USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 118 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 8 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 1.1 K(o=1.1,f=-2.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 114:sc= 1.2 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -103:sc= 1.91 USER MOD Single : B 8 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.038) USER MOD Single : B 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0427) USER MOD Single : B 16 ASN : amide:sc= 0.194 K(o=0.19,f=-1.4) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 26:sc= 1.31 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 -4.272 19.368 1.064 1.00 0.00 C HETATM 2 O ACE A 0 -3.994 18.411 0.359 1.00 0.00 O HETATM 3 CH3 ACE A 0 -4.353 20.801 0.558 1.00 0.00 C HETATM 0 H1 ACE A 0 -5.358 21.189 0.724 1.00 0.00 H new HETATM 0 H2 ACE A 0 -3.632 21.418 1.095 1.00 0.00 H new HETATM 0 H3 ACE A 0 -4.127 20.824 -0.508 1.00 0.00 H new ATOM 4 N LYS A 1 -4.482 19.161 2.340 1.00 0.00 N ATOM 5 CA LYS A 1 -4.060 18.248 3.421 1.00 0.00 C ATOM 6 C LYS A 1 -4.045 16.778 2.985 1.00 0.00 C ATOM 7 O LYS A 1 -3.048 16.289 2.457 1.00 0.00 O ATOM 8 CB LYS A 1 -4.944 18.541 4.651 1.00 0.00 C ATOM 9 CG LYS A 1 -4.149 19.155 5.802 1.00 0.00 C ATOM 10 CD LYS A 1 -3.447 18.085 6.654 1.00 0.00 C ATOM 11 CE LYS A 1 -2.625 18.730 7.766 1.00 0.00 C ATOM 12 NZ LYS A 1 -2.181 17.692 8.718 1.00 0.00 N ATOM 0 H LYS A 1 -5.139 19.812 2.771 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.020 18.432 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.748 19.219 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.412 17.616 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.406 19.844 5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.818 19.739 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.189 17.414 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.799 17.478 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.762 19.243 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.221 19.482 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.621 18.132 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.012 17.221 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.597 16.990 8.219 1.00 0.00 H new ATOM 17 N SER A 2 -5.263 16.235 2.927 1.00 0.00 N ATOM 18 CA SER A 2 -5.589 14.841 2.551 1.00 0.00 C ATOM 19 C SER A 2 -4.918 14.371 1.244 1.00 0.00 C ATOM 20 O SER A 2 -4.169 13.400 1.247 1.00 0.00 O ATOM 21 CB SER A 2 -7.107 14.720 2.386 1.00 0.00 C ATOM 22 OG SER A 2 -7.772 15.468 3.420 1.00 0.00 O ATOM 0 H SER A 2 -6.098 16.777 3.151 1.00 0.00 H new ATOM 0 HA SER A 2 -5.206 14.205 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.406 15.092 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.405 13.673 2.434 1.00 0.00 H new ATOM 0 HG SER A 2 -8.742 15.389 3.309 1.00 0.00 H new ATOM 25 N GLU A 3 -5.015 15.222 0.216 1.00 0.00 N ATOM 26 CA GLU A 3 -4.492 14.945 -1.143 1.00 0.00 C ATOM 27 C GLU A 3 -2.963 14.786 -1.139 1.00 0.00 C ATOM 28 O GLU A 3 -2.432 13.758 -1.551 1.00 0.00 O ATOM 29 CB GLU A 3 -4.895 16.071 -2.118 1.00 0.00 C ATOM 30 CG GLU A 3 -6.400 16.160 -2.415 1.00 0.00 C ATOM 31 CD GLU A 3 -7.275 16.612 -1.240 1.00 0.00 C ATOM 32 OE1 GLU A 3 -6.806 17.457 -0.438 1.00 0.00 O ATOM 33 OE2 GLU A 3 -8.395 16.065 -1.129 1.00 0.00 O ATOM 0 H GLU A 3 -5.463 16.135 0.297 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.932 14.005 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.563 17.024 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.362 15.927 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.549 16.851 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.746 15.182 -2.749 1.00 0.00 H new ATOM 35 N GLU A 4 -2.299 15.769 -0.518 1.00 0.00 N ATOM 36 CA GLU A 4 -0.834 15.811 -0.349 1.00 0.00 C ATOM 37 C GLU A 4 -0.317 14.575 0.424 1.00 0.00 C ATOM 38 O GLU A 4 0.498 13.810 -0.099 1.00 0.00 O ATOM 39 CB GLU A 4 -0.413 17.080 0.395 1.00 0.00 C ATOM 40 CG GLU A 4 -0.736 18.355 -0.388 1.00 0.00 C ATOM 41 CD GLU A 4 -0.649 19.599 0.498 1.00 0.00 C ATOM 42 OE1 GLU A 4 -1.342 19.616 1.536 1.00 0.00 O ATOM 43 OE2 GLU A 4 0.029 20.562 0.064 1.00 0.00 O ATOM 0 H GLU A 4 -2.771 16.575 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.395 15.809 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.916 17.114 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.658 17.042 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.044 18.454 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.738 