -2.131 -3.815 1.00 0.00 O ATOM 0 H TYR A 33 -4.095 1.068 -6.898 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.577 2.512 -7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.893 2.506 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.409 3.357 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.369 1.670 -6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.026 0.517 -3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.594 -0.319 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.248 -1.474 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.300 -2.419 -4.517 1.00 0.00 H new ATOM 581 N GLY A 34 -3.609 3.862 -6.992 1.00 0.00 N ATOM 582 CA GLY A 34 -2.795 5.026 -7.291 1.00 0.00 C ATOM 583 C GLY A 34 -1.312 4.714 -7.279 1.00 0.00 C ATOM 584 O GLY A 34 -0.875 3.759 -6.636 1.00 0.00 O ATOM 0 H GLY A 34 -3.147 3.150 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.073 5.418 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.004 5.809 -6.562 1.00 0.00 H new ATOM 588 N LYS A 35 -0.534 5.521 -7.993 1.00 0.00 N ATOM 589 CA LYS A 35 0.910 5.327 -8.064 1.00 0.00 C ATOM 590 C LYS A 35 1.531 5.350 -6.671 1.00 0.00 C ATOM 591 O LYS A 35 1.196 6.199 -5.845 1.00 0.00 O ATOM 592 CB LYS A 35 1.548 6.411 -8.936 1.00 0.00 C ATOM 593 CG LYS A 35 3.048 6.245 -9.111 1.00 0.00 C ATOM 594 CD LYS A 35 3.376 5.089 -10.040 1.00 0.00 C ATOM 595 CE LYS A 35 4.876 4.851 -10.125 1.00 0.00 C ATOM 596 NZ LYS A 35 5.513 5.693 -11.175 1.00 0.00 N ATOM 0 H LYS A 35 -0.879 6.316 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 35 1.099 4.351 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.073 6.403 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.348 7.387 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.473 7.166 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.512 6.075 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.882 4.184 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.983 5.297 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.333 5.067 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.065 3.799 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.535 5.501 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.095 5.469 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.355 6.698 -10.958 1.00 0.00 H new ATOM 610 N VAL A 36 2.438 4.413 -6.416 1.00 0.00 N ATOM 611 CA VAL A 36 3.108 4.327 -5.124 1.00 0.00 C ATOM 612 C VAL A 36 4.535 4.855 -5.209 1.00 0.00 C ATOM 613 O VAL A 36 5.227 4.648 -6.206 1.00 0.00 O ATOM 614 CB VAL A 36 3.138 2.878 -4.602 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.914 2.797 -3.297 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.724 2.346 -4.426 1.00 0.00 C ATOM 0 H VAL A 36 2.726 3.702 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 36 2.537 4.943 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 36 3.646 2.255 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.925 1.766 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.937 3.135 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.437 3.432 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.764 1.321 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.187 2.969 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.206 2.366 -5.385 1.00 0.00 H new ATOM 626 N VAL A 37 4.971 5.538 -4.155 1.00 0.00 N ATOM 627 CA VAL A 37 6.318 6.095 -4.109 1.00 0.00 C ATOM 628 C VAL A 37 7.190 5.342 -3.111 1.00 0.00 C ATOM 629 O VAL A 37 8.327 4.979 -3.413 1.00 0.00 O ATOM 630 CB VAL A 37 6.295 7.588 -3.731 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.711 8.124 -3.586 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.517 8.388 -4.765 1.00 0.00 C ATOM 0 H VAL A 37 4.411 5.719 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 37 6.740 5.988 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 37 5.792 7.693 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.675 9.180 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.232 7.570 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.243 8.007 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.511 9.441 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.989 8.278 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.492 8.020 -4.814 1.00 0.00 H new ATOM 642 N LYS A 38 6.651 5.110 -1.919 1.00 0.00 N ATOM 643 CA LYS A 38 7.378 4.399 -0.875 1.00 0.00 C ATOM 644 C LYS A 38 6.437 3.516 -0.062 1.00 0.00 C ATOM 645 O LYS A 38 5.310 3.907 0.242 1.00 0.00 O ATOM 646 CB LYS A 38 8.088 5.392 0.048 1.00 0.00 C ATOM 647 CG LYS A 38 9.161 6.209 -0.649 1.00 0.00 C ATOM 648 CD LYS A 38 10.120 6.837 0.349 1.00 0.00 C ATOM 649 CE LYS A 38 10.967 7.922 -0.299 1.00 0.00 C ATOM 650 NZ LYS A 38 11.795 8.650 0.702 1.00 0.00 N ATOM 0 H LYS A 38 5.712 5.405 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 38 8.122 3.762 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.349 6.069 0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.539 4.846 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.716 5.571 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.693 6.991 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.556 7.262 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.769 6.067 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.616 7.475 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.318 8.629 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.358 9.381 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.174 9.098 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.432 7.980 1.179 1.00 0.00 H new ATOM 664 N VAL A 39 6.907 2.323 0.289 1.00 0.00 N ATOM 665 CA VAL A 39 6.108 1.386 1.070 1.00 0.00 C ATOM 666 C VAL A 39 6.599 1.313 2.511 1.00 0.00 C ATOM 667 O VAL A 39 7.701 0.836 2.781 1.00 0.00 O ATOM 668 CB VAL A 39 6.141 -0.027 0.456 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.315 -0.992 1.293 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.645 0.005 -0.981 1.00 0.00 C ATOM 0 H VAL A 39 7.837 1.983 0.045 1.00 0.00 H new ATOM 0 HA VAL A 39 5.083 1.757 1.057 1.00 0.00 H new ATOM 0 HB VAL A 39 7.173 -0.379 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.350 -1.985 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.721 -1.036 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.282 -0.647 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.675 -1.001 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.621 0.377 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.283 0.662 -1.572 1.00 0.00 H new ATOM 680 N THR A 40 5.772 1.791 3.437 1.00 0.00 N ATOM 681 CA THR A 40 6.121 1.781 4.852 1.00 0.00 C ATOM 682 C THR A 40 5.372 0.681 5.595 1.00 0.00 C ATOM 683 O THR A 40 4.187 0.452 5.353 1.00 0.00 O ATOM 684 CB THR A 40 5.812 3.136 5.516 1.00 0.00 C ATOM 685 OG1 THR A 40 6.569 4.175 4.885 1.00 0.00 O ATOM 686 CG2 THR A 40 6.136 3.097 7.002 1.00 0.00 C ATOM 0 H THR A 40 4.856 2.190 3.232 1.00 0.00 H