USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -126:sc= 0.133 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-1.3!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 84 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 158:sc= -0.0885 (180deg=-0.844) USER MOD Single : A 92 SER OG : rot -37:sc= 0.846 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 100 ASN : amide:sc= -0.845 K(o=-0.84,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.59) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.0726 (180deg=-0.589) USER MOD Single : A 117 SER OG : rot -29:sc= 0.733 USER MOD Single : A 119 ASN : amide:sc= -0.0178 K(o=-0.018,f=-2!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0.00577 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 15.001 -34.487 6.155 1.00 0.00 N ATOM 2 CA GLY A -4 14.768 -33.217 6.900 1.00 0.00 C ATOM 3 C GLY A -4 13.319 -33.157 7.371 1.00 0.00 C ATOM 4 O GLY A -4 12.597 -34.153 7.314 1.00 0.00 O ATOM 0 H1 GLY A -4 15.810 -34.991 6.572 1.00 0.00 H new ATOM 0 H2 GLY A -4 14.152 -35.085 6.215 1.00 0.00 H new ATOM 0 H3 GLY A -4 15.204 -34.272 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A -4 15.441 -33.157 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A -4 14.988 -32.363 6.260 1.00 0.00 H new ATOM 10 N PRO A -3 12.885 -32.013 7.834 1.00 0.00 N ATOM 11 CA PRO A -3 11.487 -31.815 8.329 1.00 0.00 C ATOM 12 C PRO A -3 10.446 -32.230 7.287 1.00 0.00 C ATOM 13 O PRO A -3 9.412 -32.806 7.623 1.00 0.00 O ATOM 14 CB PRO A -3 11.426 -30.304 8.612 1.00 0.00 C ATOM 15 CG PRO A -3 12.841 -29.920 8.887 1.00 0.00 C ATOM 16 CD PRO A -3 13.679 -30.777 7.945 1.00 0.00 C ATOM 0 HA PRO A -3 11.261 -32.426 9.203 1.00 0.00 H new ATOM 0 HB2 PRO A -3 11.024 -29.756 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A -3 10.782 -30.085 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A -3 13.004 -28.858 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A -3 13.104 -30.107 9.928 1.00 0.00 H new ATOM 0 HD2 PRO A -3 13.817 -30.297 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A -3 14.673 -30.970 8.350 1.00 0.00 H new ATOM 24 N LEU A -2 10.733 -31.934 6.018 1.00 0.00 N ATOM 25 CA LEU A -2 9.822 -32.279 4.928 1.00 0.00 C ATOM 26 C LEU A -2 10.605 -32.537 3.640 1.00 0.00 C ATOM 27 O LEU A -2 10.558 -33.633 3.082 1.00 0.00 O ATOM 28 CB LEU A -2 8.817 -31.138 4.711 1.00 0.00 C ATOM 29 CG LEU A -2 7.857 -31.474 3.559 1.00 0.00 C ATOM 30 CD1 LEU A -2 7.064 -32.752 3.879 1.00 0.00 C ATOM 31 CD2 LEU A -2 6.889 -30.304 3.360 1.00 0.00 C ATOM 0 H LEU A -2 11.585 -31.458 5.722 1.00 0.00 H new ATOM 0 HA LEU A -2 9.283 -33.188 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A -2 8.250 -30.967 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A -2 9.350 -30.214 4.489 1.00 0.00 H new ATOM 0 HG LEU A -2 8.432 -31.641 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A -2 6.388 -32.977 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A -2 7.755 -33.583 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A -2 6.486 -32.603 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A -2 6.204 -30.534 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A -2 6.321 -30.142 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A -2 7.452 -29.403 3.118 1.00 0.00 H new ATOM 43 N GLY A -1 11.323 -31.517 3.173 1.00 0.00 N ATOM 44 CA GLY A -1 12.112 -31.635 1.948 1.00 0.00 C ATOM 45 C GLY A -1 12.218 -30.285 1.246 1.00 0.00 C ATOM 46 O GLY A -1 11.292 -29.853 0.562 1.00 0.00 O ATOM 0 H GLY A -1 11.375 -30.603 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.109 -32.007 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A -1 11.651 -32.363 1.281 1.00 0.00 H new ATOM 50 N SER A 0 13.355 -29.625 1.418 1.00 0.00 N ATOM 51 CA SER A 0 13.569 -28.321 0.800 1.00 0.00 C ATOM 52 C SER A 0 13.703 -28.464 -0.710 1.00 0.00 C ATOM 53 O SER A 0 13.655 -27.478 -1.445 1.00 0.00 O ATOM 54 CB SER A 0 14.829 -27.672 1.372 1.00 0.00 C ATOM 55 OG SER A 0 15.967 -28.436 0.996 1.00 0.00 O ATOM 0 H SER A 0 14.138 -29.966 1.975 1.00 0.00 H new ATOM 0 HA SER A 0 12.709 -27.688 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.925 -26.651 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 0 14.760 -27.613 2.458 1.00 0.00 H new ATOM 0 HG SER A 0 16.776 -28.020 1.361 1.00 0.00 H new ATOM 61 N ARG A 74 13.876 -29.698 -1.160 1.00 0.00 N ATOM 62 CA ARG A 74 14.024 -29.970 -2.582 1.00 0.00 C ATOM 63 C ARG A 74 12.720 -29.695 -3.324 1.00 0.00 C ATOM 64 O ARG A 74 12.736 -29.342 -4.503 1.00 0.00 O ATOM 65 CB ARG A 74 14.425 -31.434 -2.791 1.00 0.00 C ATOM 66 CG ARG A 74 15.765 -31.736 -2.100 1.00 0.00 C ATOM 67 CD ARG A 74 16.930 -31.110 -2.874 1.00 0.00 C ATOM 68 NE ARG A 74 18.198 -31.565 -2.321 1.00 0.00 N ATOM 69 CZ ARG A 74 19.350 -31.107 -2.792 1.00 0.00 C ATOM 70 NH1 ARG A 74 19.352 -30.236 -3.764 1.00 0.00 N ATOM 71 NH2 ARG A 74 20.479 -31.523 -2.284 1.00 0.00 N ATOM 0 H ARG A 74 13.917 -30.524 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 74 14.799 -29.314 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.650 -32.089 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.505 -31.646 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.749 -31.348 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 74 15.908 -32.814 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.865 -31.382 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 74 16.870 -30.023 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 74 18.200 -32.245 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.470 -29.910 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.236 -29.881 -4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.476 -32.202 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.363 -31.169 -2.648 1.00 0.00 H new ATOM 85 N LYS A 75 11.586 -29.860 -2.638 1.00 0.00 N ATOM 86 CA LYS A 75 10.279 -29.626 -3.260 1.00 0.00 C ATOM 87 C LYS A 75 9.774 -28.227 -2.945 1.00 0.00 C ATOM 88 O LYS A 75 8.753 -27.786 -3.473 1.00 0.00 O ATOM 89 CB LYS A 75 9.272 -30.667 -2.772 1.00 0.00 C ATOM 90 CG LYS A 75 9.388 -30.798 -1.252 1.00 0.00 C ATOM 91 CD LYS A 75 8.231 -31.638 -0.697 1.00 0.00 C ATOM 92 CE LYS A 75 8.475 -33.123 -0.977 1.00 0.00 C ATOM 93 NZ LYS A 75 7.418 -33.929 -0.304 1.00 0.00 N ATOM 0 H LYS A 75 11.545 -30.152 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 75 10.392 -29.716 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.260 -30.370 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.464 -31.628 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.340 -31.262 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.380 -29.809 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.135 -31.474 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.292 -31.324 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.463 -33.310 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.460 -33.417 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.580 -34.939 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.451 -33.758 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.485 -33.654 -0.671 1.00 0.00 H new ATOM 107 N ILE A 76 10.503 -27.535 -2.088 1.00 0.00 N ATOM 108 CA ILE A 76 10.136 -26.171 -1.705 1.00 0.00 C ATOM 109 C ILE A 