18.279 -0.811 1.00 0.00 H new ATOM 45 N GLU A 5 -0.942 14.327 1.571 1.00 0.00 N ATOM 46 CA GLU A 5 -0.620 13.214 2.488 1.00 0.00 C ATOM 47 C GLU A 5 -0.537 11.863 1.761 1.00 0.00 C ATOM 48 O GLU A 5 0.477 11.171 1.867 1.00 0.00 O ATOM 49 CB GLU A 5 -1.654 13.217 3.626 1.00 0.00 C ATOM 50 CG GLU A 5 -1.381 12.231 4.771 1.00 0.00 C ATOM 51 CD GLU A 5 -1.734 10.776 4.417 1.00 0.00 C ATOM 52 OE1 GLU A 5 -2.936 10.538 4.143 1.00 0.00 O ATOM 53 OE2 GLU A 5 -0.795 9.961 4.379 1.00 0.00 O ATOM 0 H GLU A 5 -1.711 14.906 1.907 1.00 0.00 H new ATOM 0 HA GLU A 5 0.375 13.362 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.708 14.223 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.634 12.994 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.327 12.286 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.954 12.534 5.647 1.00 0.00 H new ATOM 55 N LEU A 6 -1.550 11.568 0.948 1.00 0.00 N ATOM 56 CA LEU A 6 -1.603 10.353 0.120 1.00 0.00 C ATOM 57 C LEU A 6 -0.372 10.143 -0.786 1.00 0.00 C ATOM 58 O LEU A 6 0.356 9.170 -0.620 1.00 0.00 O ATOM 59 CB LEU A 6 -2.903 10.465 -0.694 1.00 0.00 C ATOM 60 CG LEU A 6 -3.223 9.172 -1.453 1.00 0.00 C ATOM 61 CD1 LEU A 6 -3.573 8.047 -0.476 1.00 0.00 C ATOM 62 CD2 LEU A 6 -4.416 9.409 -2.367 1.00 0.00 C ATOM 0 H LEU A 6 -2.368 12.168 0.841 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.590 9.471 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.729 10.706 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.816 11.289 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.347 8.884 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.797 7.138 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.728 7.866 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.443 8.335 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.647 8.492 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.279 9.705 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.178 10.200 -3.078 1.00 0.00 H new ATOM 64 N ALA A 7 -0.083 11.155 -1.607 1.00 0.00 N ATOM 65 CA ALA A 7 1.090 11.181 -2.499 1.00 0.00 C ATOM 66 C ALA A 7 2.422 10.896 -1.776 1.00 0.00 C ATOM 67 O ALA A 7 3.182 10.026 -2.180 1.00 0.00 O ATOM 68 CB ALA A 7 1.184 12.533 -3.215 1.00 0.00 C ATOM 0 H ALA A 7 -0.661 11.992 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 7 0.937 10.376 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.055 12.538 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.283 12.694 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.281 13.329 -2.477 1.00 0.00 H new ATOM 70 N ASN A 8 2.543 11.451 -0.569 1.00 0.00 N ATOM 71 CA ASN A 8 3.705 11.291 0.300 1.00 0.00 C ATOM 72 C ASN A 8 3.864 9.881 0.868 1.00 0.00 C ATOM 73 O ASN A 8 4.848 9.215 0.565 1.00 0.00 O ATOM 74 CB ASN A 8 3.603 12.327 1.433 1.00 0.00 C ATOM 75 CG ASN A 8 4.020 13.738 1.012 1.00 0.00 C ATOM 76 OD1 ASN A 8 4.896 14.359 1.580 1.00 0.00 O ATOM 77 ND2 ASN A 8 3.265 14.358 0.122 1.00 0.00 N ATOM 0 H ASN A 8 1.816 12.039 -0.161 1.00 0.00 H new ATOM 0 HA ASN A 8 4.598 11.455 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.576 12.354 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.229 12.005 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.422 15.345 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.526 13.849 -0.363 1.00 0.00 H new ATOM 81 N ALA A 9 2.824 9.376 1.542 1.00 0.00 N ATOM 82 CA ALA A 9 2.816 7.995 2.053 1.00 0.00 C ATOM 83 C ALA A 9 2.814 6.865 1.012 1.00 0.00 C ATOM 84 O ALA A 9 2.915 5.681 1.343 1.00 0.00 O ATOM 85 CB ALA A 9 1.663 7.838 3.049 1.00 0.00 C ATOM 0 H ALA A 9 1.975 9.902 1.748 1.00 0.00 H new ATOM 0 HA ALA A 9 3.784 7.866 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.650 6.818 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.799 8.535 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.718 8.050 2.548 1.00 0.00 H new ATOM 87 N PHE A 10 2.612 7.257 -0.239 1.00 0.00 N ATOM 88 CA PHE A 10 2.953 6.434 -1.389 1.00 0.00 C ATOM 89 C PHE A 10 4.489 6.406 -1.554 1.00 0.00 C ATOM 90 O PHE A 10 5.166 5.606 -0.906 1.00 0.00 O ATOM 91 CB PHE A 10 2.271 6.953 -2.664 1.00 0.00 C ATOM 92 CG PHE A 10 2.189 5.933 -3.813 1.00 0.00 C ATOM 93 CD1 PHE A 10 1.440 4.747 -3.637 1.00 0.00 C ATOM 94 CD2 PHE A 10 2.754 6.284 -5.064 1.00 0.00 C ATOM 95 CE1 PHE A 10 1.249 3.893 -4.739 1.00 0.00 C ATOM 96 CE2 PHE A 10 2.539 5.429 -6.166 1.00 0.00 C ATOM 97 CZ PHE A 10 1.785 4.256 -5.991 1.00 0.00 C ATOM 0 H PHE A 10 2.205 8.159 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 