USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 267 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 11 CYS SG : rot -130:sc= 0.602 USER MOD Set 1.2: A 14 CYS SG : rot 163:sc= 0.605 USER MOD Set 1.3: A 27 HIS : no HE2:sc= -2.04! C(o=-0.57!,f=-3.2!) USER MOD Set 1.4: A 32 CYS SG : rot 112:sc= 0.271 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -145:sc= -1.17 (180deg=-3.63!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 28 GLN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -7.383 13.274 -0.174 1.00 1.00 N ATOM 11 CA SER A 2 -6.366 14.320 -0.117 1.00 1.00 C ATOM 12 C SER A 2 -5.279 13.967 0.895 1.00 1.00 C ATOM 13 O SER A 2 -4.191 13.528 0.523 1.00 1.00 O ATOM 14 CB SER A 2 -7.005 15.665 0.242 1.00 1.00 C ATOM 15 OG SER A 2 -6.833 16.605 -0.804 1.00 1.00 O ATOM 0 HA SER A 2 -5.905 14.400 -1.102 1.00 1.00 H new ATOM 0 HB2 SER A 2 -8.068 15.525 0.439 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.559 16.050 1.159 1.00 1.00 H new ATOM 0 HG SER A 2 -7.251 17.455 -0.552 1.00 1.00 H new ATOM 21 N LEU A 3 -5.580 14.162 2.175 1.00 1.00 N ATOM 22 CA LEU A 3 -4.628 13.864 3.238 1.00 1.00 C ATOM 23 C LEU A 3 -5.323 13.193 4.419 1.00 1.00 C ATOM 24 O LEU A 3 -6.521 13.377 4.633 1.00 1.00 O ATOM 25 CB LEU A 3 -3.931 15.144 3.702 1.00 1.00 C ATOM 26 CG LEU A 3 -4.868 16.305 4.040 1.00 1.00 C ATOM 27 CD1 LEU A 3 -4.332 17.098 5.223 1.00 1.00 C ATOM 28 CD2 LEU A 3 -5.052 17.209 2.831 1.00 1.00 C ATOM 0 H LEU A 3 -6.476 14.525 2.501 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.882 13.176 2.840 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -3.330 14.914 4.582 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -3.242 15.468 2.922 1.00 1.00 H new ATOM 0 HG LEU A 3 -5.840 15.894 4.315 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -5.012 17.920 5.448 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -4.251 16.445 6.092 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -3.348 17.498 4.977 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -5.721 18.030 3.089 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -4.086 17.611 2.527 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -5.481 16.635 2.010 1.00 1.00 H new ATOM 40 N LEU A 4 -4.563 12.414 5.182 1.00 1.00 N ATOM 41 CA LEU A 4 -5.107 11.715 6.341 1.00 1.00 C ATOM 42 C LEU A 4 -6.228 10.766 5.927 1.00 1.00 C ATOM 43 O LEU A 4 -7.152 10.505 6.697 1.00 1.00 O ATOM 44 CB LEU A 4 -5.622 12.723 7.373 1.00 1.00 C ATOM 45 CG LEU A 4 -4.787 12.824 8.651 1.00 1.00 C ATOM 46 CD1 LEU A 4 -4.740 11.482 9.365 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.381 13.308 8.330 1.00 1.00 C ATOM 0 H LEU A 4 -3.569 12.251 5.019 1.00 1.00 H new ATOM 0 HA LEU A 4 -4.308 11.125 6.790 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.666 13.707 6.907 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.643 12.453 7.644 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.258 13.549 9.315 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.142 11.573 10.272 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.752 11.174 9.627 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.292 10.736 8.708 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -2.800 13.374 9.250 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -2.901 12.606 7.648 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.433 14.291 7.862 1.00 1.00 H new ATOM 59 N LYS A 5 -6.139 10.251 4.705 1.00 1.00 N ATOM 60 CA LYS A 5 -7.144 9.330 4.187 1.00 1.00 C ATOM 61 C LYS A 5 -6.655 8.658 2.904 1.00 1.00 C ATOM 62 O LYS A 5 -6.667 9.268 1.834 1.00 1.00 O ATOM 63 CB LYS A 5 -8.455 10.074 3.920 1.00 1.00 C ATOM 64 CG LYS A 5 -9.482 9.915 5.030 1.00 1.00 C ATOM 65 CD LYS A 5 -10.609 8.981 4.620 1.00 1.00 C ATOM 66 CE LYS A 5 -10.278 7.533 4.941 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.475 6.777 5.401 1.00 1.00 N ATOM 0 H LYS A 5 -5.381 10.456 4.055 1.00 1.00 H new ATOM 0 HA LYS A 5 -7.318 8.558 4.937 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.240 11.134 3.784 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -8.884 9.713 2.985 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -8.995 9.527 5.925 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.893 10.891 5.289 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -11.526 9.268 5.134 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.797 9.084 3.551 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -9.863 7.051 4.056 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.509 7.499 5.