76 10.719 -25.167 -2.689 1.00 0.00 C ATOM 110 O ILE A 76 11.927 -25.136 -2.917 1.00 0.00 O ATOM 111 CB ILE A 76 10.641 -25.853 -0.294 1.00 0.00 C ATOM 112 CG1 ILE A 76 9.977 -26.804 0.714 1.00 0.00 C ATOM 113 CG2 ILE A 76 10.285 -24.406 0.059 1.00 0.00 C ATOM 114 CD1 ILE A 76 10.598 -26.647 2.115 1.00 0.00 C ATOM 0 H ILE A 76 11.350 -27.887 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 76 9.049 -26.098 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 76 11.723 -25.982 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.907 -26.600 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.090 -27.834 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.643 -24.178 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.755 -23.731 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.203 -24.278 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.109 -27.332 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.663 -26.876 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.462 -25.622 2.461 1.00 0.00 H new ATOM 126 N ALA A 77 9.853 -24.341 -3.267 1.00 0.00 N ATOM 127 CA ALA A 77 10.301 -23.338 -4.221 1.00 0.00 C ATOM 128 C ALA A 77 11.122 -22.269 -3.510 1.00 0.00 C ATOM 129 O ALA A 77 10.722 -21.762 -2.463 1.00 0.00 O ATOM 130 CB ALA A 77 9.093 -22.691 -4.903 1.00 0.00 C ATOM 0 H ALA A 77 8.848 -24.347 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 77 10.923 -23.822 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.436 -21.941 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.519 -23.455 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.462 -22.216 -4.152 1.00 0.00 H new ATOM 136 N GLN A 78 12.271 -21.928 -4.086 1.00 0.00 N ATOM 137 CA GLN A 78 13.142 -20.913 -3.498 1.00 0.00 C ATOM 138 C GLN A 78 12.699 -19.518 -3.922 1.00 0.00 C ATOM 139 O GLN A 78 12.181 -19.329 -5.023 1.00 0.00 O ATOM 140 CB GLN A 78 14.588 -21.151 -3.936 1.00 0.00 C ATOM 141 CG GLN A 78 15.120 -22.422 -3.271 1.00 0.00 C ATOM 142 CD GLN A 78 16.482 -22.784 -3.854 1.00 0.00 C ATOM 143 OE1 GLN A 78 16.755 -22.498 -5.020 1.00 0.00 O ATOM 144 NE2 GLN A 78 17.358 -23.398 -3.106 1.00 0.00 N ATOM 0 H GLN A 78 12.620 -22.336 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 78 13.076 -20.986 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.640 -21.246 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.208 -20.297 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.204 -22.271 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.420 -23.243 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.128 -23.633 -2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.272 -23.642 -3.487 1.00 0.00 H new ATOM 153 N MET A 79 12.903 -18.542 -3.042 1.00 0.00 N ATOM 154 CA MET A 79 12.517 -17.166 -3.340 1.00 0.00 C ATOM 155 C MET A 79 13.543 -16.511 -4.262 1.00 0.00 C ATOM 156 O MET A 79 14.744 -16.759 -4.148 1.00 0.00 O ATOM 157 CB MET A 79 12.396 -16.361 -2.043 1.00 0.00 C ATOM 158 CG MET A 79 11.531 -17.123 -1.031 1.00 0.00 C ATOM 159 SD MET A 79 12.547 -18.354 -0.173 1.00 0.00 S ATOM 160 CE MET A 79 11.274 -18.961 0.964 1.00 0.00 C ATOM 0 H MET A 79 13.329 -18.676 -2.125 1.00 0.00 H new ATOM 0 HA MET A 79 11.551 -17.180 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.386 -16.180 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.954 -15.386 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.097 -16.428 -0.311 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.701 -17.612 -1.541 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.695 -19.742 1.598 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.920 -18.139 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.440 -19.368 0.392 1.00 0.00 H new ATOM 170 N THR A 80 13.058 -15.676 -5.176 1.00 0.00 N ATOM 171 CA THR A 80 13.934 -14.986 -6.119 1.00 0.00 C ATOM 172 C THR A 80 14.567 -13.765 -5.465 1.00 0.00 C ATOM 173 O THR A 80 14.173 -13.360 -4.372 1.00 0.00 O ATOM 174 CB THR A 80 13.147 -14.561 -7.359 1.00 0.00 C ATOM 175 OG1 THR A 80 12.175 -13.594 -6.994 1.00 0.00 O ATOM 176 CG2 THR A 80 12.455 -15.782 -7.966 1.00 0.00 C ATOM 0 H THR A 80 12.067 -15.461 -5.284 1.00 0.00 H new ATOM 0 HA THR A 80 14.725 -15.673 -6.418 1.00 0.00 H new ATOM 0 HB THR A 80 13.828 -14.129 -8.093 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.672 -13.320 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.894 -15.480 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.204 -16.522 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.773 -16.215 -7.234 1.00 0.00 H new ATOM 184 N GLU A 82 15.556 -13.185 -6.134 1.00 0.00 N ATOM 185 CA GLU A 82 16.235 -12.013 -5.597 1.00 0.00 C ATOM 186 C GLU A 82 15.239 -10.872 -5.400 1.00 0.00 C ATOM 187 O GLU A 82 15.294 -10.152 -4.403 1.00 0.00 O ATOM 188 CB GLU A 82 17.341 -11.569 -6.556 1.00 0.00 C ATOM 189 CG GLU A 82 18.476 -12.594 -6.543 1.00 0.00 C ATOM 190 CD GLU A 82 19.513 -12.239 -7.604 1.00 0.00 C ATOM 191 OE1 GLU A 82 19.229 -11.372 -8.414 1.00 0.00 O ATOM 192 OE2 GLU A 82 20.574 -12.840 -7.591 1.00 0.00 O ATOM 0 H GLU A 82 15.903 -13.503 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 82 16.674 -12.272 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.942 -11.467 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.719 -10.590 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.944 -12.618 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.078 -13.591 -6.731 1.00 0.00 H new ATOM 199 N GLU A 83 14.323 -10.720 -6.352 1.00 0.00 N ATOM 200 CA GLU A 83 13.313 -9.670 -6.263 1.00 0.00 C ATOM 201 C GLU A 83 12.403 -9.899 -5.057 1.00 0.00 C ATOM 202 O GLU A 83 12.027 -8.955 -4.364 1.00 0.00 O ATOM 203 CB GLU A 83 12.473 -9.643 -7.540 1.00 0.00 C ATOM 204 CG GLU A 83 13.332 -9.156 -8.707 1.00 0.00 C ATOM 205 CD GLU A 83 13.647 -7.673 -8.537 1.00 0.00 C ATOM 206 OE1 GLU A 83 12.984 -7.036 -7.735 1.00 0.00 O ATOM 207 OE2 GLU A 83 14.547 -7.199 -9.210 1.00 0.00 O ATOM 0 H GLU A 83 14.259 -11.304 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 83 13.822 -8.714 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.083 -10.639 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.614 -8.986 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.257 -9.730 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.808 -9.320 -9.649 1.00 0.00 H new ATOM 214 N GLN A 84 12.054 -11.158 -4.813 1.00 0.00 N ATOM 215 CA GLN A 84 11.188 -11.496 -3.688 1.00 0.00 C ATOM 216 C GLN A 84 11.860 -11.140 -2.367 1.00 0.00 C ATOM 217 O GLN A 84 11.213 -10.660 -1.437 1.00 0.00 O ATOM 218 CB GLN A 84 10.852 -12.991 -3.712 1.00 0.00 C ATOM 219 CG GLN A 84 9.895 -13.290 -4.872 1.00 0.00 C ATOM 220 CD GLN A 84 8.535 -12.647 -4.617 1.00 0.00 C ATOM 221 OE1 GLN A 84 8.146 -11.715 -5.321 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.782 -13.095 -3.649 1.00 0.00 N ATOM 0 H GLN A 84 12.354 -11.955 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 84 10.267 -10.919 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.765 -13.576 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.396 -13.286 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.314 -12.912 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.779 -14.368 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.106 -13.867 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.870 -12.673 -3.475 1.00 0.00 H new ATOM 231 N PHE A 85 13.162 -11.382 -2.287 1.00 0.00 N ATOM 232 CA PHE A 85 13.909 -11.085 -1.072 1.00 0.00 C ATOM 233 C PHE A 85 13.869 -9.586 -0.774 1.00 0.00 C ATOM 234 O PHE A 85 13.683 -9.174 0.371 1.00 0.00 O ATOM 235 CB PHE A 85 15.358 -11.549 -1.224 1.00 0.00 C ATOM 236 CG PHE A 85 16.074 -11.405 0.098 1.00 0.00 C ATOM 237 CD1 PHE A 85 15.756 -12.266 1.154 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.055 -10.419 0.270 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.417 -12.146 2.381 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.716 -10.299 1.498 1.00 0.00 C ATOM 241 CZ PHE A 85 17.397 -11.162 2.554 1.00 0.00 C ATOM 0 H PHE A 85 13.719 -11.780 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 85 13.449 -11.618 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.386 -12.588 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.862 -10.958 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 85 14.999 -13.025 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.301 -9.753 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.171 -12.812 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.473 -9.540 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 85 17.907 -11.068 3.501 1.00 0.00 H new ATOM 251 N ALA A 86 14.045 -8.773 -1.813 1.00 0.00 N ATOM 252 CA ALA A 86 14.027 -7.322 -1.646 1.00 0.00 C ATOM 253 C ALA A 86 12.674 -6.857 -1.105 1.00 0.00 C ATOM 254 O ALA A 86 12.609 -5.985 -0.237 1.00 0.00 O ATOM 255 CB ALA A 86 14.298 -6.639 -2.987 1.00 0.00 C ATOM 0 H ALA A 86 14.200 -9.090 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 86 14.805 -7.050 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.283 -5.557 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.275 -6.945 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.529 -6.927 -3.704 1.00 0.00 H new ATOM 261 N LEU A 87 11.597 -7.447 -1.617 1.00 0.00 N ATOM 262 CA LEU A 87 10.253 -7.086 -1.167 1.00 0.00 C ATOM 263 C LEU A 87 10.073 -7.450 0.309 1.00 0.00 C ATOM 264 O LEU A 87 9.433 -6.718 1.064 1.00 0.00 O ATOM 265 CB LEU A 87 9.188 -7.811 -2.026 1.00 0.00 C ATOM 266 CG LEU A 87 8.743 -6.930 -3.204 1.00 0.00 C ATOM 267 CD1 LEU A 87 9.903 -6.729 -4.180 1.00 0.00 C ATOM 268 CD2 LEU A 87 7.583 -7.616 -3.930 1.00 0.00 C ATOM 0 H LEU A 87 11.626 -8.170 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 87 10.125 -6.010 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.595 -8.750 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.326 -8.062 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 87 8.426 -5.958 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.576 -6.103 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.732 -6.244 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.229 -7.697 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.261 -6.997 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.910 -8.587 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.751 -7.753 -3.239 1.00 0.00 H new ATOM 280 N ALA A 88 10.635 -8.586 0.709 1.00 0.00 N ATOM 281 CA ALA A 88 10.518 -9.033 2.093 1.00 0.00 C ATOM 282 C ALA A 88 11.132 -8.004 3.037 1.00 0.00 C ATOM 283 O ALA A 88 10.585 -7.716 4.101 1.00 0.00 O ATOM 284 CB ALA A 88 11.230 -10.377 2.269 1.00 0.00 C ATOM 0 H ALA A 88 11.170 -9.208 0.103 1.00 0.00 H new ATOM 0 HA ALA A 88 9.461 -9.148 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.138 -10.704 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.775 -11.119 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.284 -10.266 2.015 1.00 0.00 H new ATOM 290 N LEU A 89 12.269 -7.448 2.635 1.00 0.00 N ATOM 291 CA LEU A 89 12.946 -6.447 3.450 1.00 0.00 C ATOM 292 C LEU A 89 12.083 -5.195 3.591 1.00 0.00 C ATOM 293 O LEU A 89 12.012 -4.597 4.662 1.00 0.00 O ATOM 294 CB LEU A 89 14.283 -6.074 2.805 1.00 0.00 C ATOM 295 CG LEU A 89 15.258 -7.258 2.896 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.497 -6.949 2.048 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.680 -7.502 4.362 1.00 0.00 C ATOM 0 H LEU A 89 12.738 -7.671 1.757 1.00 0.00 H new ATOM 0 HA LEU A 89 13.120 -6.867 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.129 -5.799 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.707 -5.203 3.305 1.00 0.00 H new ATOM 0 HG LEU A 89 14.765 -8.156 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.195 -7.784 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.199 -6.797 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.979 -6.046 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.370 -8.344 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.170 -6.610 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.798 -7.724 4.962 1.00 0.00 H new ATOM 309 N LYS A 90 11.427 -4.807 2.503 1.00 0.00 N ATOM 310 CA LYS A 90 10.570 -3.623 2.516 1.00 0.00 C ATOM 311 C LYS A 90 9.406 -3.812 3.485 1.00 0.00 C ATOM 312 O LYS A 90 9.026 -2.888 4.203 1.00 0.00 O ATOM 313 CB LYS A 90 10.032 -3.365 1.102 1.00 0.00 C ATOM 314 CG LYS A 90 11.169 -2.846 0.193 1.00 0.00 C ATOM 315 CD LYS A 90 11.297 -1.312 0.305 1.00 0.00 C ATOM 316 CE LYS A 90 10.304 -0.625 -0.643 1.00 0.00 C ATOM 317 NZ LYS A 90 10.408 0.854 -0.488 1.00 0.00 N ATOM 0 H LYS A 90 11.470 -5.290 1.606 1.00 0.00 H new ATOM 0 HA LYS A 90 11.159 -2.767 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.615 -4.284 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.223 -2.636 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.111 -3.316 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.971 -3.125 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.107 -0.998 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.314 -1.006 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.514 -0.909 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.288 -0.954 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.735 1.319 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.187 1.117 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.375 1.160 -0.719 1.00 0.00 H new ATOM 331 N MET A 91 8.846 -5.015 3.502 1.00 0.00 N ATOM 332 CA MET A 91 7.728 -5.312 4.390 1.00 0.00 C ATOM 333 C MET A 91 8.154 -5.198 5.851 1.00 0.00 C ATOM 334 O MET A 91 7.411 -4.680 6.685 1.00 0.00 O ATOM 335 CB MET A 91 7.214 -6.727 4.117 1.00 0.00 C ATOM 336 CG MET A 91 6.532 -6.764 2.749 1.00 0.00 C ATOM 337 SD MET A 91 6.128 -8.477 2.324 1.00 0.00 S ATOM 338 CE MET A 91 4.852 -8.736 3.582 1.00 0.00 C ATOM 0 H MET A 91 9.144 -5.795 2.917 1.00 0.00 H new ATOM 0 HA MET A 91 6.934 -4.589 4.200 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.040 -7.437 4.143 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.511 -7.027 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.626 -6.159 2.766 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.188 -6.335 1.992 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.201 -9.555 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.324 -8.983 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.262 -7.826 3.695 1.00 0.00 H new ATOM 348 N SER A 92 9.353 -5.682 6.153 1.00 0.00 N ATOM 349 CA SER A 92 9.863 -5.623 7.517 1.00 0.00 C ATOM 350 C SER A 92 