10 2.591 5.420 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.261 7.278 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.811 7.832 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.021 4.500 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.337 7.187 -5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.698 2.971 -4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.950 5.674 -7.134 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.611 3.613 -6.841 1.00 0.00 H new ATOM 99 N ARG A 11 4.957 7.590 -1.911 1.00 0.00 N ATOM 100 CA ARG A 11 6.308 7.891 -2.368 1.00 0.00 C ATOM 101 C ARG A 11 7.471 7.714 -1.387 1.00 0.00 C ATOM 102 O ARG A 11 8.580 7.381 -1.792 1.00 0.00 O ATOM 103 CB ARG A 11 6.342 9.301 -2.993 1.00 0.00 C ATOM 104 CG ARG A 11 5.885 9.292 -4.449 1.00 0.00 C ATOM 105 CD ARG A 11 6.948 8.699 -5.379 1.00 0.00 C ATOM 106 NE ARG A 11 6.483 8.645 -6.779 1.00 0.00 N ATOM 107 CZ ARG A 11 6.781 9.504 -7.763 1.00 0.00 C ATOM 108 NH1 ARG A 11 7.546 10.574 -7.573 1.00 0.00 N ATOM 109 NH2 ARG A 11 6.469 9.187 -9.012 1.00 0.00 N ATOM 0 H ARG A 11 4.367 8.422 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 11 6.501 7.104 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.702 9.969 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.355 9.700 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.964 8.716 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.655 10.310 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.857 9.298 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.206 7.695 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 11 5.868 7.869 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.932 10.767 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.747 11.202 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.008 8.299 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.689 9.831 -9.772 1.00 0.00 H new ATOM 116 N ILE A 12 7.148 7.812 -0.099 1.00 0.00 N ATOM 117 CA ILE A 12 8.129 7.632 0.979 1.00 0.00 C ATOM 118 C ILE A 12 8.668 6.182 1.059 1.00 0.00 C ATOM 119 O ILE A 12 9.863 5.906 1.101 1.00 0.00 O ATOM 120 CB ILE A 12 7.669 8.187 2.327 1.00 0.00 C ATOM 121 CG1 ILE A 12 7.543 9.711 2.273 1.00 0.00 C ATOM 122 CG2 ILE A 12 8.588 7.802 3.523 1.00 0.00 C ATOM 123 CD1 ILE A 12 6.619 10.307 3.343 1.00 0.00 C ATOM 0 H ILE A 12 6.205 8.017 0.230 1.00 0.00 H new ATOM 0 HA ILE A 12 8.983 8.251 0.705 1.00 0.00 H new ATOM 0 HB ILE A 12 6.698 7.724 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.535 10.150 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.173 9.999 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.191 8.235 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.624 6.717 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.594 8.184 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.587 11.391 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.615 9.900 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.998 10.054 4.333 1.00 0.00 H new ATOM 125 N PHE A 13 7.687 5.298 1.066 1.00 0.00 N ATOM 126 CA PHE A 13 7.813 3.836 1.163 1.00 0.00 C ATOM 127 C PHE A 13 8.148 3.154 -0.175 1.00 0.00 C ATOM 128 O PHE A 13 8.765 2.095 -0.255 1.00 0.00 O ATOM 129 CB PHE A 13 6.421 3.377 1.611 1.00 0.00 C ATOM 130 CG PHE A 13 6.049 3.779 3.050 1.00 0.00 C ATOM 131 CD1 PHE A 13 6.986 3.681 4.109 1.00 0.00 C ATOM 132 CD2 PHE A 13 4.753 4.271 3.294 1.00 0.00 C ATOM 133 CE1 PHE A 13 6.614 4.070 5.418 1.00 0.00 C ATOM 134 CE2 PHE A 13 4.369 4.671 4.584 1.00 0.00 C ATOM 135 CZ PHE A 13 5.306 4.557 5.635 1.00 0.00 C ATOM 0 H PHE A 13 6.712 5.591 1.000 1.00 0.00 H new ATOM 0 HA PHE A 13 8.627 3.572 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.679 3.790 0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.365 2.292 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.982 3.310 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.046 4.342 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.316 3.996 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.378 5.058 4.769 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.014 4.850 6.633 1.00 0.00 H new ATOM 137 N ASP A 14 7.522 3.718 -1.196 1.00 0.00 N ATOM 138 CA ASP A 14 7.454 3.251 -2.573 1.00 0.00 C ATOM 139 C ASP A 14 8.680 3.644 -3.402 1.00 0.00 C ATOM 140 O ASP A 14 8.837 4.749 -3.901 1.00 0.00 O ATOM 141 CB ASP A 14 6.159 3.827 -3.113 1.00 0.00 C ATOM 142 CG ASP A 14 5.280 2.752 -3.738 1.00 0.00 C ATOM 143 OD1 ASP A 14 5.613 1.571 -3.536 