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -11.206 5.794 5.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.857 7.221 6.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -12.200 6.787 4.655 1.00 1.00 H new ATOM 81 N PRO A 6 -6.214 7.389 2.990 1.00 1.00 N ATOM 82 CA PRO A 6 -5.721 6.647 1.825 1.00 1.00 C ATOM 83 C PRO A 6 -6.829 6.337 0.825 1.00 1.00 C ATOM 84 O PRO A 6 -7.941 5.971 1.208 1.00 1.00 O ATOM 85 CB PRO A 6 -5.168 5.354 2.429 1.00 1.00 C ATOM 86 CG PRO A 6 -5.904 5.190 3.714 1.00 1.00 C ATOM 87 CD PRO A 6 -6.162 6.580 4.223 1.00 1.00 C ATOM 0 HA PRO A 6 -4.982 7.218 1.263 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.335 4.505 1.766 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.093 5.423 2.595 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.839 4.650 3.562 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.316 4.615 4.430 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.097 6.637 4.781 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.370 6.917 4.892 1.00 1.00 H new ATOM 95 N ALA A 7 -6.519 6.485 -0.459 1.00 1.00 N ATOM 96 CA ALA A 7 -7.488 6.221 -1.515 1.00 1.00 C ATOM 97 C ALA A 7 -6.799 5.721 -2.780 1.00 1.00 C ATOM 98 O ALA A 7 -7.258 5.981 -3.893 1.00 1.00 O ATOM 99 CB ALA A 7 -8.297 7.474 -1.812 1.00 1.00 C ATOM 0 H ALA A 7 -5.604 6.787 -0.793 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.163 5.439 -1.168 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.017 7.263 -2.603 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -8.827 7.787 -0.912 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -7.627 8.271 -2.134 1.00 1.00 H new ATOM 105 N ARG A 8 -5.695 5.004 -2.603 1.00 1.00 N ATOM 106 CA ARG A 8 -4.943 4.468 -3.732 1.00 1.00 C ATOM 107 C ARG A 8 -4.420 3.069 -3.423 1.00 1.00 C ATOM 108 O ARG A 8 -3.703 2.864 -2.444 1.00 1.00 O ATOM 109 CB ARG A 8 -3.778 5.395 -4.081 1.00 1.00 C ATOM 110 CG ARG A 8 -4.198 6.634 -4.856 1.00 1.00 C ATOM 111 CD ARG A 8 -4.628 6.289 -6.273 1.00 1.00 C ATOM 112 NE ARG A 8 -3.881 7.050 -7.272 1.00 1.00 N ATOM 113 CZ ARG A 8 -4.142 8.317 -7.587 1.00 1.00 C ATOM 114 NH1 ARG A 8 -5.127 8.969 -6.980 1.00 1.00 N ATOM 115 NH2 ARG A 8 -3.417 8.934 -8.509 1.00 1.00 N ATOM 0 H ARG A 8 -5.301 4.780 -1.689 1.00 1.00 H new ATOM 0 HA ARG A 8 -5.616 4.404 -4.587 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -3.281 5.703 -3.161 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -3.046 4.840 -4.668 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -5.019 7.128 -4.336 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -3.370 7.342 -4.889 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -4.483 5.223 -6.446 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -5.693 6.489 -6.387 1.00 1.00 H new ATOM 0 HE ARG A 8 -3.114 6.583 -7.757 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -5.687 8.499 -6.269 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -5.323 9.940 -7.225 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.659 8.438 -8.978 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -3.617 9.905 -8.750 1.00 1.00 H new ATOM 129 N PHE A 9 -4.787 2.109 -4.266 1.00 1.00 N ATOM 130 CA PHE A 9 -4.358 0.726 -4.086 1.00 1.00 C ATOM 131 C PHE A 9 -3.421 0.296 -5.211 1.00 1.00 C ATOM 132 O PHE A 9 -3.792 -0.501 -6.073 1.00 1.00 O ATOM 133 CB PHE A 9 -5.573 -0.205 -4.033 1.00 1.00 C ATOM 134 CG PHE A 9 -6.652 0.158 -5.014 1.00 1.00 C ATOM 135 CD1 PHE A 9 -7.651 1.053 -4.664 1.00 1.00 C ATOM 136 CD2 PHE A 9 -6.667 -0.393 -6.285 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.644 1.391 -5.564 1.00 1.00 C ATOM 138 CE2 PHE A 9 -7.657 -0.060 -7.189 1.00 1.00 