10.060 -4.173 7.953 1.00 0.00 C ATOM 351 O SER A 92 9.813 -3.823 9.107 1.00 0.00 O ATOM 352 CB SER A 92 11.193 -6.369 7.611 1.00 0.00 C ATOM 353 OG SER A 92 12.160 -5.712 6.802 1.00 0.00 O ATOM 0 H SER A 92 9.984 -6.115 5.479 1.00 0.00 H new ATOM 0 HA SER A 92 9.135 -6.095 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.531 -6.403 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.068 -7.401 7.283 1.00 0.00 H new ATOM 0 HG SER A 92 11.731 -5.375 5.988 1.00 0.00 H new ATOM 359 N GLU A 93 10.508 -3.336 7.022 1.00 0.00 N ATOM 360 CA GLU A 93 10.737 -1.926 7.323 1.00 0.00 C ATOM 361 C GLU A 93 9.429 -1.233 7.695 1.00 0.00 C ATOM 362 O GLU A 93 9.394 -0.397 8.598 1.00 0.00 O ATOM 363 CB GLU A 93 11.355 -1.231 6.108 1.00 0.00 C ATOM 364 CG GLU A 93 12.796 -1.715 5.918 1.00 0.00 C ATOM 365 CD GLU A 93 13.347 -1.205 4.591 1.00 0.00 C ATOM 366 OE1 GLU A 93 12.564 -0.712 3.797 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.545 -1.319 4.388 1.00 0.00 O ATOM 0 H GLU A 93 10.718 -3.606 6.061 1.00 0.00 H new ATOM 0 HA GLU A 93 11.420 -1.862 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.768 -1.446 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.339 -0.150 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.419 -1.361 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.828 -2.804 5.940 1.00 0.00 H new ATOM 374 N GLN A 94 8.356 -1.584 6.994 1.00 0.00 N ATOM 375 CA GLN A 94 7.051 -0.986 7.264 1.00 0.00 C ATOM 376 C GLN A 94 6.549 -1.382 8.650 1.00 0.00 C ATOM 377 O GLN A 94 5.945 -0.575 9.357 1.00 0.00 O ATOM 378 CB GLN A 94 6.045 -1.440 6.205 1.00 0.00 C ATOM 379 CG GLN A 94 6.405 -0.813 4.858 1.00 0.00 C ATOM 380 CD GLN A 94 5.402 -1.246 3.795 1.00 0.00 C ATOM 381 OE1 GLN A 94 4.194 -1.205 4.026 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.833 -1.665 2.636 1.00 0.00 N ATOM 0 H GLN A 94 8.362 -2.273 6.242 1.00 0.00 H new ATOM 0 HA GLN A 94 7.156 0.098 7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.050 -2.527 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.037 -1.147 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.410 0.274 4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.411 -1.114 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.835 -1.698 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.168 -1.959 1.920 1.00 0.00 H new ATOM 391 N GLU A 95 6.805 -2.632 9.030 1.00 0.00 N ATOM 392 CA GLU A 95 6.377 -3.142 10.334 1.00 0.00 C ATOM 393 C GLU A 95 7.481 -2.962 11.371 1.00 0.00 C ATOM 394 O GLU A 95 7.334 -3.370 12.523 1.00 0.00 O ATOM 395 CB GLU A 95 6.017 -4.625 10.219 1.00 0.00 C ATOM 396 CG GLU A 95 4.874 -4.797 9.217 1.00 0.00 C ATOM 397 CD GLU A 95 3.604 -4.150 9.758 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.538 -3.933 10.958 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.715 -3.880 8.968 1.00 0.00 O ATOM 0 H GLU A 95 7.306 -3.310 8.456 1.00 0.00 H new ATOM 0 HA GLU A 95 5.501 -2.578 10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.887 -5.197 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.722 -5.015 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.145 -4.344 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.701 -5.857 9.029 1.00 0.00 H new ATOM 406 N ALA A 96 8.587 -2.356 10.950 1.00 0.00 N ATOM 407 CA ALA A 96 9.720 -2.129 11.841 1.00 0.00 C ATOM 408 C ALA A 96 10.446 -3.441 12.125 1.00 0.00 C ATOM 409 O ALA A 96 11.674 -3.478 12.204 1.00 0.00 O ATOM 410 CB ALA A 96 9.239 -1.496 13.155 1.00 0.00 C ATOM 0 H ALA A 96 8.723 -2.014 9.999 1.00 0.00 H new ATOM 0 HA ALA A 96 10.415 -1.446 11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.092 -1.331 13.813 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.754 -0.543 12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.529 -2.164 13.642 1.00 0.00 H new ATOM 416 N ARG A 97 9.677 -4.515 12.270 1.00 0.00 N ATOM 417 CA ARG A 97 10.255 -5.824 12.538 1.00 0.00 C ATOM 418 C ARG A 97 9.184 -6.908 12.428 1.00 0.00 C ATOM 419 O ARG A 97 9.230 -7.750 11.531 1.00 0.00 O ATOM 420 CB ARG A 97 10.891 -5.839 13.942 1.00 0.00 C ATOM 421 CG ARG A 97 12.068 -6.821 13.981 1.00 0.00 C ATOM 422 CD ARG A 97 11.588 -8.214 13.571 1.00 0.00 C ATOM 423 NE ARG A 97 12.575 -9.219 13.948 1.00 0.00 N ATOM 424 CZ ARG A 97 12.459 -10.479 13.545 1.00 0.00 C ATOM 425 NH1 ARG A 97 11.451 -10.836 12.798 1.00 0.00 N ATOM 426 NH2 ARG A 97 13.355 -11.361 13.897 1.00 0.00 N ATOM 0 H ARG A 97 8.659 -4.504 12.207 1.00 0.00 H new ATOM 0 HA ARG A 97 11.029 -6.027 11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.234 -4.838 14.204 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.145 -6.125 14.684 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.857 -6.485 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.495 -6.853 14.983 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.634 -8.433 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.419 -8.246 12.495 1.00 0.00 H new ATOM 0 HE ARG A 97 13.368 -8.950 14.531 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.751 -10.147 12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.363 -11.804 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.143 -11.082 14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.267 -12.329 13.588 1.00 0.00 H new ATOM 440 N GLU A 98 8.220 -6.879 13.348 1.00 0.00 N ATOM 441 CA GLU A 98 7.140 -7.863 13.347 1.00 0.00 C ATOM 442 C GLU A 98 5.871 -7.269 13.955 1.00 0.00 C ATOM 443 O GLU A 98 4.798 -7.330 13.355 1.00 0.00 O ATOM 444 CB GLU A 98 7.566 -9.095 14.151 1.00 0.00 C ATOM 445 CG GLU A 98 6.529 -10.212 13.991 1.00 0.00 C ATOM 446 CD GLU A 98 6.512 -10.712 12.550 1.00 0.00 C ATOM 447 OE1 GLU A 98 7.479 -10.468 11.846 1.00 0.00 O ATOM 448 OE2 GLU A 98 5.532 -11.333 12.171 1.00 0.00 O ATOM 0 H GLU A 98 8.165 -6.190 14.098 1.00 0.00 H new ATOM 0 HA GLU A 98 6.932 -8.151 12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.541 -9.442 13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.671 -8.833 15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.763 -11.035 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.541 -9.844 14.268 1.00 0.00 H new ATOM 455 N VAL A 99 6.002 -6.700 15.151 1.00 0.00 N ATOM 456 CA VAL A 99 4.859 -6.101 15.839 1.00 0.00 C ATOM 457 C VAL A 99 4.628 -4.680 15.347 1.00 0.00 C ATOM 458 O VAL A 99 5.571 -3.979 14.976 1.00 0.00 O ATOM 459 CB VAL A 99 5.107 -6.067 17.352 1.00 0.00 C ATOM 460 CG1 VAL A 99 3.772 -6.003 18.101 1.00 0.00 C ATOM 461 CG2 VAL A 99 5.871 -7.328 17.770 1.00 0.00 C ATOM 0 H VAL A 99 6.883 -6.641 15.662 1.00 0.00 H new ATOM 0 HA VAL A 99 3.980 -6.708 15.625 1.00 0.00 H new ATOM 0 HB VAL A 99 5.695 -5.183 17.600 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.958 -5.979 19.175 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.232 -5.103 17.806 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.175 -6.881 17.856 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.049 -7.306 18.845 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.283 -8.210 17.517 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.826 -7.366 17.245 1.00 0.00 H new ATOM 471 N ASN A 100 3.375 -4.255 15.358 1.00 0.00 N ATOM 472 CA ASN A 100 3.045 -2.909 14.922 1.00 0.00 C ATOM 473 C ASN A 100 3.427 -1.895 15.998 1.00 0.00 