new ATOM 0 HA THR A 40 7.193 1.591 4.912 1.00 0.00 H new ATOM 0 HB THR A 40 4.748 3.339 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.365 5.033 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.910 4.065 7.449 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.537 2.325 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.194 2.873 7.138 1.00 0.00 H new ATOM 694 N ILE A 41 6.070 0.005 6.501 1.00 0.00 N ATOM 695 CA ILE A 41 5.469 -1.070 7.281 1.00 0.00 C ATOM 696 C ILE A 41 5.807 -0.930 8.762 1.00 0.00 C ATOM 697 O ILE A 41 6.918 -0.541 9.121 1.00 0.00 O ATOM 698 CB ILE A 41 5.936 -2.452 6.789 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.504 -2.674 5.338 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.382 -3.549 7.685 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.140 -3.887 4.696 1.00 0.00 C ATOM 0 H ILE A 41 7.052 0.182 6.713 1.00 0.00 H new ATOM 0 HA ILE A 41 4.390 -0.991 7.147 1.00 0.00 H new ATOM 0 HB ILE A 41 7.024 -2.488 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.420 -2.781 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.756 -1.789 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.721 -4.520 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.734 -3.398 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.293 -3.516 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.788 -3.982 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.224 -3.774 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.867 -4.781 5.257 1.00 0.00 H new ATOM 713 N MET A 42 4.841 -1.250 9.617 1.00 0.00 N ATOM 714 CA MET A 42 5.038 -1.163 11.059 1.00 0.00 C ATOM 715 C MET A 42 5.693 -2.431 11.596 1.00 0.00 C ATOM 716 O MET A 42 5.855 -3.414 10.872 1.00 0.00 O ATOM 717 CB MET A 42 3.700 -0.928 11.764 1.00 0.00 C ATOM 718 CG MET A 42 3.134 0.466 11.544 1.00 0.00 C ATOM 719 SD MET A 42 3.939 1.712 12.568 1.00 0.00 S ATOM 720 CE MET A 42 3.982 3.102 11.439 1.00 0.00 C ATOM 0 H MET A 42 3.915 -1.572 9.336 1.00 0.00 H new ATOM 0 HA MET A 42 5.700 -0.321 11.260 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.978 -1.664 11.411 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.828 -1.095 12.834 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.245 0.737 10.494 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.066 0.458 11.760 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.912 3.653 11.576 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.923 2.739 10.413 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.137 3.760 11.640 1.00 0.00 H new ATOM 730 N LYS A 43 6.069 -2.403 12.870 1.00 0.00 N ATOM 731 CA LYS A 43 6.706 -3.551 13.506 1.00 0.00 C ATOM 732 C LYS A 43 6.344 -3.623 14.986 1.00 0.00 C ATOM 733 O LYS A 43 6.161 -2.597 15.641 1.00 0.00 O ATOM 734 CB LYS A 43 8.225 -3.470 13.345 1.00 0.00 C ATOM 735 CG LYS A 43 8.717 -3.920 11.980 1.00 0.00 C ATOM 736 CD LYS A 43 8.823 -2.752 11.013 1.00 0.00 C ATOM 737 CE LYS A 43 9.802 -3.048 9.887 1.00 0.00 C ATOM 738 NZ LYS A 43 9.945 -1.892 8.959 1.00 0.00 N ATOM 0 H LYS A 43 5.944 -1.598 13.483 1.00 0.00 H new ATOM 0 HA LYS A 43 6.342 -4.455 13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.546 -2.443 13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.697 -4.084 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.691 -4.398 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.036 -4.668 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.840 -2.534 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.145 -1.861 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.776 -3.298 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.462 -3.921 9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.183 -2.238 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.050 -1.364 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.702 -1.265 9.299 1.00 0.00 H new ATOM 752 N ASP A 44 6.243 -4.841 15.506 1.00 0.00 N ATOM 753 CA ASP A 44 5.905 -5.048 16.910 1.00 0.00 C ATOM 754 C ASP A 44 7.139 -4.893 17.794 1.00 0.00 C ATOM 755 O ASP A 44 8.251 -4.709 17.300 1.00 0.00 O ATOM 756 CB ASP A 44 5.289 -6.433 17.110 1.00 0.00 C ATOM 757 CG ASP A 44 4.634 -6.585 18.469 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.738 -5.777 18.788 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.019 -7.511 19.213 1.00 0.00 O ATOM 0 H ASP A 44 6.390 -5.700 14.977 1.00 0.00 H new ATOM 0 HA ASP A 44 5.176 -4.291 17.198 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.549 -6.614 16.331 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.063 -7.192 16.996 1.00 0.00 H new ATOM 764 N LYS A 45 6.934 -4.968 19.105 1.00 0.00 N ATOM 765 CA LYS A 45 8.028 -4.836 20.059 1.00 0.00 C ATOM 766 C LYS A 45 8.575 -6.205 20.452 1.00 0.00 C ATOM 767 O LYS A 45 9.762 -6.482 20.282 1.00 0.00 O ATOM 768 CB LYS A 45 7.557 -4.086 21.307 1.00 0.00 C ATOM 769 CG LYS A 45 8.655 -3.289 21.989 1.00 0.00 C ATOM 770 CD LYS A 45 8.101 -2.057 22.685 1.00 0.00 C ATOM 771 CE LYS A 45 8.078 -0.854 21.754 1.00 0.00 C ATOM 772 NZ LYS A 45 7.276 0.267 22.317 1.00 0.00 N ATOM 0 H LYS A 45 6.020 -5.120 19.531 1.00 0.00 H new ATOM 0 HA LYS A 45 8.826 -4.268 19.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.748 -3.410 21.031 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.145 -4.803 22.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.165 -3.920 22.717 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.399 -2.988 21.251 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.091 -2.262 23.041 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.708 -1.829 23.561 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.098 -0.516 21.573 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.664 -1.149 20.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.285 1.068 21.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.296 -0.048 22.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.686 0.565 23.225 1.00 0.00 H new ATOM 786 N ASP A 46 7.701 -7.057 20.978 1.00 0.00 N ATOM 787 CA ASP A 46 8.096 -8.398 21.393 1.00 0.00 C ATOM 788 C ASP A 46 8.311 -9.300 20.181 1.00 0.00 C ATOM 789 O ASP A 46 9.444 -9.640 19.840 1.00 0.00 O ATOM 790 CB ASP A 46 7.035 -9.003 22.313 1.00 0.00 C ATOM 791 CG ASP A 46 6.982 -8.318 23.665 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.125 -7.078 23.708 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.798 -9.022 24.679 1.00 0.00 O ATOM 0 H ASP A 46 6.715 -6.843 21.127 1.00 0.00 H new ATOM 0 HA ASP A 46 9.037 -8.321 21.938 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.059 -8.931 21.