C ATOM 139 CZ PHE A 9 -8.647 0.833 -6.828 1.00 1.00 C ATOM 0 H PHE A 9 -5.381 2.263 -5.081 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.817 0.660 -3.142 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.246 -1.227 -4.227 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.989 -0.189 -3.026 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -7.653 1.491 -3.677 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -5.895 -1.092 -6.573 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -9.416 2.090 -5.280 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -7.657 -0.497 -8.177 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.422 1.095 -7.533 1.00 1.00 H new ATOM 149 N MET A 10 -2.204 0.829 -5.197 1.00 1.00 N ATOM 150 CA MET A 10 -1.213 0.501 -6.215 1.00 1.00 C ATOM 151 C MET A 10 0.180 0.940 -5.779 1.00 1.00 C ATOM 152 O MET A 10 0.411 2.115 -5.496 1.00 1.00 O ATOM 153 CB MET A 10 -1.577 1.166 -7.544 1.00 1.00 C ATOM 154 CG MET A 10 -0.619 0.829 -8.676 1.00 1.00 C ATOM 155 SD MET A 10 -0.842 1.893 -10.114 1.00 1.00 S ATOM 156 CE MET A 10 -0.535 0.733 -11.444 1.00 1.00 C ATOM 0 H MET A 10 -1.880 1.490 -4.491 1.00 1.00 H new ATOM 0 HA MET A 10 -1.209 -0.581 -6.347 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.584 0.862 -7.829 1.00 1.00 H new ATOM 0 HB3 MET A 10 -1.597 2.247 -7.406 1.00 1.00 H new ATOM 0 HG2 MET A 10 0.407 0.919 -8.318 1.00 1.00 H new ATOM 0 HG3 MET A 10 -0.763 -0.210 -8.972 1.00 1.00 H new ATOM 0 HE1 MET A 10 -0.033 1.245 -12.265 1.00 1.00 H new ATOM 0 HE2 MET A 10 0.097 -0.077 -11.081 1.00 1.00 H new ATOM 0 HE3 MET A 10 -1.482 0.324 -11.796 1.00 1.00 H new ATOM 166 N CYS A 11 1.106 -0.012 -5.728 1.00 1.00 N ATOM 167 CA CYS A 11 2.477 0.281 -5.326 1.00 1.00 C ATOM 168 C CYS A 11 3.346 0.582 -6.543 1.00 1.00 C ATOM 169 O CYS A 11 3.967 -0.314 -7.113 1.00 1.00 O ATOM 170 CB CYS A 11 3.069 -0.892 -4.540 1.00 1.00 C ATOM 171 SG CYS A 11 4.407 -0.415 -3.397 1.00 1.00 S ATOM 0 H CYS A 11 0.933 -0.990 -5.959 1.00 1.00 H new ATOM 0 HA CYS A 11 2.458 1.162 -4.685 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.274 -1.374 -3.972 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.452 -1.632 -5.243 1.00 1.00 H new ATOM 0 HG CYS A 11 5.437 -1.185 -3.589 1.00 1.00 H new ATOM 176 N LEU A 12 3.386 1.852 -6.934 1.00 1.00 N ATOM 177 CA LEU A 12 4.182 2.277 -8.084 1.00 1.00 C ATOM 178 C LEU A 12 5.641 1.840 -7.941 1.00 1.00 C ATOM 179 O LEU A 12 6.234 1.323 -8.888 1.00 1.00 O ATOM 180 CB LEU A 12 4.109 3.797 -8.264 1.00 1.00 C ATOM 181 CG LEU A 12 2.763 4.436 -7.910 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.818 5.068 -6.528 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.370 5.469 -8.955 1.00 1.00 C ATOM 0 H LEU A 12 2.877 2.606 -6.472 1.00 1.00 H new ATOM 0 HA LEU A 12 3.763 1.796 -8.968 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.883 4.256 -7.649 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.343 4.035 -9.302 1.00 1.00 H new ATOM 0 HG LEU A 12 2.004 3.653 -7.899 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.853 5.517 -6.294 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.051 4.303 -5.787 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.590 5.838 -6.510 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.411 5.912 -8.686 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.130 6.249 -9.000 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.287 4.987 -9.929 1.00 1.00 H new ATOM 195 N PRO A 13 6.243 2.040 -6.753 1.00 1.00 N ATOM 196 CA PRO A 13 7.640 1.660 -6.501 1.00 1.00 C ATOM 197 C PRO A 13 7.895 0.170 -6.722 1.00 1.00 C ATOM 198 O PRO A 13 9.044 -0.263 -6.814 1.00 1.00 O ATOM 199 CB PRO A 13 7.857 2.023 -5.027 1.00 1.00 C ATOM 200 CG PRO A 13 6.799 3.024 -4.716 1.00 1.00 C ATOM 201 CD PRO A 13 5.619 2.651 -5.565 1.00 1.00 C ATOM 0 HA PRO A 13 8.320 2.168 -7.184 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.769 1.145 -4.387 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.852 2.437 -4.865 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.541 3.003 -3.657 