C ATOM 474 O ASN A 100 2.988 -1.993 17.145 1.00 0.00 O ATOM 475 CB ASN A 100 1.546 -2.814 14.633 1.00 0.00 C ATOM 476 CG ASN A 100 1.218 -1.468 14.003 1.00 0.00 C ATOM 477 OD1 ASN A 100 2.004 -0.526 14.102 1.00 0.00 O ATOM 478 ND2 ASN A 100 0.096 -1.321 13.353 1.00 0.00 N ATOM 0 H ASN A 100 2.578 -4.815 15.660 1.00 0.00 H new ATOM 0 HA ASN A 100 3.605 -2.686 14.014 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.245 -3.620 13.964 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.981 -2.939 15.557 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.132 -0.424 12.925 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.553 -2.104 13.273 1.00 0.00 H new ATOM 485 N SER A 101 4.239 -0.920 15.612 1.00 0.00 N ATOM 486 CA SER A 101 4.679 0.122 16.538 1.00 0.00 C ATOM 487 C SER A 101 3.489 0.937 17.034 1.00 0.00 C ATOM 488 O SER A 101 3.542 1.550 18.101 1.00 0.00 O ATOM 489 CB SER A 101 5.671 1.053 15.842 1.00 0.00 C ATOM 490 OG SER A 101 5.011 1.734 14.783 1.00 0.00 O ATOM 0 H SER A 101 4.608 -0.826 14.666 1.00 0.00 H new ATOM 0 HA SER A 101 5.161 -0.358 17.390 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.076 1.771 16.555 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.513 0.481 15.453 1.00 0.00 H new ATOM 0 HG SER A 101 5.644 2.334 14.335 1.00 0.00 H new ATOM 496 N GLN A 102 2.417 0.934 16.254 1.00 0.00 N ATOM 497 CA GLN A 102 1.216 1.672 16.621 1.00 0.00 C ATOM 498 C GLN A 102 0.629 1.116 17.914 1.00 0.00 C ATOM 499 O GLN A 102 0.150 1.867 18.761 1.00 0.00 O ATOM 500 CB GLN A 102 0.176 1.571 15.498 1.00 0.00 C ATOM 501 CG GLN A 102 0.644 2.369 14.274 1.00 0.00 C ATOM 502 CD GLN A 102 0.692 3.859 14.599 1.00 0.00 C ATOM 503 OE1 GLN A 102 -0.252 4.401 15.173 1.00 0.00 O ATOM 504 NE2 GLN A 102 1.740 4.560 14.260 1.00 0.00 N ATOM 0 H GLN A 102 2.354 0.432 15.368 1.00 0.00 H new ATOM 0 HA GLN A 102 1.482 2.718 16.773 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.024 0.527 15.225 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -0.784 1.952 15.845 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.631 2.026 13.963 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.032 2.194 13.437 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.522 4.110 13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.777 5.557 14.471 1.00 0.00 H new ATOM 513 N GLU A 103 0.668 -0.204 18.059 1.00 0.00 N ATOM 514 CA GLU A 103 0.135 -0.845 19.253 1.00 0.00 C ATOM 515 C GLU A 103 0.904 -0.390 20.490 1.00 0.00 C ATOM 516 O GLU A 103 0.316 -0.136 21.542 1.00 0.00 O ATOM 517 CB GLU A 103 0.237 -2.368 19.118 1.00 0.00 C ATOM 518 CG GLU A 103 -0.487 -3.050 20.287 1.00 0.00 C ATOM 519 CD GLU A 103 0.381 -3.014 21.544 1.00 0.00 C ATOM 520 OE1 GLU A 103 1.594 -3.003 21.407 1.00 0.00 O ATOM 521 OE2 GLU A 103 -0.182 -2.997 22.625 1.00 0.00 O ATOM 0 H GLU A 103 1.060 -0.846 17.370 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.911 -0.560 19.362 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.201 -2.687 18.172 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.284 -2.670 19.102 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.436 -2.549 20.478 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.719 -4.083 20.027 1.00 0.00 H new ATOM 528 N GLU A 104 2.223 -0.285 20.355 1.00 0.00 N ATOM 529 CA GLU A 104 3.060 0.144 21.470 1.00 0.00 C ATOM 530 C GLU A 104 2.730 1.580 21.867 1.00 0.00 C ATOM 531 O GLU A 104 2.681 1.912 23.052 1.00 0.00 O ATOM 532 CB GLU A 104 4.536 0.050 21.079 1.00 0.00 C ATOM 533 CG GLU A 104 4.940 -1.419 20.956 1.00 0.00 C ATOM 534 CD GLU A 104 6.362 -1.526 20.417 1.00 0.00 C ATOM 535 OE1 GLU A 104 6.886 -0.515 19.979 1.00 0.00 O ATOM 536 OE2 GLU A 104 6.907 -2.617 20.449 1.00 0.00 O ATOM 0 H GLU A 104 2.731 -0.489 19.494 1.00 0.00 H new ATOM 0 HA GLU A 104 2.865 -0.511 22.319 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.706 0.565 20.133 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.154 0.546 21.828 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.874 -1.905 21.929 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.250 -1.940 20.292 1.00 0.00 H new ATOM 543 N GLU A 105 2.506 2.427 20.869 1.00 0.00 N ATOM 544 CA GLU A 105 2.180 3.825 21.127 1.00 0.00 C ATOM 545 C GLU A 105 0.852 3.940 21.870 1.00 0.00 C ATOM 546 O GLU A 105 0.703 4.765 22.771 1.00 0.00 O ATOM 547 CB GLU A 105 2.101 4.595 19.809 1.00 0.00 C ATOM 548 CG GLU A 105 3.505 4.735 19.217 1.00 0.00 C ATOM 549 CD GLU A 105 3.424 5.334 17.818 1.00 0.00 C ATOM 550 OE1 GLU A 105 2.333 5.376 17.274 1.00 0.00 O ATOM 551 OE2 GLU A 105 4.455 5.744 17.310 1.00 0.00 O ATOM 0 H GLU A 105 2.544 2.174 19.882 1.00 0.00 H new ATOM 0 HA GLU A 105 2.967 4.252 21.749 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.449 4.073 19.108 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.665 5.580 19.976 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.117 5.369 19.858 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.990 3.760 19.176 1.00 0.00 H new ATOM 558 N GLU A 106 -0.111 3.109 21.482 1.00 0.00 N ATOM 559 CA GLU A 106 -1.423 3.130 22.116 1.00 0.00 C ATOM 560 C GLU A 106 -1.305 2.785 23.597 1.00 0.00 C ATOM 561 O GLU A 106 -1.947 3.410 24.442 1.00 0.00 O ATOM 562 CB GLU A 106 -2.354 2.127 21.427 1.00 0.00 C ATOM 563 CG GLU A 106 -3.750 2.203 22.052 1.00 0.00 C ATOM 564 CD GLU A 106 -4.699 1.260 21.321 1.00 0.00 C ATOM 565 OE1 GLU A 106 -4.247 0.586 20.410 1.00 0.00 O ATOM 566 OE2 GLU A 106 -5.864 1.229 21.681 1.00 0.00 O ATOM 0 H GLU A 106 -0.008 2.419 20.738 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.838 4.133 22.019 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.411 2.343 20.360 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.955 1.118 21.527 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.700 1.936 23.108 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.126 3.225 21.999 1.00 0.00 H new ATOM 573 N GLU A 107 -0.485 1.787 23.906 1.00 0.00 N ATOM 574 CA GLU A 107 -0.302 1.372 25.292 1.00 0.00 C ATOM 575 C GLU A 107 0.289 2.510 26.119 1.00 0.00 C ATOM 576 O GLU A 107 -0.131 2.746 27.250 1.00 0.00 O ATOM 577 CB GLU A 107 0.635 0.162 25.354 1.00 0.00 C ATOM 578 CG GLU A 107 -0.083 -1.075 24.814 1.00 0.00 C ATOM 579 CD GLU A 107 -1.181 -1.508 25.780 1.00 0.00 C ATOM 580 OE1 GLU A 107 -0.885 -2.282 26.676 1.00 0.00 O ATOM 581 OE2 GLU A 107 -2.303 -1.059 25.610 1.00 0.00 O ATOM 0 H GLU A 107 0.058 1.256 23.225 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.276 1.104 25.702 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.534 0.356 24.770 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.954 -0.011 26.382 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.513 -0.857 23.836 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.630 -1.887 24.675 1.00 0.00 H new ATOM 588 N GLU A 108 1.258 3.213 25.543 1.00 0.00 N ATOM 589 CA GLU A 108 1.894 4.328 26.239 1.00 0.00 C ATOM 590 C GLU A 108 0.882 5.439 26.501 1.00 0.00 C ATOM 591 O GLU A 108 0.853 6.027 27.581 1.00 0.00 O ATOM 592 CB GLU A 108 3.057 4.869 25.404 1.00 0.00 C ATOM 593 CG GLU A 108 3.755 6.001 26.164 1.00 0.00 C ATOM 594 CD GLU A 108 4.975 6.475 25.383 1.00 0.00 C ATOM 595 OE1 GLU A 108 5.248 5.900 24.342 1.00 0.00 O ATOM 596 OE2 GLU A 108 5.616 