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.243 -10.064 22.454 1.00 0.00 H new ATOM 798 N THR A 47 7.215 -9.686 19.536 1.00 0.00 N ATOM 799 CA THR A 47 7.282 -10.551 18.364 1.00 0.00 C ATOM 800 C THR A 47 8.096 -9.904 17.249 1.00 0.00 C ATOM 801 O THR A 47 8.731 -10.593 16.451 1.00 0.00 O ATOM 802 CB THR A 47 5.877 -10.886 17.831 1.00 0.00 C ATOM 803 OG1 THR A 47 5.218 -9.689 17.401 1.00 0.00 O ATOM 804 CG2 THR A 47 5.042 -11.574 18.900 1.00 0.00 C ATOM 0 H THR A 47 6.270 -9.413 19.805 1.00 0.00 H new ATOM 0 HA THR A 47 7.771 -11.473 18.679 1.00 0.00 H new ATOM 0 HB THR A 47 5.986 -11.565 16.985 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.212 -9.038 18.133 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.054 -11.801 18.500 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.531 -12.499 19.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.942 -10.916 19.763 1.00 0.00 H new ATOM 812 N ARG A 48 8.073 -8.576 17.201 1.00 0.00 N ATOM 813 CA ARG A 48 8.808 -7.835 16.183 1.00 0.00 C ATOM 814 C ARG A 48 8.319 -8.202 14.785 1.00 0.00 C ATOM 815 O ARG A 48 9.117 -8.447 13.880 1.00 0.00 O ATOM 816 CB ARG A 48 10.307 -8.117 16.300 1.00 0.00 C ATOM 817 CG ARG A 48 11.181 -7.004 15.746 1.00 0.00 C ATOM 818 CD ARG A 48 11.485 -7.216 14.271 1.00 0.00 C ATOM 819 NE ARG A 48 12.680 -6.490 13.849 1.00 0.00 N ATOM 820 CZ ARG A 48 12.680 -5.203 13.521 1.00 0.00 C ATOM 821 NH1 ARG A 48 11.555 -4.503 13.565 1.00 0.00 N ATOM 822 NH2 ARG A 48 13.808 -4.613 13.146 1.00 0.00 N ATOM 0 H ARG A 48 7.553 -7.991 17.855 1.00 0.00 H new ATOM 0 HA ARG A 48 8.631 -6.772 16.344 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.557 -8.276 17.349 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.536 -9.044 15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.680 -6.045 15.881 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.114 -6.959 16.308 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.620 -8.280 14.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.633 -6.890 13.675 1.00 0.00 H new ATOM 0 HE ARG A 48 13.563 -6.999 13.804 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.685 -4.953 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.559 -3.515 13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.676 -5.148 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.807 -3.625 12.894 1.00 0.00 H new ATOM 836 N LYS A 49 7.001 -8.238 14.615 1.00 0.00 N ATOM 837 CA LYS A 49 6.404 -8.574 13.328 1.00 0.00 C ATOM 838 C LYS A 49 5.616 -7.393 12.769 1.00 0.00 C ATOM 839 O LYS A 49 5.279 -6.460 13.498 1.00 0.00 O ATOM 840 CB LYS A 49 5.487 -9.791 13.470 1.00 0.00 C ATOM 841 CG LYS A 49 6.182 -11.012 14.048 1.00 0.00 C ATOM 842 CD LYS A 49 7.282 -11.515 13.129 1.00 0.00 C ATOM 843 CE LYS A 49 6.710 -12.175 11.883 1.00 0.00 C ATOM 844 NZ LYS A 49 7.776 -12.764 11.028 1.00 0.00 N ATOM 0 H LYS A 49 6.326 -8.038 15.353 1.00 0.00 H new ATOM 0 HA LYS A 49 7.209 -8.813 12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.643 -9.527 14.108 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.079 -10.045 12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.605 -10.764 15.021 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.452 -11.805 14.210 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.924 -10.683 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.908 -12.229 13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.007 -12.955 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.148 -11.439 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.345 -13.204 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.433 -12.016 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.296 -13.485 11.568 1.00 0.00 H new ATOM 858 N SER A 50 5.324 -7.442 11.474 1.00 0.00 N ATOM 859 CA SER A 50 4.578 -6.375 10.817 1.00 0.00 C ATOM 860 C SER A 50 3.163 -6.276 11.381 1.00 0.00 C ATOM 861 O SER A 50 2.561 -5.203 11.393 1.00 0.00 O ATOM 862 CB SER A 50 4.522 -6.617 9.308 1.00 0.00 C ATOM 863 OG SER A 50 3.623 -5.719 8.680 1.00 0.00 O ATOM 0 H SER A 50 5.593 -8.209 10.858 1.00 0.00 H new ATOM 0 HA SER A 50 5.094 -5.434 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.518 -6.498 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.212 -7.643 9.112 1.00 0.00 H new ATOM 0 HG SER A 50 3.607 -5.893 7.716 1.00 0.00 H new ATOM 869 N LYS A 51 2.638 -7.405 11.847 1.00 0.00 N ATOM 870 CA LYS A 51 1.296 -7.448 12.413 1.00 0.00 C ATOM 871 C LYS A 51 0.262 -6.967 11.399 1.00 0.00 C ATOM 872 O LYS A 51 -0.813 -6.497 11.770 1.00 0.00 O ATOM 873 CB LYS A 51 1.225 -6.587 13.677 1.00 0.00 C ATOM 874 CG LYS A 51 2.336 -6.875 14.671 1.00 0.00 C ATOM 875 CD LYS A 51 1.934 -7.957 15.659 1.00 0.00 C ATOM 876 CE LYS A 51 0.877 -7.458 16.633 1.00 0.00 C ATOM 877 NZ LYS A 51 1.485 -6.881 17.864 1.00 0.00 N ATOM 0 H LYS A 51 3.123 -8.302 11.843 1.00 0.00 H new ATOM 0 HA LYS A 51 1.071 -8.483 12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.266 -5.535 13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.263 -6.748 14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.233 -7.185 14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.587 -5.963 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.552 -8.822 15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.812 -8.290 16.212 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.260 -6.703 16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.217 -8.281 16.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.789 -6.276 18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.774 -7.650 18.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.318 -6.314 17.607 1.00 0.00 H new ATOM 891 N GLY A 52 0.594 -7.090 10.118 1.00 0.00 N ATOM 892 CA GLY A 52 -0.317 -6.665 9.071 1.00 0.00 C ATOM 893 C GLY A 52 -0.325 -5.160 8.886 1.00 0.00 C ATOM 894 O GLY A 52 -0.419 -4.667 7.762 1.00 0.00 O ATOM 0 H GLY A 52 1.478 -7.476 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.035 -7.142 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.325 -7.004 9.311 1.00 0.00 H new ATOM 898 N VAL A 53 -0.229 -4.429 9.991 1.00 0.00 N ATOM 899 CA VAL A 53 -0.227 -2.971 9.946 1.00 0.00 C ATOM 900 C VAL A 53 0.881 -2.452 9.037 1.00 0.00 C ATOM 901 O VAL A 53 2.065 -2.635 9.318 1.00 0.00 O ATOM 902 CB VAL A 53 -0.049 -2.366 11.351 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.441 -0.897 11.354 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.862 -3.146 12.373 1.00 0.00 C ATOM 0 H VAL A 53 -0.152 -4.822 10.929 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.194 -2.665 9.547 1.00 0.00 H new ATOM 0 HB VAL A 53 1.003 -2.436 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.308 -0.487 12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.189 -0.351 10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.485 -0.798 11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.725 -2.705 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.917 -3.109 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.527 -4.183 12.389 1.00 0.00 H new ATOM 914 N ALA A 54 0.488 -1.802 7.946 1.00 0.00 N ATOM 915 CA ALA A 54 1.448 -1.253 6.996 1.00 0.00 C ATOM 916 C ALA A 54 0.948 0.062 6.409 1.00 0.00 C ATOM 917 O ALA A 54 -0.234 0.204 6.096 1.00 0.00 O ATOM 918 CB ALA A 54 1.726 -2.257 5.887 1.00 0.00 C ATOM 0 H ALA A 54 -0.489 -1.643 7.698 1.00 0.00 H new ATOM 0 HA ALA A 54 2.377 -1.052 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.444 -1.834 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.135 -3.171 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.798 -2.486 5.363 1.00 0.00 H new ATOM 924 N PHE A 55 1.856 1.022 6.262 1.00 0.00 N ATOM 925 CA PHE A 55 1.506 2.327 5.713 1.00 0.00 C ATOM 926 C PHE A 55 1.946 2.440 4.257 1.00 0.00 C ATOM 927 O PHE A 55 3.114 2.224 3.932 1.00 0.00 O ATOM 928 CB PHE A 55 2.150 3.441 6.541 1.00 0.00 C ATOM 929 CG PHE A 55 1.571 3.574 7.920 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.549 2.490 8.784 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.050 4.782 8.353 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.017 2.610 10.054 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.518 4.907 9.623 1.00 0.00 C ATOM 934 CZ PHE A 55 0.500 3.819 10.474 1.00 0.00 C ATOM 0 H PHE A 55 2.839 0.921 6.515 1.00 0.00 H new ATOM 0 HA PHE A 55 0.422 2.433 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.220 3.250 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.034 4.388 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.952 1.541 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.059 5.636 7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.006 1.758 10.718 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.117 5.855 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.082 3.914 11.465 1.00 0.00 H new ATOM 944 N ILE A 56 1.003 2.780 3.384 1.00 0.00 N ATOM 945 CA ILE A 56 1.294 2.922 1.963 1.00 0.00 C ATOM 946 C ILE A 56 1.342 4.391 1.556 1.00 0.00 C ATOM 947 O ILE A 56 0.364 5.123 1.715 1.00 0.00 O ATOM 948 CB ILE A 56 0.246 2.196 1.099 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.143 0.726 1.511 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.601 2.315 -0.376 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.472 0.003 1.507 1.00 0.00 C ATOM 0 H ILE A 56 0.032 2.962 3.636 1.00 0.00 H new ATOM 0 HA ILE A 56 2.270 2.468 1.794 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.724 2.667 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.291 0.666 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.542 0.215 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.149 1.797 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.628 3.367 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.579 1.866 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.323 -1.034 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.899 0.031 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.153 0.490 2.205 1.00 0.00 H new ATOM 963 N LEU A 57 2.485 4.816 1.029 1.00 0.00 N ATOM 964 CA LEU A 57 2.661 6.198 0.597 1.00 0.00 C ATOM 965 C LEU A 57 2.336 6.351 -0.885 1.00 0.00 C ATOM 966 O LEU A 57 2.914 5.668 -1.732 1.00 0.00 O ATOM 967 CB LEU A 57 4.095 6.658 0.866 1.00 0.00 C ATOM 968 CG LEU A 57 4.315 8.171 0.921 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.609 8.495 1.652 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.332 8.758 -0.482 1.00 0.00 C ATOM 0 H LEU A 57 3.304 4.223 0.891 1.00 0.00 H new ATOM 0 HA LEU A 57 1.972 6.821 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.421 6.229 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.740 6.245 0.090 1.00 0.00 H new ATOM 0 HG LEU A 57 3.488 8.620 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.749 9.576 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.559 8.108 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.447 8.034 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.489 9.835 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.139 8.304 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.380 8.557 -0.972 1.00 0.00 H new ATOM 982 N PHE A 58 1.409 7.252 -1.193 1.00 0.00 N ATOM 983 CA PHE A 58 1.008 7.496 -2.573 1.00 0.00 C ATOM 984 C PHE A 58 1.612 8.797 -3.093 1.00 0.00 C ATOM 985 O PHE A 58 2.121 9.611 -2.322 1.00 0.00 O ATOM 986 CB PHE A 58 -0.517 7.550 -2.681 1.00 0.00 C ATOM 987 CG PHE A 58 -1.171 6.199 -2.611 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.350 5.564 -1.393 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.608 5.565 -3.763 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.950 4.321 -1.325 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.209 4.322 -3.702 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.382 3.700 -2.481 1.00 0.00 C ATOM 0 H PHE A 58 0.921 7.825 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 58 1.380 6.674 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.908 8.176 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.790 8.029 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.017 6.046 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.477 6.048 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.081 3.836 -0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.543 3.838 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.854 2.730 -2.430 1.00 0.00 H new ATOM 1002 N LEU A 59 1.553 8.986 -4.407 1.00 0.00 N ATOM 1003 CA LEU A 59 2.094 10.187 -5.033 1.00 0.00 C ATOM 1004 C LEU A 59 1.076 11.323 -5.002 1.00 0.00 C ATOM 1005 O LEU A 59 1.441 12.495 -4.909 1.00 0.00 O ATOM 1006 CB LEU A 59 2.505 9.894 -6.477 1.00 0.00 C ATOM 1007 CG LEU A 59 3.325 10.979 -7.175 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.718 11.066 -6.572 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.405 10.707 -8.670 1.00 0.00 C ATOM 0 H LEU A 59 1.136 8.322 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 59 2.973 10.496 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.080 8.968 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.602 9.716 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 59 2.827 11.937 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.287 11.844 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.641 11.308 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.226 10.109 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.992 11.489 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.880 9.741 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.400 10.696 -9.092 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.202 10.967 -5.079 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.273 11.956 -5.057 1.00 0.00 C ATOM 1023 C ASP A 60 -2.327 11.592 -4.015 1.00 0.00 C ATOM 1024 O ASP A 60 -2.973 10.548 -4.108 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.921 12.068 -6.438 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.318 12.654 -6.377 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.627 13.346 -5.384 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.102 12.420 -7.320 1.00 0.00 O ATOM 0 H ASP A 60 -0.521 10.001 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.839 12.919 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.297 