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.139 4.035 -4.942 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.958 1.952 -5.052 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.019 3.523 -5.828 1.00 1.00 H new ATOM 209 N CYS A 14 6.822 -0.611 -6.807 1.00 1.00 N ATOM 210 CA CYS A 14 6.930 -2.044 -7.016 1.00 1.00 C ATOM 211 C CYS A 14 6.349 -2.423 -8.371 1.00 1.00 C ATOM 212 O CYS A 14 6.777 -3.394 -8.995 1.00 1.00 O ATOM 213 CB CYS A 14 6.192 -2.789 -5.908 1.00 1.00 C ATOM 214 SG CYS A 14 7.104 -2.886 -4.334 1.00 1.00 S ATOM 0 H CYS A 14 5.864 -0.269 -6.733 1.00 1.00 H new ATOM 0 HA CYS A 14 7.983 -2.324 -6.994 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.235 -2.298 -5.731 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.972 -3.800 -6.250 1.00 1.00 H new ATOM 0 HG CYS A 14 6.285 -3.206 -3.377 1.00 1.00 H new ATOM 219 N GLY A 15 5.371 -1.643 -8.820 1.00 1.00 N ATOM 220 CA GLY A 15 4.747 -1.900 -10.092 1.00 1.00 C ATOM 221 C GLY A 15 3.659 -2.952 -10.006 1.00 1.00 C ATOM 222 O GLY A 15 3.420 -3.690 -10.962 1.00 1.00 O ATOM 0 H GLY A 15 5.002 -0.835 -8.318 1.00 1.00 H new ATOM 0 HA2 GLY A 15 4.322 -0.973 -10.478 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.505 -2.224 -10.805 1.00 1.00 H new ATOM 226 N ILE A 16 2.996 -3.017 -8.856 1.00 1.00 N ATOM 227 CA ILE A 16 1.923 -3.981 -8.642 1.00 1.00 C ATOM 228 C ILE A 16 0.661 -3.288 -8.141 1.00 1.00 C ATOM 229 O ILE A 16 0.615 -2.803 -7.010 1.00 1.00 O ATOM 230 CB ILE A 16 2.332 -5.068 -7.630 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.724 -5.611 -7.960 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.308 -6.192 -7.618 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.323 -6.449 -6.852 1.00 1.00 C ATOM 0 H ILE A 16 3.184 -2.412 -8.056 1.00 1.00 H new ATOM 0 HA ILE A 16 1.724 -4.452 -9.605 1.00 1.00 H new ATOM 0 HB ILE A 16 2.366 -4.622 -6.636 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.665 -6.212 -8.868 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.390 -4.775 -8.173 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.611 -6.952 -6.898 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.333 -5.793 -7.336 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.245 -6.637 -8.611 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.309 -6.801 -7.154 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.414 -5.846 -5.948 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.678 -7.305 -6.654 1.00 1.00 H new ATOM 245 N ALA A 17 -0.361 -3.242 -8.989 1.00 1.00 N ATOM 246 CA ALA A 17 -1.622 -2.605 -8.629 1.00 1.00 C ATOM 247 C ALA A 17 -2.569 -3.596 -7.962 1.00 1.00 C ATOM 248 O ALA A 17 -2.957 -4.600 -8.560 1.00 1.00 O ATOM 249 CB ALA A 17 -2.275 -1.994 -9.860 1.00 1.00 C ATOM 0 H ALA A 17 -0.341 -3.638 -9.929 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.407 -1.812 -7.913 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.216 -1.522 -9.576 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.609 -1.247 -10.292 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.468 -2.775 -10.595 1.00 1.00 H new ATOM 255 N PHE A 18 -2.936 -3.307 -6.718 1.00 1.00 N ATOM 256 CA PHE A 18 -3.831 -4.160 -5.961 1.00 1.00 C ATOM 257 C PHE A 18 -5.289 -3.827 -6.274 1.00 1.00 C ATOM 258 O PHE A 18 -5.581 -3.175 -7.276 1.00 1.00 O ATOM 259 CB PHE A 18 -3.543 -3.980 -4.473 1.00 1.00 C ATOM 260 CG PHE A 18 -2.430 -4.855 -3.970 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.600 -6.226 -3.867 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.212 -4.305 -3.605 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.576 -7.032 -3.408 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.185 -5.106 -3.145 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.366 -6.471 -3.047 1.00 1.00 C ATOM 0 H PHE A 18 -2.621 -2.479 -6.213 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.664 -5.200 -6.240 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.289 -2.937 -4.283 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.449 -4.196 -3.907 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.543 -6.670 -4.149 