7.409 25.835 1.00 0.00 O ATOM 0 H GLU A 108 1.618 3.034 24.606 1.00 0.00 H new ATOM 0 HA GLU A 108 2.275 3.970 27.195 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.767 4.070 25.190 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.690 5.234 24.445 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.064 6.830 26.314 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.057 5.655 27.152 1.00 0.00 H new ATOM 603 N LEU A 109 0.052 5.714 25.501 1.00 0.00 N ATOM 604 CA LEU A 109 -0.964 6.752 25.623 1.00 0.00 C ATOM 605 C LEU A 109 -1.962 6.402 26.724 1.00 0.00 C ATOM 606 O LEU A 109 -2.413 7.278 27.460 1.00 0.00 O ATOM 607 CB LEU A 109 -1.696 6.923 24.289 1.00 0.00 C ATOM 608 CG LEU A 109 -0.758 7.557 23.247 1.00 0.00 C ATOM 609 CD1 LEU A 109 -1.418 7.470 21.868 1.00 0.00 C ATOM 610 CD2 LEU A 109 -0.485 9.037 23.593 1.00 0.00 C ATOM 0 H LEU A 109 0.063 5.235 24.601 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.473 7.689 25.887 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.047 5.955 23.932 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.576 7.551 24.427 1.00 0.00 H new ATOM 0 HG LEU A 109 0.190 7.020 23.246 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.761 7.917 21.121 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.596 6.425 21.615 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.367 8.006 21.884 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.180 9.469 22.845 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.426 9.588 23.603 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.017 9.101 24.575 1.00 0.00 H new ATOM 622 N LEU A 110 -2.307 5.120 26.830 1.00 0.00 N ATOM 623 CA LEU A 110 -3.257 4.681 27.847 1.00 0.00 C ATOM 624 C LEU A 110 -2.718 4.980 29.246 1.00 0.00 C ATOM 625 O LEU A 110 -3.439 5.498 30.100 1.00 0.00 O ATOM 626 CB LEU A 110 -3.509 3.174 27.701 1.00 0.00 C ATOM 627 CG LEU A 110 -4.476 2.678 28.789 1.00 0.00 C ATOM 628 CD1 LEU A 110 -5.823 3.410 28.676 1.00 0.00 C ATOM 629 CD2 LEU A 110 -4.693 1.174 28.607 1.00 0.00 C ATOM 0 H LEU A 110 -1.948 4.376 26.232 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.193 5.222 27.710 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.923 2.963 26.715 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.565 2.634 27.772 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.051 2.879 29.772 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.499 3.050 29.452 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.666 4.482 28.800 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.260 3.218 27.696 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.377 0.810 29.373 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.118 0.984 27.621 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.739 0.655 28.697 1.00 0.00 H new ATOM 641 N ARG A 111 -1.449 4.660 29.472 1.00 0.00 N ATOM 642 CA ARG A 111 -0.835 4.908 30.775 1.00 0.00 C ATOM 643 C ARG A 111 -0.728 6.409 31.045 1.00 0.00 C ATOM 644 O ARG A 111 -0.964 6.862 32.166 1.00 0.00 O ATOM 645 CB ARG A 111 0.562 4.251 30.835 1.00 0.00 C ATOM 646 CG ARG A 111 0.450 2.823 31.385 1.00 0.00 C ATOM 647 CD ARG A 111 -0.418 1.974 30.454 1.00 0.00 C ATOM 648 NE ARG A 111 -0.460 0.594 30.928 1.00 0.00 N ATOM 649 CZ ARG A 111 0.499 -0.274 30.619 1.00 0.00 C ATOM 650 NH1 ARG A 111 1.496 0.095 29.863 1.00 0.00 N ATOM 651 NH2 ARG A 111 0.441 -1.497 31.071 1.00 0.00 N ATOM 0 H ARG A 111 -0.831 4.234 28.782 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.467 4.467 31.546 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.006 4.232 29.840 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.224 4.842 31.468 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.442 2.380 31.476 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.016 2.842 32.385 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.427 2.383 30.412 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.018 2.007 29.441 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.241 0.289 31.508 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.541 1.050 29.508 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.231 -0.572 29.627 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.339 -1.786 31.661 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.176 -2.163 30.835 1.00 0.00 H new ATOM 665 N LYS A 112 -0.368 7.171 30.020 1.00 0.00 N ATOM 666 CA LYS A 112 -0.229 8.612 30.173 1.00 0.00 C ATOM 667 C LYS A 112 -1.566 9.240 30.558 1.00 0.00 C ATOM 668 O LYS A 112 -1.625 10.117 31.419 1.00 0.00 O ATOM 669 CB LYS A 112 0.283 9.231 28.870 1.00 0.00 C ATOM 670 CG LYS A 112 0.482 10.737 29.058 1.00 0.00 C ATOM 671 CD LYS A 112 1.055 11.340 27.777 1.00 0.00 C ATOM 672 CE LYS A 112 1.196 12.853 27.949 1.00 0.00 C ATOM 673 NZ LYS A 112 2.151 13.137 29.058 1.00 0.00 N ATOM 0 H LYS A 112 -0.169 6.819 29.083 1.00 0.00 H new ATOM 0 HA LYS A 112 0.490 8.809 30.968 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.224 8.764 28.579 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.427 9.046 28.064 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.468 11.212 29.303 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.156 10.924 29.894 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.025 10.896 27.555 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.402 11.118 26.933 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.552 13.304 27.023 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.225 13.298 28.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.510 14.109 28.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.664 13.032 29.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.946 12.468 29.011 1.00 0.00 H new ATOM 687 N ALA A 113 -2.638 8.789 29.914 1.00 0.00 N ATOM 688 CA ALA A 113 -3.965 9.325 30.199 1.00 0.00 C ATOM 689 C ALA A 113 -4.352 9.069 31.654 1.00 0.00 C ATOM 690 O ALA A 113 -4.910 9.942 32.318 1.00 0.00 O ATOM 691 CB ALA A 113 -4.997 8.675 29.275 1.00 0.00 C ATOM 0 H ALA A 113 -2.616 8.062 29.199 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.944 10.401 30.027 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.986 9.079 29.492 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.739 8.885 28.237 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -5.002 7.597 29.436 1.00 0.00 H new ATOM 697 N ILE A 114 -4.050 7.870 32.146 1.00 0.00 N ATOM 698 CA ILE A 114 -4.373 7.522 33.527 1.00 0.00 C ATOM 699 C ILE A 114 -3.610 8.418 34.499 1.00 0.00 C ATOM 700 O ILE A 114 -4.175 8.929 35.466 1.00 0.00 O ATOM 701 CB ILE A 114 -4.021 6.053 33.790 1.00 0.00 C ATOM 702 CG1 ILE A 114 -4.957 5.155 32.977 1.00 0.00 C ATOM 703 CG2 ILE A 114 -4.191 5.736 35.279 1.00 0.00 C ATOM 704 CD1 ILE A 114 -4.437 3.718 33.009 1.00 0.00 C ATOM 0 H ILE A 114 -3.588 7.131 31.616 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.442 7.671 33.681 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.986 5.874 33.497 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -5.966 5.197 33.387 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.016 5.509 31.948 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.939 4.691 35.460 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.530 6.375 35.865 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.225 