12.690 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.964 11.080 -6.897 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.494 12.460 -3.023 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.469 12.232 -1.963 1.00 0.00 C ATOM 1035 C LYS A 61 -4.817 11.816 -2.543 1.00 0.00 C ATOM 1036 O LYS A 61 -5.430 10.853 -2.083 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.635 13.494 -1.114 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.798 13.424 -0.141 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.314 14.809 0.213 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.319 15.308 -0.814 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.632 14.619 -0.686 1.00 0.00 N ATOM 0 H LYS A 61 -1.967 13.328 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.100 11.423 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.715 13.670 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.776 14.350 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.604 12.835 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.483 12.909 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.780 14.784 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.478 15.506 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.459 16.382 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.922 15.150 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.783 14.004 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.639 14.044 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.392 15.327 -0.638 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.270 12.546 -3.556 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.544 12.251 -4.201 1.00 0.00 C ATOM 1057 C ASP A 62 -6.663 10.762 -4.515 1.00 0.00 C ATOM 1058 O ASP A 62 -7.666 10.127 -4.191 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.692 13.068 -5.485 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.070 14.511 -5.212 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.197 14.748 -4.730 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -6.238 15.404 -5.481 1.00 0.00 O ATOM 0 H ASP A 62 -4.774 13.346 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.343 12.524 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.755 13.040 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.452 12.610 -6.118 1.00 0.00 H new ATOM 1067 N SER A 63 -5.631 10.212 -5.148 1.00 0.00 N ATOM 1068 CA SER A 63 -5.622 8.800 -5.510 1.00 0.00 C ATOM 1069 C SER A 63 -5.758 7.920 -4.271 1.00 0.00 C ATOM 1070 O SER A 63 -6.540 6.970 -4.254 1.00 0.00 O ATOM 1071 CB SER A 63 -4.333 8.452 -6.257 1.00 0.00 C ATOM 1072 OG SER A 63 -4.426 8.804 -7.627 1.00 0.00 O ATOM 0 H SER A 63 -4.791 10.723 -5.420 1.00 0.00 H new ATOM 0 HA SER A 63 -6.475 8.612 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.492 8.974 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.133 7.384 -6.165 1.00 0.00 H new ATOM 0 HG SER A 63 -3.589 8.573 -8.082 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.990 8.245 -3.236 1.00 0.00 N ATOM 1079 CA ALA A 64 -5.026 7.487 -1.991 1.00 0.00 C ATOM 1080 C ALA A 64 -6.459 7.282 -1.514 1.00 0.00 C ATOM 1081 O ALA A 64 -6.911 6.149 -1.347 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.206 8.191 -0.921 1.00 0.00 C ATOM 0 H ALA A 64 -4.336 9.028 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.591 6.506 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.242 7.614 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.172 8.279 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.616 9.185 -0.744 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.168 8.384 -1.295 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.551 8.324 -0.835 1.00 0.00 C ATOM 1090 C GLN A 65 -9.287 7.153 -1.476 1.00 0.00 C ATOM 1091 O GLN A 65 -9.724 6.231 -0.788 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.274 9.633 -1.156 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.824 10.804 -0.297 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.336 12.135 -0.809 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.028 12.543 -1.930 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -10.124 12.822 0.010 1.00 0.00 N ATOM 0 H GLN A 65 -6.808 9.329 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.543 8.177 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.112 9.880 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.346 9.488 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.172 10.654 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.735 10.827 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.354 12.447 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.499 13.725 -0.281 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.421 7.195 -2.797 1.00 0.00 N ATOM 1106 CA ASN A 66 -10.105 6.137 -3.531 1.00 0.00 C ATOM 1107 C ASN A 66 -9.833 4.774 -2.901 1.00 0.00 C ATOM 1108 O ASN A 66 -10.761 4.057 -2.525 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.660 6.132 -4.995 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.076 4.867 -5.721 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.898 4.096 -5.227 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.507 4.649 -6.901 1.00 0.00 N ATOM 0 H ASN A 66 -9.065 7.951 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.176 6.332 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.086 6.997 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.576 6.235 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.747 3.815 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.830 5.316 -7.272 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.557 4.425 -2.788 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.162 3.149 -2.203 1.00 0.00 C ATOM 1121 C CYS A 67 -8.687 3.018 -0.777 1.00 0.00 C ATOM 1122 O CYS A 67 -9.085 1.936 -0.346 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.639 3.008 -2.214 1.00 0.00 C ATOM 1124 SG CYS A 67 -6.018 1.628 -1.225 1.00 0.00 S ATOM 0 H CYS A 67 -7.778 5.008 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.597 2.352 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.304 2.883 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.197 3.933 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.910 0.571 -1.974 1.00 0.00 H new ATOM 1130 N THR A 68 -8.683 4.129 -0.047 1.00 0.00 N ATOM 1131 CA THR A 68 -9.156 4.140 1.332 1.00 0.00 C ATOM 1132 C THR A 68 -10.628 3.752 1.411 1.00 0.00 C ATOM 1133 O THR A 68 -11.160 3.518 2.496 1.00 0.00 O ATOM 1134 CB THR A 68 -8.965 5.523 1.981 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.740 6.112 1.530 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.952 5.412 3.498 1.00 0.00 C ATOM 0 H THR A 68 -8.357 5.033 -0.388 1.00 0.00 H new ATOM 0 HA THR A 68 -8.560 3.407 1.876 1.00 0.00 H new ATOM 0 HB THR A 68 -9.802 6.156 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.464 6.813 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.816 