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -1.064 -3.238 -3.681 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.721 -8.099 -3.331 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.759 -4.665 -2.862 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.436 -7.099 -2.689 1.00 1.00 H new ATOM 275 N SER A 19 -6.201 -4.274 -5.415 1.00 1.00 N ATOM 276 CA SER A 19 -7.622 -4.016 -5.609 1.00 1.00 C ATOM 277 C SER A 19 -8.368 -4.049 -4.279 1.00 1.00 C ATOM 278 O SER A 19 -9.556 -4.368 -4.230 1.00 1.00 O ATOM 279 CB SER A 19 -8.222 -5.043 -6.570 1.00 1.00 C ATOM 280 OG SER A 19 -9.157 -4.438 -7.447 1.00 1.00 O ATOM 0 H SER A 19 -5.980 -4.816 -4.579 1.00 1.00 H new ATOM 0 HA SER A 19 -7.729 -3.021 -6.040 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.426 -5.512 -7.149 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.711 -5.834 -6.002 1.00 1.00 H new ATOM 0 HG SER A 19 -9.524 -5.116 -8.052 1.00 1.00 H new ATOM 286 N SER A 20 -7.663 -3.713 -3.202 1.00 1.00 N ATOM 287 CA SER A 20 -8.259 -3.699 -1.873 1.00 1.00 C ATOM 288 C SER A 20 -7.369 -2.943 -0.886 1.00 1.00 C ATOM 289 O SER A 20 -6.148 -3.087 -0.910 1.00 1.00 O ATOM 290 CB SER A 20 -8.496 -5.128 -1.379 1.00 1.00 C ATOM 291 OG SER A 20 -9.832 -5.301 -0.940 1.00 1.00 O ATOM 0 H SER A 20 -6.679 -3.447 -3.226 1.00 1.00 H new ATOM 0 HA SER A 20 -9.218 -3.184 -1.937 1.00 1.00 H new ATOM 0 HB2 SER A 20 -8.279 -5.834 -2.181 1.00 1.00 H new ATOM 0 HB3 SER A 20 -7.810 -5.352 -0.562 1.00 1.00 H new ATOM 0 HG SER A 20 -9.958 -6.222 -0.631 1.00 1.00 H new ATOM 297 N PRO A 21 -7.971 -2.126 -0.001 1.00 1.00 N ATOM 298 CA PRO A 21 -7.220 -1.350 0.994 1.00 1.00 C ATOM 299 C PRO A 21 -6.462 -2.242 1.971 1.00 1.00 C ATOM 300 O PRO A 21 -5.256 -2.086 2.160 1.00 1.00 O ATOM 301 CB PRO A 21 -8.302 -0.549 1.727 1.00 1.00 C ATOM 302 CG PRO A 21 -9.572 -1.285 1.466 1.00 1.00 C ATOM 303 CD PRO A 21 -9.422 -1.896 0.103 1.00 1.00 C ATOM 0 HA PRO A 21 -6.459 -0.725 0.527 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.093 -0.489 2.795 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.355 0.474 1.355 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.741 -2.052 2.221 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.428 -0.611 1.500 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.985 -2.825 0.013 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.782 -1.228 -0.680 1.00 1.00 H new ATOM 311 N SER A 22 -7.174 -3.179 2.588 1.00 1.00 N ATOM 312 CA SER A 22 -6.561 -4.097 3.541 1.00 1.00 C ATOM 313 C SER A 22 -5.435 -4.882 2.878 1.00 1.00 C ATOM 314 O SER A 22 -4.451 -5.241 3.525 1.00 1.00 O ATOM 315 CB SER A 22 -7.608 -5.058 4.107 1.00 1.00 C ATOM 316 OG SER A 22 -8.159 -4.558 5.313 1.00 1.00 O ATOM 0 H SER A 22 -8.174 -3.323 2.446 1.00 1.00 H new ATOM 0 HA SER A 22 -6.144 -3.511 4.360 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.402 -5.208 3.375 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.153 -6.032 4.288 1.00 1.00 H new ATOM 0 HG SER A 22 -8.827 -5.189 5.654 1.00 1.00 H new ATOM 322 N THR A 23 -5.583 -5.138 1.582 1.00 1.00 N ATOM 323 CA THR A 23 -4.571 -5.871 0.835 1.00 1.00 C ATOM 324 C THR A 23 -3.284 -5.063 0.757 1.00 1.00 C ATOM 325 O THR A 23 -2.187 -5.612 0.857 1.00 1.00 O ATOM 326 CB THR A 23 -5.074 -6.203 -0.571 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.277 -6.948 -0.510 1.00 1.00 O ATOM 328 CG2 THR A 23 -4.081 -7.001 -1.388 1.00 1.00 C ATOM 0 H THR A 23 -6.391 -4.849 1.030 1.00 1.00 H new ATOM 0 HA THR A 23 -4.367 -6.806 1.358 1.00 1.00 H new ATOM 0 HB THR A 23 -5.230 -5.240 -1.057 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.584 -7.149 -1.419 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.500 -7.203 -2.374 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.158 -6.432 -1.495 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.869 -7.944 -0.884 1.00 1.00 H new ATOM 336 N LEU A 24 -3.427 -3.752 0.600 1.00 1.00 N ATOM 337 CA LEU A 24 -2.277 -2.866 0.534 1.00 1.00 C ATOM 338 C LEU A 24 -1.452 -3.004 1.800 1.00 1.00 C ATOM 339 O LEU A 24 -0.226 -3.103 1.756 1.00 1.00 O ATOM 340 CB LEU A 24 -2.725 -1.413 0.364 1.00 1.00 C ATOM 341 CG LEU A 24 -3.975 -1.202 -0.489 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.220 0.282 -0.716 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.846 -1.931 -1.819 1.00 1.00 C ATOM 0 H LEU A 24 -4.328 -3.282 0.516 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.671 -3.145 -0.328 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.906 -0.990 1.352 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.905 -0.848 -0.080 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.830 -1.615 0.047 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -5.114 0.414 -1.325 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.359 0.779 0.244 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.363 0.718 -1.230 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.746 -1.768 -2.412 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.981 -1.549 -2.361 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.719 -2.998 -1.638 1.00 1.00 H new ATOM 355 N GLU A 25 -2.146 -3.024 2.928 1.00 1.00 N ATOM 356 CA GLU A 25 -1.493 -3.167 4.221 1.00 1.00 C ATOM 357 C GLU A 25 -0.771 -4.503 4.299 1.00 1.00 C ATOM 358 O GLU A 25 0.243 -4.637 4.984 1.00 1.00 O ATOM 359 CB GLU A 25 -2.517 -3.048 5.352 1.00 1.00 C ATOM 360 CG GLU A 25 -1.972 -2.368 6.597 1.00 1.00 C ATOM 361 CD GLU A 25 -1.224 -3.324 7.505 1.00 1.00 C ATOM 362 OE1 GLU A 25 -1.838 -4.311 7.963 1.00 1.00 O ATOM 363 OE2 GLU A 25 -0.024 -3.087 7.757 1.00 1.00 O ATOM 0 H GLU A 25 -3.162 -2.943 2.974 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.761 -2.367 4.333 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.381 -2.489 4.992 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -2.870 -4.044 5.617 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.306 -1.558 6.301 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.796 -1.917 7.150 1.00 1.00 H new ATOM 370 N ALA A 26 -1.297 -5.488 3.580 1.00 1.00 N ATOM 371 CA ALA A 26 -0.706 -6.805 3.549 1.00 1.00 C ATOM 372 C ALA A 26 0.613 -6.767 2.793 1.00 1.00 C ATOM 373 O ALA A 26 1.581 -7.431 3.165 1.00 1.00 O ATOM 374 CB ALA A 26 -1.662 -7.807 2.918 1.00 1.00 C ATOM 0 H ALA A 26 -2.137 -5.390 3.010 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.510 -7.125 4.572 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.198 -8.793 2.904 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.583 -7.847 3.500 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.891 -7.499 1.898 1.00 1.00 H new ATOM 380 N HIS A 27 0.641 -5.963 1.737 1.00 1.00 N ATOM 381 CA HIS A 27 1.836 -5.801 0.925 1.00 1.00 C ATOM 382 C HIS A 27 2.873 -5.008 1.702 1.00 1.00 C ATOM 383 O HIS A 27 4.025 -5.419 1.830 1.00 1.00 O ATOM 384 CB HIS A 27 1.483 -5.085 -0.381 1.00 1.00 C ATOM 385 CG HIS A 27 2.665 -4.754 -1.239 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.251 -5.638 -2.118 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.366 -3.597 -1.348 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.268 -5.005 -2.720 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.379 -3.763 -2.287 1.00 1.00 N ATOM 0 H HIS A 27 -0.157 -5.411 1.423 1.00 1.00 H new ATOM 0 HA HIS A 27 2.249 -6.781 0.683 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.798 -5.712 -0.952 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.950 -4.164 -0.145 1.00 1.00 H new ATOM 0 HD1 HIS A 27 2.963 -6.603 -2.282 1.00 1.00 H new ATOM 0 HD2 HIS A 27 3.169 -2.691 -0.794 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.912 -5.453 -3.462 1.00 1.00 H new ATOM 397 N GLN A 28 2.438 -3.877 2.238 1.00 1.00 N ATOM 398 CA GLN A 28 3.307 -3.021 3.032 1.00 1.00 C ATOM 399 C GLN A 28 3.714 -3.726 4.326 1.00 1.00 C ATOM 400 O GLN A 28 4.650 -3.304 5.007 1.00 1.00 O ATOM 401 CB GLN A 28 2.594 -1.705 3.357 1.00 1.00 C ATOM 402 CG GLN A 28 3.177 -0.501 2.636 1.00 1.00 C ATOM 403 CD GLN A 28 3.611 0.597 3.587 1.00 1.00 C ATOM 404 OE1 GLN A 28 2.831 1.488 3.922 1.00 1.00 O ATOM 405 NE2 GLN A 28 4.862 0.538 4.028 1.00 1.00 N ATOM 0 H GLN A 28 1.484 -3.530 2.137 1.00 1.00 H new ATOM 0 HA GLN A 28 4.205 -2.807 