1.00 0.00 O ATOM 144 OD2 ASP A 14 4.228 3.144 -4.277 1.00 0.00 O ATOM 0 H ASP A 14 7.004 4.588 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 14 7.461 2.162 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.615 4.318 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.383 4.591 -3.857 1.00 0.00 H new ATOM 146 N LYS A 15 9.602 2.711 -3.213 1.00 0.00 N ATOM 147 CA LYS A 15 10.886 2.565 -3.944 1.00 0.00 C ATOM 148 C LYS A 15 10.734 2.288 -5.465 1.00 0.00 C ATOM 149 O LYS A 15 11.070 3.128 -6.295 1.00 0.00 O ATOM 150 CB LYS A 15 11.732 1.488 -3.259 1.00 0.00 C ATOM 151 CG LYS A 15 12.148 1.930 -1.855 1.00 0.00 C ATOM 152 CD LYS A 15 12.850 0.773 -1.152 1.00 0.00 C ATOM 153 CE LYS A 15 13.271 1.120 0.279 1.00 0.00 C ATOM 154 NZ LYS A 15 14.408 2.047 0.287 1.00 0.00 N ATOM 0 H LYS A 15 9.482 1.985 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 15 11.391 3.530 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.165 0.559 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.619 1.282 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.812 2.792 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.273 2.241 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.186 -0.091 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.731 0.485 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.430 1.567 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.538 0.208 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.672 2.265 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.216 1.609 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.143 2.925 -0.203 1.00 0.00 H new ATOM 159 N ASN A 16 10.292 1.079 -5.816 1.00 0.00 N ATOM 160 CA ASN A 16 10.179 0.528 -7.193 1.00 0.00 C ATOM 161 C ASN A 16 8.893 0.834 -7.993 1.00 0.00 C ATOM 162 O ASN A 16 7.783 0.673 -7.497 1.00 0.00 O ATOM 163 CB ASN A 16 10.339 -0.994 -7.032 1.00 0.00 C ATOM 164 CG ASN A 16 9.345 -1.599 -6.040 1.00 0.00 C ATOM 165 OD1 ASN A 16 9.468 -1.479 -4.830 1.00 0.00 O ATOM 166 ND2 ASN A 16 8.202 -2.018 -6.524 1.00 0.00 N ATOM 0 H ASN A 16 9.981 0.408 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 16 10.943 1.021 -7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.211 -1.472 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.354 -1.214 -6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.431 -2.239 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.083 -2.124 -7.531 1.00 0.00 H new ATOM 170 N ALA A 17 9.002 1.246 -9.266 1.00 0.00 N ATOM 171 CA ALA A 17 7.883 1.274 -10.259 1.00 0.00 C ATOM 172 C ALA A 17 6.539 1.766 -9.754 1.00 0.00 C ATOM 173 O ALA A 17 5.457 1.415 -10.199 1.00 0.00 O ATOM 174 CB ALA A 17 7.847 -0.117 -10.920 1.00 0.00 C ATOM 0 H ALA A 17 9.884 1.579 -9.656 1.00 0.00 H new ATOM 0 HA ALA A 17 8.092 2.050 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.044 -0.149 -11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.800 -0.310 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.672 -0.877 -10.159 1.00 0.00 H new ATOM 176 N ASP A 18 6.707 2.847 -9.003 1.00 0.00 N ATOM 177 CA ASP A 18 5.678 3.500 -8.218 1.00 0.00 C ATOM 178 C ASP A 18 4.922 4.665 -8.803 1.00 0.00 C ATOM 179 O ASP A 18 5.387 5.796 -8.929 1.00 0.00 O ATOM 180 CB ASP A 18 5.992 3.502 -6.757 1.00 0.00 C ATOM 181 CG ASP A 18 7.392 3.994 -6.403 1.00 0.00 C ATOM 182 OD1 ASP A 18 7.641 5.211 -6.577 1.00 0.00 O ATOM 183 OD2 ASP A 18 8.163 3.079 -6.090 1.00 0.00 O ATOM 0 H ASP A 18 7.611 3.312 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 18 4.820 2.835 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.262 4.128 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.870 2.489 -6.372 1.00 0.00 H new ATOM 185 N GLY A 19 4.314 3.954 -9.716 1.00 0.00 N ATOM 186 CA GLY A 19 2.843 3.746 -9.654 1.00 0.00 C ATOM 187 C GLY A 19 2.345 2.595 -8.733 1.00 0.00 C ATOM 188 O GLY A 19 1.138 2.493 -8.536 1.00 0.00 O ATOM 0 H GLY A 19 4.779 3.507 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.380 4.675 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.482 3.555 -10.665 1.00 0.00 H new ATOM 190 N TYR A 20 3.236 1.795 -8.117 1.00 0.00 N ATOM 191 CA TYR A 20 2.843 0.681 -7.224 1.00 0.00 C ATOM 192 C TYR A 20 3.658 0.503 -5.924 1.00 0.00 C ATOM 193 O TYR A 20 4.886 0.628 -5.904 1.00 0.00 O ATOM 194 CB TYR A 20 2.982 -0.650 -7.956 1.00 0.00 C ATOM 195 CG TYR A 20 2.453 -0.630 -9.387 1.00 0.00 C ATOM 196 CD1 TYR A 20 1.056 -0.545 -9.597 1.00 0.00 C ATOM 197 CD2 TYR A 20 3.349 -0.846 -10.450 1.00 0.00 C ATOM 198 CE1 TYR A 20 