5.916 35.574 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.103 3.077 32.430 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.436 3.684 32.579 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.401 3.367 34.040 1.00 0.00 H new ATOM 716 N ALA A 115 -2.319 8.602 34.239 1.00 0.00 N ATOM 717 CA ALA A 115 -1.489 9.433 35.102 1.00 0.00 C ATOM 718 C ALA A 115 -2.003 10.868 35.121 1.00 0.00 C ATOM 719 O ALA A 115 -2.034 11.513 36.168 1.00 0.00 O ATOM 720 CB ALA A 115 -0.040 9.413 34.609 1.00 0.00 C ATOM 0 H ALA A 115 -1.829 8.190 33.445 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.534 9.031 36.114 1.00 0.00 H new ATOM 0 HB1 ALA A 115 0.574 10.036 35.259 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.336 8.390 34.626 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.003 9.798 33.590 1.00 0.00 H new ATOM 726 N GLU A 116 -2.408 11.364 33.956 1.00 0.00 N ATOM 727 CA GLU A 116 -2.918 12.725 33.858 1.00 0.00 C ATOM 728 C GLU A 116 -4.201 12.875 34.670 1.00 0.00 C ATOM 729 O GLU A 116 -4.399 13.878 35.354 1.00 0.00 O ATOM 730 CB GLU A 116 -3.187 13.077 32.392 1.00 0.00 C ATOM 731 CG GLU A 116 -3.662 14.529 32.288 1.00 0.00 C ATOM 732 CD GLU A 116 -3.847 14.910 30.825 1.00 0.00 C ATOM 733 OE1 GLU A 116 -3.622 14.061 29.979 1.00 0.00 O ATOM 734 OE2 GLU A 116 -4.212 16.046 30.571 1.00 0.00 O ATOM 0 H GLU A 116 -2.393 10.849 33.076 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.169 13.407 34.260 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.281 12.938 31.802 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.942 12.407 31.980 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.601 14.653 32.827 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.936 15.193 32.757 1.00 0.00 H new ATOM 741 N SER A 117 -5.072 11.874 34.588 1.00 0.00 N ATOM 742 CA SER A 117 -6.331 11.916 35.321 1.00 0.00 C ATOM 743 C SER A 117 -6.075 11.958 36.824 1.00 0.00 C ATOM 744 O SER A 117 -6.767 12.658 37.563 1.00 0.00 O ATOM 745 CB SER A 117 -7.172 10.687 34.982 1.00 0.00 C ATOM 746 OG SER A 117 -6.482 9.516 35.401 1.00 0.00 O ATOM 0 H SER A 117 -4.931 11.033 34.028 1.00 0.00 H new ATOM 0 HA SER A 117 -6.869 12.818 35.029 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.142 10.748 35.476 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.362 10.647 33.910 1.00 0.00 H new ATOM 0 HG SER A 117 -5.516 9.676 35.368 1.00 0.00 H new ATOM 752 N LEU A 118 -5.074 11.206 37.269 1.00 0.00 N ATOM 753 CA LEU A 118 -4.736 11.172 38.685 1.00 0.00 C ATOM 754 C LEU A 118 -4.179 12.521 39.135 1.00 0.00 C ATOM 755 O LEU A 118 -4.454 12.977 40.245 1.00 0.00 O ATOM 756 CB LEU A 118 -3.701 10.073 38.942 1.00 0.00 C ATOM 757 CG LEU A 118 -4.342 8.692 38.721 1.00 0.00 C ATOM 758 CD1 LEU A 118 -3.247 7.620 38.759 1.00 0.00 C ATOM 759 CD2 LEU A 118 -5.389 8.402 39.819 1.00 0.00 C ATOM 0 H LEU A 118 -4.489 10.618 36.676 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.640 10.961 39.255 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.849 10.200 38.274 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.321 10.149 39.961 1.00 0.00 H new ATOM 0 HG LEU A 118 -4.841 8.680 37.752 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.694 6.638 38.603 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.518 7.816 37.973 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.749 7.642 39.729 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.833 7.421 39.648 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.905 8.416 40.796 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.168 9.164 39.789 1.00 0.00 H new ATOM 771 N ASN A 119 -3.398 13.155 38.263 1.00 0.00 N ATOM 772 CA ASN A 119 -2.811 14.451 38.582 1.00 0.00 C ATOM 773 C ASN A 119 -3.850 15.560 38.455 1.00 0.00 C ATOM 774 O ASN A 119 -3.660 16.664 38.967 1.00 0.00 O ATOM 775 CB ASN A 119 -1.639 14.738 37.639 1.00 0.00 C ATOM 776 CG ASN A 119 -0.469 13.818 37.971 1.00 0.00 C ATOM 777 OD1 ASN A 119 -0.398 13.278 39.074 1.00 0.00 O ATOM 778 ND2 ASN A 119 0.457 13.607 37.077 1.00 0.00 N ATOM 0 H ASN A 119 -3.160 12.795 37.339 1.00 0.00 H new ATOM 0 HA ASN A 119 -2.454 14.422 39.611 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -1.948 14.589 36.604 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.332 15.780 37.733 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.243 12.993 37.292 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.396 14.056 36.163 1.00 0.00 H new ATOM 785 N SER A 120 -4.950 15.262 37.771 1.00 0.00 N ATOM 786 CA SER A 120 -6.012 16.245 37.585 1.00 0.00 C ATOM 787 C SER A 120 -6.768 16.474 38.889 1.00 0.00 C ATOM 788 O SER A 120 -7.082 15.527 39.611 1.00 0.00 O ATOM 789 CB SER A 120 -6.985 15.768 36.504 1.00 0.00 C ATOM 790 OG SER A 120 -8.065 16.686 36.405 1.00 0.00 O ATOM 0 H SER A 120 -5.129 14.355 37.339 1.00 0.00 H new ATOM 0 HA SER A 120 -5.557 17.185 37.274 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.471 15.689 35.546 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.359 14.774 36.749 1.00 0.00 H new ATOM 0 HG SER A 120 -8.689 16.384 35.712 1.00 0.00 H new ATOM 796 N CYS A 121 -7.063 17.737 39.183 1.00 0.00 N ATOM 797 CA CYS A 121 -7.791 18.073 40.402 1.00 0.00 C ATOM 798 C CYS A 121 -9.275 17.755 40.234 1.00 0.00 C ATOM 799 O CYS A 121 -9.765 17.615 39.114 1.00 0.00 O ATOM 800 CB CYS A 121 -7.606 19.557 40.729 1.00 0.00 C ATOM 801 SG CYS A 121 -8.452 20.563 39.485 1.00 0.00 S ATOM 0 H CYS A 121 -6.812 18.536 38.601 1.00 0.00 H new ATOM 0 HA CYS A 121 -7.395 17.477 41.224 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -8.005 19.774 41.720 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -6.545 19.805 40.752 1.00 0.00 H new ATOM 0 HG CYS A 121 -8.296 21.823 39.766 1.00 0.00 H new ATOM 807 N ARG A 122 -9.984 17.636 41.352 1.00 0.00 N ATOM 808 CA ARG A 122 -11.409 17.327 41.312 1.00 0.00 C ATOM 809 C ARG A 122 -12.202 18.521 40.777 1.00 0.00 C ATOM 810 O ARG A 122 -11.804 19.669 40.965 1.00 0.00 O ATOM 811 CB ARG A 122 -11.910 16.960 42.715 1.00 0.00 C ATOM 812 CG ARG A 122 -11.480 15.535 43.096 1.00 0.00 C ATOM 813 CD ARG A 122 -9.953 15.419 43.137 1.00 0.00 C ATOM 814 NE ARG A 122 -9.561 14.131 43.700 1.00 0.00 N ATOM 815 CZ ARG A 122 -9.551 13.023 42.963 1.00 0.00 C ATOM 816 NH1 ARG A 122 -9.900 13.070 41.706 1.00 0.00 N ATOM 817 NH2 ARG A 122 -9.193 11.889 43.501 1.00 0.00 N ATOM 0 H ARG A 122 -9.599 17.748 42.290 1.00 0.00 H new ATOM 0 HA ARG A 122 -11.558 16.478 40.645 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.517 17.670 43.443 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.997 17.038 42.749 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.895 15.273 44.069 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -11.884 14.824 42.375 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.546 15.524 42.131 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.535 16.228 43.736 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.288 14.079 44.681 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.181 13.957 41.287 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -9.892 12.220 41.142 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -8.922 11.854 44.484 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.184 