2.453 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.540 -1.799 3.096 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.642 -1.532 4.432 1.00 1.00 H new ATOM 0 HG2 GLN A 28 4.032 -0.819 2.040 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.436 -0.104 1.943 1.00 1.00 H new ATOM 0 HE21 GLN A 28 5.475 -0.219 3.724 1.00 1.00 H new ATOM 0 HE22 GLN A 28 5.210 1.249 4.671 1.00 1.00 H new ATOM 414 N ALA A 29 2.996 -4.797 4.665 1.00 1.00 N ATOM 415 CA ALA A 29 3.271 -5.553 5.880 1.00 1.00 C ATOM 416 C ALA A 29 4.545 -6.385 5.762 1.00 1.00 C ATOM 417 O ALA A 29 5.467 -6.230 6.563 1.00 1.00 O ATOM 418 CB ALA A 29 2.088 -6.448 6.218 1.00 1.00 C ATOM 0 H ALA A 29 2.219 -5.158 4.112 1.00 1.00 H new ATOM 0 HA ALA A 29 3.425 -4.835 6.685 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.304 -7.008 7.128 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.200 -5.835 6.372 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.911 -7.143 5.397 1.00 1.00 H new ATOM 424 N TYR A 30 4.591 -7.283 4.780 1.00 1.00 N ATOM 425 CA TYR A 30 5.757 -8.141 4.604 1.00 1.00 C ATOM 426 C TYR A 30 6.092 -8.377 3.131 1.00 1.00 C ATOM 427 O TYR A 30 6.918 -9.232 2.812 1.00 1.00 O ATOM 428 CB TYR A 30 5.515 -9.484 5.290 1.00 1.00 C ATOM 429 CG TYR A 30 5.842 -9.481 6.766 1.00 1.00 C ATOM 430 CD1 TYR A 30 5.023 -8.825 7.676 1.00 1.00 C ATOM 431 CD2 TYR A 30 6.968 -10.135 7.249 1.00 1.00 C ATOM 432 CE1 TYR A 30 5.317 -8.819 9.026 1.00 1.00 C ATOM 433 CE2 TYR A 30 7.269 -10.135 8.598 1.00 1.00 C ATOM 434 CZ TYR A 30 6.441 -9.476 9.482 1.00 1.00 C ATOM 435 OH TYR A 30 6.737 -9.473 10.825 1.00 1.00 O ATOM 0 H TYR A 30 3.844 -7.433 4.102 1.00 1.00 H new ATOM 0 HA TYR A 30 6.606 -7.629 5.056 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.470 -9.766 5.159 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.115 -10.248 4.796 1.00 1.00 H new ATOM 0 HD1 TYR A 30 4.141 -8.311 7.322 1.00 1.00 H new ATOM 0 HD2 TYR A 30 7.619 -10.652 6.559 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.671 -8.303 9.720 1.00 1.00 H new ATOM 0 HE2 TYR A 30 8.148 -10.649 8.958 1.00 1.00 H new ATOM 0 HH TYR A 30 7.560 -9.981 10.980 1.00 1.00 H new ATOM 445 N TYR A 31 5.457 -7.630 2.234 1.00 1.00 N ATOM 446 CA TYR A 31 5.713 -7.791 0.808 1.00 1.00 C ATOM 447 C TYR A 31 6.624 -6.685 0.282 1.00 1.00 C ATOM 448 O TYR A 31 7.570 -6.950 -0.459 1.00 1.00 O ATOM 449 CB TYR A 31 4.397 -7.807 0.033 1.00 1.00 C ATOM 450 CG TYR A 31 4.347 -8.858 -1.053 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.984 -10.167 -0.760 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.663 -8.544 -2.369 1.00 1.00 C ATOM 453 CE1 TYR A 31 3.937 -11.132 -1.747 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.618 -9.504 -3.362 1.00 1.00 C ATOM 455 CZ TYR A 31 4.255 -10.796 -3.046 1.00 1.00 C ATOM 456 OH TYR A 31 4.209 -11.755 -4.032 1.00 1.00 O ATOM 0 H TYR A 31 4.768 -6.914 2.466 1.00 1.00 H new ATOM 0 HA TYR A 31 6.222 -8.744 0.662 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.577 -7.977 0.730 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.237 -6.826 -0.414 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.735 -10.434 0.256 1.00 1.00 H new ATOM 0 HD2 TYR A 31 4.948 -7.533 -2.620 1.00 1.00 H new ATOM 0 HE1 TYR A 31 3.653 -12.145 -1.503 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.866 -9.244 -4.380 1.00 1.00 H new ATOM 0 HH TYR A 31 4.460 -11.354 -4.890 1.00 1.00 H new ATOM 466 N CYS A 32 6.336 -5.448 0.671 1.00 1.00 N ATOM 467 CA CYS A 32 7.137 -4.309 0.236 1.00 1.00 C ATOM 468 C CYS A 32 8.467 -4.266 0.980 1.00 1.00 C ATOM 469 O CYS A 32 8.518 -3.923 2.162 1.00 1.00 O ATOM 470 CB CYS A 32 6.373 -3.002 0.459 1.00 1.00 C ATOM 471 SG CYS A 32 6.742 -1.709 -0.771 1.00 1.00 S ATOM 0 H CYS A 32 5.557 -5.208 1.284 1.00 1.00 H new ATOM 0 HA CYS A 32 7.338 -4.425 -0.829 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.303 -3.211 0.442 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.607 -2.621 1.453 1.00 1.00 H new ATOM 0 HG CYS A 32 5.693 -1.501 -1.510 1.00 1.00 H new ATOM 476 N SER A 33 9.544 -4.618 0.280 1.00 1.00 N ATOM 