0.547 -0.664 -10.912 1.00 0.00 C ATOM 199 CE2 TYR A 20 2.840 -0.965 -11.766 1.00 0.00 C ATOM 200 CZ TYR A 20 1.451 -0.884 -11.978 1.00 0.00 C ATOM 201 OH TYR A 20 0.953 -1.087 -13.228 1.00 0.00 O ATOM 0 H TYR A 20 4.245 1.899 -8.222 1.00 0.00 H new ATOM 0 HA TYR A 20 1.825 0.952 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.034 -0.936 -7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.452 -1.419 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.386 -0.391 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.410 -0.920 -10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.514 -0.588 -11.099 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.511 -1.116 -12.599 1.00 0.00 H new ATOM 0 HH TYR A 20 1.692 -1.223 -13.857 1.00 0.00 H new ATOM 204 N ILE A 21 2.947 -0.161 -5.016 1.00 0.00 N ATOM 205 CA ILE A 21 3.359 -0.685 -3.695 1.00 0.00 C ATOM 206 C ILE A 21 3.259 -2.231 -3.687 1.00 0.00 C ATOM 207 O ILE A 21 2.327 -2.811 -4.239 1.00 0.00 O ATOM 208 CB ILE A 21 2.550 0.036 -2.586 1.00 0.00 C ATOM 209 CG1 ILE A 21 3.512 0.755 -1.645 1.00 0.00 C ATOM 210 CG2 ILE A 21 1.679 -0.858 -1.679 1.00 0.00 C ATOM 211 CD1 ILE A 21 3.121 2.192 -1.267 1.00 0.00 C ATOM 0 H ILE A 21 1.965 -0.372 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 21 4.407 -0.468 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 21 1.880 0.690 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.603 0.170 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.498 0.776 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.163 -0.239 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.945 -1.387 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.312 -1.580 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.872 2.609 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.061 2.802 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.152 2.186 -0.768 1.00 0.00 H new ATOM 213 N ASP A 22 4.220 -2.853 -3.002 1.00 0.00 N ATOM 214 CA ASP A 22 4.268 -4.314 -2.740 1.00 0.00 C ATOM 215 C ASP A 22 4.121 -4.657 -1.257 1.00 0.00 C ATOM 216 O ASP A 22 4.248 -3.782 -0.396 1.00 0.00 O ATOM 217 CB ASP A 22 5.577 -4.924 -3.231 1.00 0.00 C ATOM 218 CG ASP A 22 6.779 -3.979 -3.351 1.00 0.00 C ATOM 219 OD1 ASP A 22 7.403 -3.738 -2.292 1.00 0.00 O ATOM 220 OD2 ASP A 22 6.958 -3.439 -4.468 1.00 0.00 O ATOM 0 H ASP A 22 5.012 -2.352 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 22 3.422 -4.731 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.849 -5.735 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.398 -5.371 -4.209 1.00 0.00 H new ATOM 222 N ILE A 23 4.234 -5.952 -0.998 1.00 0.00 N ATOM 223 CA ILE A 23 4.049 -6.562 0.332 1.00 0.00 C ATOM 224 C ILE A 23 4.864 -5.970 1.511 1.00 0.00 C ATOM 225 O ILE A 23 4.293 -5.610 2.534 1.00 0.00 O ATOM 226 CB ILE A 23 4.160 -8.104 0.220 1.00 0.00 C ATOM 227 CG1 ILE A 23 3.709 -8.842 1.485 1.00 0.00 C ATOM 228 CG2 ILE A 23 5.555 -8.591 -0.209 1.00 0.00 C ATOM 229 CD1 ILE A 23 2.183 -8.834 1.639 1.00 0.00 C ATOM 0 H ILE A 23 4.463 -6.635 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 23 3.039 -6.283 0.631 1.00 0.00 H new ATOM 0 HB ILE A 23 3.463 -8.358 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.065 -9.872 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.164 -8.376 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.559 -9.679 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.801 -8.175 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.295 -8.264 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.906 -9.368 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.829 -7.805 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.728 -9.324 0.778 1.00 0.00 H new ATOM 231 N GLU A 24 6.151 -5.743 1.280 1.00 0.00 N ATOM 232 CA GLU A 24 7.047 -5.121 2.288 1.00 0.00 C ATOM 233 C GLU A 24 6.729 -3.652 2.619 1.00 0.00 C ATOM 234 O GLU A 24 6.541 -3.263 3.765 1.00 0.00 O ATOM 235 CB GLU A 24 8.539 -5.327 1.988 1.00 0.00 C ATOM 236 CG GLU A 24 9.059 -4.839 0.620 1.00 0.00 C ATOM 237 CD GLU A 24 8.949 -5.897 -0.477 1.00 0.00 C ATOM 238 OE1 GLU A 24 7.803 -6.108 -0.955 1.00 0.00 O ATOM 239 OE2 GLU A 24 9.983 -6.515 -0.777 1.00 0.00 O ATOM 0 H GLU A 24 6.615 -5.977 0.402 1.00 0.00 H new ATOM 0 HA GLU A 24 6.824 -5.676 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.112 -4.823 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.756 -6.392 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.498 -3.954 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.101 -4.537 0.721 1.00 0.00 H new ATOM 241 N GLU A 25 6.465 -2.946 1.533 1.00 0.00 N ATOM 242 CA GLU A 25 5.970 -1.562 1.481 1.00 0.00 C ATOM 243 C GLU A 25 4.578 -1.412 2.124 1.00 0.00 C ATOM 244 O GLU A 25 4.357 -0.514 2.926 1.00 0.00 O ATOM 245 CB GLU A 25 5.971 -1.188 0.008 1.00 0.00 C ATOM 246 CG GLU A 25 7.404 -0.996 -0.529 1.00 0.00 C ATOM 247 CD GLU A 25 7.481 -0.588 -2.007 1.00 0.00 C ATOM 248 OE1 GLU A 25 6.615 -1.048 -2.783 1.00 0.00 O ATOM 249 OE2 GLU A 25 8.461 0.111 -2.341 1.00 0.00 O ATOM 0 H GLU A 25 6.595 -3.339 0.601 1.00 0.00 H new ATOM 0 HA GLU A 25 6.605 -0.892 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.468 -1.967 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.402 -0.269 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.904 -0.236 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.957 -1.925 -0.392 1.00 0.00 H new ATOM 251 N LEU A 26 3.708 -2.395 1.862 1.00 0.00 N ATOM 252 CA LEU A 26 2.396 -2.547 2.528 1.00 0.00 C ATOM 253 C LEU A 26 2.550 -2.705 4.051 1.00 0.00 C ATOM 254 O LEU A 26 1.940 -1.933 4.806 1.00 0.00 O ATOM 255 CB LEU A 26 1.679 -3.780 1.942 1.00 0.00 C ATOM 256 CG LEU A 26 0.222 -3.827 2.374 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.655 -3.205 1.281 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.209 -5.272 2.621 1.00 0.00 C ATOM 0 H LEU A 26 3.893 -3.122 1.171 1.00 0.00 H new ATOM 0 HA LEU A 26 1.808 -1.647 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.738 -3.755 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.187 -4.688 2.268 1.00 0.00 H new ATOM 0 HG LEU A 26 0.107 -3.263 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.700 -3.238 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.357 -2.169 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.533 -3.765 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.254 -5.292 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.090 -5.849 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.410 -5.707 3.406 1.00 0.00 H new ATOM 260 N GLY A 27 3.459 -3.596 4.468 1.00 0.00 N ATOM 261 CA GLY A 27 3.878 -3.761 5.872 1.00 0.00 C ATOM 262 C GLY A 27 4.249 -2.417 6.514 1.00 0.00 C ATOM 263 O GLY A 27 3.652 -2.022 7.508 1.00 0.00 O ATOM 0 H GLY A 27 3.934 -4.235 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.072 -4.226 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.733 -4.436 5.920 1.00 0.00 H new ATOM 265 N GLU A 28 5.105 -1.671 5.816 1.00 0.00 N ATOM 266 CA GLU A 28 5.522 -0.305 6.193 1.00 0.00 C ATOM 267 C GLU A 28 4.369 0.688 6.406 1.00 0.00 C ATOM 268 O GLU A 28 4.329 1.381 7.424 1.00 0.00 O ATOM 269 CB GLU A 28 6.516 0.253 5.166 1.00 0.00 C ATOM 270 CG GLU A 28 7.862 -0.474 5.186 1.00 0.00 C ATOM 271 CD GLU A 28 8.777 0.061 4.097 1.00 0.00 C ATOM 272 OE1 GLU A 28 9.528 1.025 4.389 1.00 0.00 O ATOM 273 OE2 GLU A 28 8.723 -0.505 2.973 1.00 0.00 O ATOM 0 H GLU A 28 5.541 -1.999 4.954 1.00 0.00 H new ATOM 0 HA GLU A 28 5.999 -0.411 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.082 0.177 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.678 1.313 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.335 -0.348 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.706 -1.543 5.044 1.00 0.00 H new ATOM 275 N ILE A 29 3.373 0.673 5.502 1.00 0.00 N ATOM 276 CA ILE A 29 2.152 1.504 5.631 1.00 0.00 C ATOM 277 C ILE A 29 1.383 1.126 6.916 1.00 0.00 C ATOM 278 O ILE A 29 1.094 2.000 7.728 1.00 0.00 O ATOM 279 CB ILE A 29 1.274 1.443 4.390 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.054 1.772 3.110 1.00 0.00 C ATOM 281 CG2 ILE A 29 0.084 2.418 4.479 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.535 0.999 1.908 1.00 0.00 C ATOM 0 H ILE A 29 3.387 0.090 4.665 1.00 0.00 H new ATOM 0 HA ILE A 29 2.462 2.545 5.718 1.00 0.00 H new ATOM 0 HB ILE A 29 0.912 0.416 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.986 2.841 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.109 1.542 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.517 2.342 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.530 2.165 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.456 3.437 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.117 1.264 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.628 -0.071 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.487 1.248 1.740 1.00 0.00 H new ATOM 284 N LEU A 30 1.187 -0.169 7.126 1.00 0.00 N ATOM 285 CA LEU A 30 0.570 -0.696 8.365 1.00 0.00 C ATOM 286 C LEU A 30 1.263 -0.264 9.656 1.00 