11.038 42.939 1.00 0.00 H new ATOM 831 N PRO A 123 -13.314 18.282 40.119 1.00 0.00 N ATOM 832 CA PRO A 123 -14.160 19.381 39.561 1.00 0.00 C ATOM 833 C PRO A 123 -14.811 20.216 40.664 1.00 0.00 C ATOM 834 O PRO A 123 -15.154 19.702 41.727 1.00 0.00 O ATOM 835 CB PRO A 123 -15.214 18.635 38.719 1.00 0.00 C ATOM 836 CG PRO A 123 -15.295 17.271 39.324 1.00 0.00 C ATOM 837 CD PRO A 123 -13.890 16.953 39.832 1.00 0.00 C ATOM 0 HA PRO A 123 -13.582 20.097 38.977 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -16.179 19.141 38.755 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -14.919 18.585 37.671 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.019 17.248 40.138 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -15.620 16.536 38.588 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -13.919 16.328 40.724 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -13.306 16.416 39.085 1.00 0.00 H new ATOM 845 N SER A 124 -14.972 21.509 40.395 1.00 0.00 N ATOM 846 CA SER A 124 -15.577 22.413 41.365 1.00 0.00 C ATOM 847 C SER A 124 -17.039 22.051 41.593 1.00 0.00 C ATOM 848 O SER A 124 -17.745 21.663 40.663 1.00 0.00 O ATOM 849 CB SER A 124 -15.478 23.856 40.865 1.00 0.00 C ATOM 850 OG SER A 124 -14.110 24.236 40.793 1.00 0.00 O ATOM 0 H SER A 124 -14.694 21.951 39.519 1.00 0.00 H new ATOM 0 HA SER A 124 -15.040 22.318 42.309 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.944 23.946 39.884 1.00 0.00 H new ATOM 0 HB3 SER A 124 -16.018 24.524 41.537 1.00 0.00 H new ATOM 0 HG SER A 124 -14.043 25.159 40.471 1.00 0.00 H new ATOM 856 N ASP A 125 -17.492 22.179 42.837 1.00 0.00 N ATOM 857 CA ASP A 125 -18.877 21.861 43.169 1.00 0.00 C ATOM 858 C ASP A 125 -19.785 23.047 42.864 1.00 0.00 C ATOM 859 O ASP A 125 -19.574 24.150 43.368 1.00 0.00 O ATOM 860 CB ASP A 125 -18.984 21.501 44.652 1.00 0.00 C ATOM 861 CG ASP A 125 -18.055 20.335 44.973 1.00 0.00 C ATOM 862 OD1 ASP A 125 -18.492 19.203 44.848 1.00 0.00 O ATOM 863 OD2 ASP A 125 -16.920 20.590 45.340 1.00 0.00 O ATOM 0 H ASP A 125 -16.927 22.497 43.624 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.194 21.012 42.564 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.723 22.364 45.264 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -20.012 21.236 44.897 1.00 0.00 H new ATOM 868 N ALA A 126 -20.796 22.812 42.036 1.00 0.00 N ATOM 869 CA ALA A 126 -21.732 23.867 41.672 1.00 0.00 C ATOM 870 C ALA A 126 -22.476 24.371 42.905 1.00 0.00 C ATOM 871 O ALA A 126 -22.760 25.563 43.028 1.00 0.00 O ATOM 872 CB ALA A 126 -22.736 23.345 40.644 1.00 0.00 C ATOM 0 H ALA A 126 -20.987 21.907 41.607 1.00 0.00 H new ATOM 0 HA ALA A 126 -21.168 24.693 41.239 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -23.432 24.141 40.378 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -22.204 23.014 39.752 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -23.289 22.507 41.068 1.00 0.00 H new ATOM 878 N SER A 127 -22.789 23.453 43.815 1.00 0.00 N ATOM 879 CA SER A 127 -23.503 23.812 45.035 1.00 0.00 C ATOM 880 C SER A 127 -22.555 24.455 46.044 1.00 0.00 C ATOM 881 O SER A 127 -22.993 25.133 46.973 1.00 0.00 O ATOM 882 CB SER A 127 -24.139 22.568 45.653 1.00 0.00 C ATOM 883 OG SER A 127 -24.867 22.938 46.816 1.00 0.00 O ATOM 0 H SER A 127 -22.561 22.462 43.732 1.00 0.00 H new ATOM 0 HA SER A 127 -24.282 24.529 44.778 1.00 0.00 H new ATOM 0 HB2 SER A 127 -24.802 22.089 44.933 1.00 0.00 H new ATOM 0 HB3 SER A 127 -23.368 21.841 45.909 1.00 0.00 H new ATOM 0 HG SER A 127 -25.277 22.141 47.213 1.00 0.00 H new ATOM 889 N ALA A 128 -21.258 24.236 45.852 1.00 0.00 N ATOM 890 CA ALA A 128 -20.248 24.795 46.747 1.00 0.00 C ATOM 891 C ALA A 128 -20.165 23.980 48.038 1.00 0.00 C ATOM 892 O ALA A 128 -19.596 24.431 49.032 1.00 0.00 O ATOM 893 CB ALA A 128 -20.580 26.264 47.068 1.00 0.00 C ATOM 0 H ALA A 128 -20.881 23.677 45.087 1.00 0.00 H new ATOM 0 HA ALA A 128 -19.280 24.752 46.248 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -19.821 26.671 47.736 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -20.599 26.843 46.145 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -21.556 26.319 47.551 1.00 0.00 H new ATOM 899 N THR A 129 -20.738 22.778 48.012 1.00 0.00 N ATOM 900 CA THR A 129 -20.726 21.905 49.185 1.00 0.00 C ATOM 901 C THR A 129 -19.448 21.073 49.218 1.00 0.00 C ATOM 902 O THR A 129 -19.038 20.505 48.205 1.00 0.00 O ATOM 903 CB THR A 129 -21.941 20.975 49.154 1.00 0.00 C ATOM 904 OG1 THR A 129 -22.006 20.244 50.372 1.00 0.00 O ATOM 905 CG2 THR A 129 -21.818 20.002 47.980 1.00 0.00 C ATOM 0 H THR A 129 -21.213 22.388 47.198 1.00 0.00 H new ATOM 0 HA THR A 129 -20.766 22.526 50.080 1.00 0.00 H new ATOM 0 HB THR A 129 -22.847 21.568 49.034 1.00 0.00 H new ATOM 0 HG1 THR A 129 -22.784 19.649 50.355 1.00 0.00 H new ATOM 0 HG21 THR A 129 -22.685 19.342 47.962 1.00 0.00 H new ATOM 0 HG22 THR A 129 -21.769 20.563 47.046 1.00 0.00 H new ATOM 0 HG23 THR A 129 -20.912 19.407 48.094 1.00 0.00 H new ATOM 913 N ARG A 130 -18.823 21.007 50.389 1.00 0.00 N ATOM 914 CA ARG A 130 -17.591 20.242 50.546 1.00 0.00 C ATOM 915 C ARG A 130 -17.881 18.747 50.487 1.00 0.00 C ATOM 916 O ARG A 130 -18.905 18.283 50.990 1.00 0.00 O ATOM 917 CB ARG A 130 -16.935 20.587 51.884 1.00 0.00 C ATOM 918 CG ARG A 130 -16.457 22.041 51.858 1.00 0.00 C ATOM 919 CD ARG A 130 -15.595 22.319 53.090 1.00 0.00 C ATOM 920 NE ARG A 130 -16.390 22.162 54.305 1.00 0.00 N ATOM 921 CZ ARG A 130 -17.115 23.167 54.791 1.00 0.00 C ATOM 922 NH1 ARG A 130 -17.134 24.316 54.174 1.00 0.00 N ATOM 923 NH2 ARG A 130 -17.810 23.001 55.882 1.00 0.00 N ATOM 0 H ARG A 130 -19.146 21.471 51.238 1.00 0.00 H new ATOM 0 HA ARG A 130 -16.914 20.500 49.732 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -17.645 20.441 52.698 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -16.094 19.920 52.072 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -15.884 22.230 50.950 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -17.313 22.716 51.841 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -14.746 21.636 53.111 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -15.190 23.330 53.039 1.00 0.00 H new ATOM 0 HE ARG A 130 -16.390 21.265 54.791 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -16.593 24.445 53.319 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -17.690 25.086 54.547 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -17.798 22.101 56.363 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -18.366 23.771 56.255 1.00 0.00 H new ATOM 937 N SER A 131 -16.975 17.996 49.871 1.00 0.00 N ATOM 938 CA SER A 131 -17.146 16.553 49.754 1.00 0.00 C ATOM 939 C SER A 131 -18.555 16.218 49.276 1.00 0.00 C ATOM 940 O SER A 131 -18.856 16.508 48.130 1.00 0.00 O ATOM 941 CB SER A 131 -16.893 15.887 51.106 1.00 0.00 C ATOM 942 OG SER A 131 -15.522 16.033 51.451 1.00 0.00 O ATOM 943 OXT SER A 131 -19.313 15.676 50.063 1.00 0.00 O ATOM 0 H SER A 131 -16.121 18.359 49.448 1.00 0.00 H new ATOM 0 HA SER A 131 -16.428 16.178 49.024 1.00 0.00 H new ATOM 0 HB2 SER A 131 -17.523 16.340 51.871 1.00 0.00 H new ATOM 0 HB3 SER A 131 -17.158 14.831 51.060 1.00 0.00 H new ATOM 0 HG SER A 131 -15.356 15.609 52.319 1.00 0.00 H new TER 949 SER A 131