477 CA SER A 33 10.882 -4.623 0.869 1.00 1.00 C ATOM 478 C SER A 33 10.878 -5.280 2.248 1.00 1.00 C ATOM 479 O SER A 33 9.905 -5.928 2.635 1.00 1.00 O ATOM 480 CB SER A 33 11.419 -3.195 0.973 1.00 1.00 C ATOM 481 OG SER A 33 11.171 -2.468 -0.218 1.00 1.00 O ATOM 0 H SER A 33 9.516 -4.904 -0.699 1.00 1.00 H new ATOM 0 HA SER A 33 11.533 -5.205 0.217 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.951 -2.688 1.816 1.00 1.00 H new ATOM 0 HB3 SER A 33 12.491 -3.220 1.171 1.00 1.00 H new ATOM 0 HG SER A 33 11.522 -1.558 -0.125 1.00 1.00 H new ATOM 487 N HIS A 34 11.971 -5.108 2.985 1.00 1.00 N ATOM 488 CA HIS A 34 12.092 -5.684 4.319 1.00 1.00 C ATOM 489 C HIS A 34 11.928 -4.613 5.392 1.00 1.00 C ATOM 490 O HIS A 34 12.909 -4.150 5.976 1.00 1.00 O ATOM 491 CB HIS A 34 13.445 -6.378 4.476 1.00 1.00 C ATOM 492 CG HIS A 34 13.680 -7.464 3.473 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.761 -7.230 2.116 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.851 -8.798 3.634 1.00 1.00 C ATOM 495 CE1 HIS A 34 13.971 -8.373 1.486 1.00 1.00 C ATOM 496 NE2 HIS A 34 14.030 -9.338 2.384 1.00 1.00 N ATOM 0 H HIS A 34 12.785 -4.574 2.681 1.00 1.00 H new ATOM 0 HA HIS A 34 11.298 -6.420 4.443 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.238 -5.635 4.387 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.514 -6.800 5.479 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.847 -9.336 4.570 1.00 1.00 H new ATOM 0 HE1 HIS A 34 14.076 -8.496 0.418 1.00 1.00 H new ATOM 0 HE2 HIS A 34 14.184 -10.326 2.182 1.00 1.00 H new ATOM 505 N ARG A 35 10.684 -4.223 5.647 1.00 1.00 N ATOM 506 CA ARG A 35 10.392 -3.206 6.651 1.00 1.00 C ATOM 507 C ARG A 35 10.435 -3.808 8.052 1.00 1.00 C ATOM 508 O ARG A 35 9.810 -4.834 8.318 1.00 1.00 O ATOM 509 CB ARG A 35 9.018 -2.581 6.386 1.00 1.00 C ATOM 510 CG ARG A 35 8.577 -1.586 7.450 1.00 1.00 C ATOM 511 CD ARG A 35 9.077 -0.184 7.140 1.00 1.00 C ATOM 512 NE ARG A 35 8.326 0.436 6.050 1.00 1.00 N ATOM 513 CZ ARG A 35 8.302 1.747 5.818 1.00 1.00 C ATOM 514 NH1 ARG A 35 8.987 2.578 6.594 1.00 1.00 N ATOM 515 NH2 ARG A 35 7.592 2.228 4.807 1.00 1.00 N ATOM 0 H ARG A 35 9.862 -4.596 5.172 1.00 1.00 H new ATOM 0 HA ARG A 35 11.152 -2.428 6.586 1.00 1.00 H new ATOM 0 HB2 ARG A 35 9.039 -2.078 5.419 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.276 -3.376 6.316 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.489 -1.580 7.516 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.953 -1.901 8.423 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.997 0.435 8.033 1.00 1.00 H new ATOM 0 HD3 ARG A 35 10.133 -0.226 6.875 1.00 1.00 H new ATOM 0 HE ARG A 35 7.789 -0.171 5.431 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.536 2.213 7.373 1.00 1.00 H new ATOM 0 HH12 ARG A 35 8.965 3.581 6.411 1.00 1.00 H new ATOM 0 HH21 ARG A 35 7.064 1.594 4.207 1.00 1.00 H new ATOM 0 HH22 ARG A 35 7.573 3.232 4.629 1.00 1.00 H new ATOM 529 N ILE A 36 11.177 -3.162 8.946 1.00 1.00 N ATOM 530 CA ILE A 36 11.301 -3.633 10.320 1.00 1.00 C ATOM 531 C ILE A 36 10.684 -2.637 11.298 1.00 1.00 C ATOM 532 O ILE A 36 10.186 -3.079 12.355 1.00 1.00 O ATOM 533 CB ILE A 36 12.776 -3.872 10.701 1.00 1.00 C ATOM 534 CG1 ILE A 36 12.877 -4.444 12.117 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.573 -2.581 10.585 1.00 1.00 C ATOM 536 CD1 ILE A 36 14.252 -4.980 12.455 1.00 1.00 C ATOM 537 OXT ILE A 36 10.704 -1.425 10.999 1.00 1.00 O ATOM 0 H ILE A 36 11.701 -2.311 8.743 1.00 1.00 H new ATOM 0 HA ILE A 36 10.763 -4.579 10.383 1.00 1.00 H new ATOM 0 HB ILE A 36 13.199 -4.598 10.007 1.00 1.00 H new ATOM 0 HG12 ILE A 36 12.612 -3.667 12.834 1.00 1.00 H new ATOM 0 HG13 ILE A 36 12.146 -5.244 12.230 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.611 -2.769 10.858 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.528 -2.216 9.559 1.00 1.00 H new ATOM 0 HG23 ILE A 36 13.152 -1.832 11.255 1.00 1.00 H new ATOM 0 HD11 ILE A 36 14.251 -5.369 13.473 1.00 1.00 H new ATOM 0 HD12 ILE A 36 14.512 -5.780 11.761 1.00 1.00 H new ATOM 0 HD13 ILE A 36 14.985 -4.178 12.374 1.00 1.00 H new