0.00 C ATOM 287 O LEU A 30 0.626 0.256 10.568 1.00 0.00 O ATOM 288 CB LEU A 30 0.438 -2.233 8.330 1.00 0.00 C ATOM 289 CG LEU A 30 -0.878 -2.691 7.694 1.00 0.00 C ATOM 290 CD1 LEU A 30 -0.843 -2.615 6.163 1.00 0.00 C ATOM 291 CD2 LEU A 30 -1.159 -4.128 8.108 1.00 0.00 C ATOM 0 H LEU A 30 1.445 -0.892 6.454 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.422 -0.244 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.274 -2.654 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.503 -2.624 9.345 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.663 -2.020 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.799 -2.950 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.660 -1.586 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.046 -3.255 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.095 -4.460 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.346 -4.770 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.238 -4.185 9.194 1.00 0.00 H new ATOM 293 N ARG A 31 2.593 -0.330 9.616 1.00 0.00 N ATOM 294 CA ARG A 31 3.492 0.123 10.699 1.00 0.00 C ATOM 295 C ARG A 31 3.327 1.617 11.027 1.00 0.00 C ATOM 296 O ARG A 31 3.401 2.003 12.187 1.00 0.00 O ATOM 297 CB ARG A 31 4.967 -0.136 10.360 1.00 0.00 C ATOM 298 CG ARG A 31 5.291 -1.621 10.150 1.00 0.00 C ATOM 299 CD ARG A 31 6.740 -1.803 9.709 1.00 0.00 C ATOM 300 NE ARG A 31 6.863 -3.086 8.996 1.00 0.00 N ATOM 301 CZ ARG A 31 7.993 -3.736 8.718 1.00 0.00 C ATOM 302 NH1 ARG A 31 9.115 -3.498 9.376 1.00 0.00 N ATOM 303 NH2 ARG A 31 7.960 -4.821 7.956 1.00 0.00 N ATOM 0 H ARG A 31 3.097 -0.708 8.814 1.00 0.00 H new ATOM 0 HA ARG A 31 3.203 -0.462 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.227 0.416 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.591 0.255 11.164 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.116 -2.170 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.622 -2.041 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.043 -0.981 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.402 -1.787 10.574 1.00 0.00 H new ATOM 0 HE ARG A 31 5.995 -3.521 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.132 -2.800 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.964 -4.012 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.071 -5.156 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.823 -5.320 7.742 1.00 0.00 H new ATOM 310 N ALA A 32 3.152 2.424 9.974 1.00 0.00 N ATOM 311 CA ALA A 32 2.918 3.877 10.076 1.00 0.00 C ATOM 312 C ALA A 32 1.579 4.285 10.704 1.00 0.00 C ATOM 313 O ALA A 32 1.544 5.234 11.486 1.00 0.00 O ATOM 314 CB ALA A 32 3.051 4.511 8.687 1.00 0.00 C ATOM 0 H ALA A 32 3.168 2.086 9.012 1.00 0.00 H new ATOM 0 HA ALA A 32 3.679 4.247 10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.879 5.585 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.053 4.330 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.316 4.070 8.014 1.00 0.00 H new ATOM 316 N THR A 33 0.487 3.617 10.322 1.00 0.00 N ATOM 317 CA THR A 33 -0.867 3.999 10.797 1.00 0.00 C ATOM 318 C THR A 33 -1.463 3.137 11.925 1.00 0.00 C ATOM 319 O THR A 33 -2.010 3.691 12.880 1.00 0.00 O ATOM 320 CB THR A 33 -1.877 4.082 9.639 1.00 0.00 C ATOM 321 OG1 THR A 33 -1.986 2.823 8.973 1.00 0.00 O ATOM 322 CG2 THR A 33 -1.512 5.213 8.666 1.00 0.00 C ATOM 0 H THR A 33 0.502 2.815 9.692 1.00 0.00 H new ATOM 0 HA THR A 33 -0.697 4.983 11.235 1.00 0.00 H new ATOM 0 HB THR A 33 -2.856 4.320 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.882 2.453 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.243 5.248 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.513 6.165 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.521 5.030 8.251 1.00 0.00 H new ATOM 325 N GLY A 34 -1.342 1.822 11.789 1.00 0.00 N ATOM 326 CA GLY A 34 -1.942 0.815 12.704 1.00 0.00 C ATOM 327 C GLY A 34 -3.473 0.798 12.656 1.00 0.00 C ATOM 328 O GLY A 34 -4.119 -0.148 12.219 1.00 0.00 O ATOM 0 H GLY A 34 -0.814 1.399 11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.565 -0.174 12.444 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.618 1.021 13.724 1.00 0.00 H new HETATM 330 N NH2 A 35 -4.069 1.760 13.315 1.00 0.00 N TER 333 NH2 A 35 HETATM 334 C ACE B 0 -0.650 -12.251 13.699 1.00 0.00 C HETATM 335 O ACE B 0 -1.332 -12.753 12.833 1.00 0.00 O HETATM 336 CH3 ACE B 0 -0.458 -12.851 15.091 1.00 0.00 C HETATM 0 H1 ACE B 0 0.600 -13.055 15.256 1.00 0.00 H new HETATM 0 H2 ACE B 0 -0.814 -12.147 15.843 1.00 0.00 H new HETATM 0 H3 ACE