6.402 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.898 4.992 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.133 4.763 3.808 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.280 3.685 0.256 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.692 3.325 0.195 1.00 0.00 C ATOM 1146 C ARG A 69 -12.882 1.984 -0.507 1.00 0.00 C ATOM 1147 O ARG A 69 -13.893 1.309 -0.315 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.486 4.411 -0.534 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.903 3.994 -0.890 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.609 5.063 -1.709 1.00 0.00 C ATOM 1151 NE ARG A 69 -17.049 4.829 -1.790 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.888 5.056 -0.786 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.434 5.521 0.369 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -19.185 4.818 -0.937 1.00 0.00 N ATOM 0 H ARG A 69 -10.854 3.875 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.063 3.237 1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.525 5.303 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.957 4.685 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.878 3.060 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.467 3.802 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.425 6.041 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.188 5.086 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.431 4.472 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.438 5.705 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.081 5.694 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.538 4.460 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.829 4.993 -0.165 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.902 1.604 -1.321 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.961 0.343 -2.050 1.00 0.00 C ATOM 1170 C ALA A 70 -11.676 -0.838 -1.128 1.00 0.00 C ATOM 1171 O ALA A 70 -12.470 -1.776 -1.043 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.977 0.358 -3.211 1.00 0.00 C ATOM 0 H ALA A 70 -11.058 2.151 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.970 0.227 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.032 -0.590 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.227 1.173 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.966 0.501 -2.829 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.540 -0.786 -0.442 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.152 -1.852 0.473 1.00 0.00 C ATOM 1180 C ILE A 71 -10.874 -1.719 1.810 1.00 0.00 C ATOM 1181 O ILE A 71 -11.182 -2.715 2.462 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.632 -1.855 0.722 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.220 -0.611 1.512 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.879 -1.924 -0.599 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.753 -0.590 1.883 1.00 0.00 C ATOM 0 H ILE A 71 -9.872 -0.017 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.437 -2.792 0.001 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.377 -2.737 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.450 0.277 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.818 -0.554 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.806 -1.925 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.154 -2.837 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.137 -1.059 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.532 0.320 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.521 -1.459 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.148 -0.616 0.977 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.141 -0.480 2.211 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.829 -0.216 3.470 1.00 0.00 C ATOM 1199 C ASN A 72 -13.142 -0.989 3.545 1.00 0.00 C ATOM 1200 O ASN A 72 -13.850 -1.129 2.549 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.097 1.282 3.624 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.085 1.582 4.735 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.086 0.921 5.774 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.931 2.582 4.520 1.00 0.00 N ATOM 0 H ASN A 72 -10.892 0.356 1.683 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.185 -0.549 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.158 1.797 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.481 1.678 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.619 2.830 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.893 3.102 3.643 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.460 -1.490 4.735 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.688 -2.249 4.941 1.00 0.00 C ATOM 1213 C ASN A 73 -14.741 -3.459 4.013 1.00 0.00 C ATOM 1214 O ASN A 73 -15.808 -3.839 3.531 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.909 -1.358 4.706 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.012 -0.239 5.724 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.819 -0.454 6.921 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.319 0.964 5.252 1.00 0.00 N ATOM 0 H ASN A 73 -12.884 -1.384 5.570 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.698 -2.603 5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.856 -0.931 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.813 -1.966 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.403 1.756 5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.470 1.096 4.252 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.582 -4.062 3.768 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.496 -5.230 2.900 1.00 0.00 C ATOM 1227 C LYS A 74 -12.421 -6.195 3.392 1.00 0.00 C ATOM 1228 O LYS A 74 -11.463 -5.787 4.048 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.192 -4.802 1.463 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.249 -5.944 0.463 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.680 -6.271 0.071 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.794 -7.676 -0.500 1.00 0.00 C ATOM 1233 NZ LYS A 74 -14.117 -7.795 -1.821 1.00 0.00 N ATOM 0 H LYS A 74 -12.689 -3.761 4.159 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.458 -5.741 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.904 -4.032 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.201 -4.350 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.679 -5.678 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.777 -6.828 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.328 -6.178 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.031 -5.548 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.355 -8.388 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.846 -7.941 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.217 -8.767 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.552 -7.133 -2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.108 -7.568 -1.716 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.588 -7.473 3.070 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.631 -8.495 3.479 1.00 0.00 C ATOM 1249 C GLN A 75 -10.788 -8.956 2.295 1.00 0.00 C ATOM 1250 O GLN A 75 -11.313 -9.239 1.218 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.361 -9.689 4.097 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.757 -9.905 3.536 1.00 0.00 C ATOM 1253 CD GLN A 75 -14.481 -11.058 4.203 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -14.048 -12.208 4.123 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.591 -10.756 4.866 1.00 0.00 N ATOM 0 H GLN A 75 -13.376 -7.826 2.527 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.968 -8.058 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.770 -10.590 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.430 -9.544 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.340 -8.993 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.689 -10.094 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.914 -9.789 4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.121 -11.491 5.335 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.477 -9.029 2.502 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.560 -9.456 1.451 1.00 0.00 C ATOM 1266 C LEU A 76 -7.657 -10.583 1.941 1.00 0.00 C ATOM 1267 O LEU A 76 -7.041 -10.482 3.003 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.710 -8.275 0.977 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.456 -7.169 0.229 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.166 -6.248 1.208 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.496 -6.380 -0.650 1.00 0.00 C ATOM 0 H LEU A 76 -9.026 -8.798 3.387 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.153 -9.828 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.221 -7.833 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.922 -8.657 0.328 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.207 -7.631 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.691 -5.467 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.882 -6.823 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.434 -5.792 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.043 -5.597 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.722 -5.928 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.034 -7.049 -1.376 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.580 -11.655 1.160 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.750 -12.801 1.514 1.00 0.00 C ATOM 1285 C PHE A 77 -7.219 -13.428 2.824 1.00 0.00 C ATOM 1286 O PHE A 77 -6.440 -14.060 3.536 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.284 -12.379 1.633 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.612 -12.166 0.307 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.853 -11.018 -0.430 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.739 -13.114 -0.202 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.237 -10.819 -1.651 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -3.120 -12.921 -1.423 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.368 -11.772 -2.147 1.00 0.00 C ATOM 0 H PHE A 77 -8.082 -11.754 0.278 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.843 -13.544 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.225 -11.458 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.739 -13.141 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.530 -10.270 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.540 -14.014 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.434 -9.920 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.443 -13.668 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.883 -11.618 -3.100 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.499 -13.246 3.136 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.050 -13.798 4.360 1.00 0.00 C ATOM 1305 C GLY A 78 -8.709 -12.963 5.578 1.00 0.00 C ATOM 1306 O GLY A 78 -8.150 -13.470 6.550 1.00 0.00 O ATOM 0 H GLY A 78 -9.164 -12.726 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.133 -13.872 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.672 -14.811 4.500 1.00 0.00 H new ATOM 1310 N ARG A 79 -9.045 -11.678 5.525 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.768 -10.770 6.631 1.00 0.00 C ATOM 1312 C ARG A 79 -9.362 -9.390 6.364 1.00 0.00 C ATOM 1313 O ARG A 79 -8.990 -8.718 5.402 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.260 -10.652 6.857 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.443 -10.739 5.578 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.992 -11.091 5.866 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.801 -12.528 6.042 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.779 -13.058 6.705 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.861 -12.273 7.251 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.675 -14.375 6.822 1.00 0.00 N ATOM 0 H ARG A 79 -9.509 -11.243 4.728 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.232 -11.179 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.048 -9.703 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.940 -11.442 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.877 -11.491 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.489 -9.787 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.365 -10.740 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.664 -10.569 6.765 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.490 -13.159 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.938 -11.260 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.077 -12.682 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.380 -14.981 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.890 -14.781 7.331 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.289 -8.974 7.221 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.935 -7.675 7.078 1.00 0.00 C ATOM 1336 C VAL A 80 -9.913 -6.545 7.126 1.00 0.00 C ATOM 1337 O VAL A 80 -9.515 -6.100 8.203 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.988 -7.447 8.179 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.658 -6.093 8.006 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -13.019 -8.566 8.170 1.00 0.00 C ATOM 0 H VAL A 80 -10.609 -9.518 8.022 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.430 -7.673 6.107 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.484 -7.455 9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.399 -5.950 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.907 -5.305 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.149 -6.052 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.755 -8.389 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.519 -8.592 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.522 -9.520 8.348 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.492 -6.085 5.953 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.517 -5.006 5.861 1.00 0.00 C ATOM 1352 C ILE A 81 -9.170 -3.652 6.119 1.00 0.00 C ATOM 1353 O ILE A 81 -10.252 -3.364 5.607 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.835 -4.979 4.481 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.123 -6.307 4.214 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.853 -3.820 4.398 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -6.053 -6.216 3.149 1.00 0.00 C ATOM 0 H ILE A 81 -9.811 -6.443 5.053 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.764 -5.196 6.626 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.599 -4.838 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.672 -6.661 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.861 -7.051 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.379 -3.814 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.385 -2.881 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.090 -3.933 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.591 -7.194 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.501 -5.892 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.294 -5.496 3.456 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.504 -2.822 6.915 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.017 -1.496 7.239 1.00 0.00 C ATOM 1371 C LYS A 82 -8.099 -0.409 6.689 1.00 0.00 C ATOM 1372 O LYS A 82 -6.879 -0.482 6.833 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.161 -1.339 8.755 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.438 -1.945 9.310 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.394 -3.463 9.281 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.586 -4.020 10.443 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.235 -3.742 11.754 1.00 0.00 N ATOM 0 H LYS A 82 -7.607 -3.044 7.348 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.997 -1.389 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.305 -1.805 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.133 -0.279 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.588 -1.604 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.291 -1.594 8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.409 -3.858 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.958 -3.797 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.465 -5.096 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.587 -3.584 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.866 -4.399 12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.030 -2.764 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.264 -3.868 11.666 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.695 0.600 6.061 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.931 1.704 5.493 1.00 0.00 C ATOM 1393 C ALA A 83 -8.335 3.032 6.124 1.00 0.00 C ATOM 1394 O ALA A 83 -9.500 3.243 6.458 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.119 1.755 3.984 1.00 0.00 C ATOM 0 H ALA A 83 -9.704 0.675 5.933 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.877 1.534 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.543 2.584 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.774 0.820 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.175 1.898 3.753 1.00 0.00 H new ATOM 1401 N SER A 84 -7.363 3.925 6.285 1.00 0.00 N ATOM 1402 CA SER A 84 -7.617 5.232 6.880 1.00 0.00 C ATOM 1403 C SER A 84 -6.435 6.170 6.656 1.00 0.00 C ATOM 1404 O SER A 84 -5.295 5.837 6.982 1.00 0.00 O ATOM 1405 CB SER A 84 -7.893 5.089 8.378 1.00 0.00 C ATOM 1406 OG SER A 84 -9.072 4.338 8.610 1.00 0.00 O ATOM 0 H SER A 84 -6.393 3.767 6.012 1.00 0.00 H new ATOM 0 HA SER A 84 -8.495 5.660 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.047 4.602 8.862 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.993 6.077 8.829 1.00 0.00 H new ATOM 0 HG SER A 84 -9.581 4.263 7.776 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.715 7.343 6.098 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.676 8.329 5.832 1.00 0.00 C ATOM 1414 C ILE A 85 -4.778 8.524 7.049 1.00 0.00 C ATOM 1415 O ILE A 85 -5.250 8.866 8.133 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.280 9.688 5.430 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.103 9.546 4.149 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.180 10.723 5.247 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.288 9.109 2.952 1.00 0.00 C ATOM 0 H ILE A 85 -7.653 7.633 5.822 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.081 7.945 5.003 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.941 10.026 6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.901 8.823 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.579 10.501 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.622 11.678 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.632 10.841 6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.496 10.393 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.937 9.029 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.506 9.843 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.833 8.140 3.156 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.481 8.307 6.861 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.516 8.462 7.942 1.00 0.00 C ATOM 1433 C ALA A 86 -1.716 9.751 7.783 1.00 0.00 C ATOM 1434 O ALA A 86 -0.718 9.788 7.063 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.581 7.262 7.992 1.00 0.00 C ATOM 0 H ALA A 86 -3.074 8.023 5.970 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.066 8.519 8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.866 7.392 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.162 6.355 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.045 7.179 7.046 1.00 0.00 H new ATOM 1441 N ILE A 87 -2.161 10.805 8.459 1.00 0.00 N ATOM 1442 CA ILE A 87 -1.487 12.095 8.392 1.00 0.00 C ATOM 1443 C ILE A 87 -0.412 12.210 9.468 1.00 0.00 C ATOM 1444 O ILE A 87 0.318 13.199 9.529 1.00 0.00 O ATOM 1445 CB ILE A 87 -2.482 13.260 8.551 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -2.820 13.473 10.028 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -3.745 12.990 7.746 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -3.505 12.286 10.668 1.00 0.00 C ATOM 0 H ILE A 87 -2.986 10.790 9.059 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.022 12.157 7.408 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.018 14.170 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.903 13.691 10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.463 14.348 10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.439 13.822 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.489 12.883 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.213 12.072 8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.715 12.508 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.440 12.080 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.855 11.413 10.605 1.00 0.00 H new TER 1460 ILE A 87