B 0 -1.023 -13.780 15.168 1.00 0.00 H new ATOM 337 N LYS B 1 -0.013 -11.146 13.420 1.00 0.00 N ATOM 338 CA LYS B 1 0.737 -10.613 12.257 1.00 0.00 C ATOM 339 C LYS B 1 1.919 -11.498 11.836 1.00 0.00 C ATOM 340 O LYS B 1 2.741 -11.925 12.641 1.00 0.00 O ATOM 341 CB LYS B 1 1.199 -9.176 12.503 1.00 0.00 C ATOM 342 CG LYS B 1 0.028 -8.196 12.342 1.00 0.00 C ATOM 343 CD LYS B 1 0.494 -6.747 12.465 1.00 0.00 C ATOM 344 CE LYS B 1 -0.658 -5.797 12.115 1.00 0.00 C ATOM 345 NZ LYS B 1 -0.202 -4.404 12.230 1.00 0.00 N ATOM 0 H LYS B 1 0.006 -10.434 14.150 1.00 0.00 H new ATOM 0 HA LYS B 1 0.034 -10.618 11.424 1.00 0.00 H new ATOM 0 HB2 LYS B 1 1.617 -9.090 13.506 1.00 0.00 H new ATOM 0 HB3 LYS B 1 1.994 -8.919 11.803 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -0.444 -8.347 11.371 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -0.728 -8.402 13.100 1.00 0.00 H new ATOM 0 HD2 LYS B 1 0.842 -6.553 13.480 1.00 0.00 H new ATOM 0 HD3 LYS B 1 1.338 -6.570 11.799 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -1.009 -5.993 11.102 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -1.501 -5.970 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -0.985 -3.762 11.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 0.112 -4.221 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 0.589 -4.243 11.575 1.00 0.00 H new ATOM 350 N SER B 2 1.863 -11.845 10.552 1.00 0.00 N ATOM 351 CA SER B 2 2.863 -12.693 9.859 1.00 0.00 C ATOM 352 C SER B 2 2.804 -12.395 8.359 1.00 0.00 C ATOM 353 O SER B 2 1.813 -11.874 7.869 1.00 0.00 O ATOM 354 CB SER B 2 2.566 -14.181 10.081 1.00 0.00 C ATOM 355 OG SER B 2 1.371 -14.575 9.383 1.00 0.00 O ATOM 0 H SER B 2 1.106 -11.543 9.938 1.00 0.00 H new ATOM 0 HA SER B 2 3.852 -12.471 10.260 1.00 0.00 H new ATOM 0 HB2 SER B 2 3.408 -14.780 9.735 1.00 0.00 H new ATOM 0 HB3 SER B 2 2.451 -14.378 11.147 1.00 0.00 H new ATOM 0 HG SER B 2 0.630 -14.650 10.020 1.00 0.00 H new ATOM 358 N GLU B 3 3.874 -12.775 7.649 1.00 0.00 N ATOM 359 CA GLU B 3 3.910 -12.743 6.159 1.00 0.00 C ATOM 360 C GLU B 3 2.684 -13.431 5.529 1.00 0.00 C ATOM 361 O GLU B 3 1.989 -12.831 4.716 1.00 0.00 O ATOM 362 CB GLU B 3 5.206 -13.395 5.660 1.00 0.00 C ATOM 363 CG GLU B 3 6.445 -12.576 6.030 1.00 0.00 C ATOM 364 CD GLU B 3 7.721 -13.356 5.727 1.00 0.00 C ATOM 365 OE1 GLU B 3 8.117 -14.142 6.620 1.00 0.00 O ATOM 366 OE2 GLU B 3 8.273 -13.162 4.631 1.00 0.00 O ATOM 0 H GLU B 3 4.737 -13.112 8.075 1.00 0.00 H new ATOM 0 HA GLU B 3 3.881 -11.698 5.849 1.00 0.00 H new ATOM 0 HB2 GLU B 3 5.294 -14.395 6.084 1.00 0.00 H new ATOM 0 HB3 GLU B 3 5.159 -13.511 4.577 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.446 -11.638 5.474 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.413 -12.319 7.089 1.00 0.00 H new ATOM 368 N GLU B 4 2.336 -14.595 6.084 1.00 0.00 N ATOM 369 CA GLU B 4 1.148 -15.387 5.720 1.00 0.00 C ATOM 370 C GLU B 4 -0.165 -14.603 5.896 1.00 0.00 C ATOM 371 O GLU B 4 -0.955 -14.478 4.957 1.00 0.00 O ATOM 372 CB GLU B 4 1.166 -16.671 6.564 1.00 0.00 C ATOM 373 CG GLU B 4 0.124 -17.700 6.130 1.00 0.00 C ATOM 374 CD GLU B 4 0.277 -18.982 6.951 1.00 0.00 C ATOM 375 OE1 GLU B 4 -0.281 -19.004 8.072 1.00 0.00 O ATOM 376 OE2 GLU B 4 1.000 -19.883 6.480 1.00 0.00 O ATOM 0 H GLU B 4 2.888 -15.030 6.823 1.00 0.00 H new ATOM 0 HA GLU B 4 1.189 -15.633 4.659 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.157 -17.122 6.505 1.00 0.00 H new ATOM 0 HB3 GLU B 4 0.996 -16.412 7.609 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -0.878 -17.292 6.262 1.00 0.00 H new ATOM 0 HG3 GLU B 4 0.241 -17.922 5.069 1.00 0.00 H new ATOM 378 N GLU B 5 -0.348 -14.008 7.078 1.00 0.00 N ATOM 379 CA GLU B 5 -1.506 -13.134 7.370 1.00 0.00 C ATOM 380 C GLU B 5 -1.574 -11.884 6.465 1.00 0.00 C ATOM 381 O GLU B 5 -2.638 -11.525 5.980 1.00 0.00 O ATOM 382 CB GLU B 5 -1.528 -12.718 8.849 1.00 0.00 C ATOM 383 CG GLU B 5 -2.426 -13.615 9.713 1.00 0.00 C ATOM 384 CD GLU B 5 -1.975 -15.083 9.766 1.00 0.00 C ATOM 385 OE1 GLU B 5 -0.959 -15.339 10.448 1.00 0.00 O ATOM 386 OE2 GLU B 5 -2.626 -15.897 9.087 1.00 0.00 O ATOM 0 H GLU B 5 0.296 -14.113 7.862 1.00 0.00 H new ATOM 0 HA GLU B 5 -2.391 -13.732 7.151 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -0.512 -12.744 9.243 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -1.873 -11.687 8.925 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.452 -13.217 10.727 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -3.444 -13.572 9.327 1.00 0.00 H new ATOM 388 N LEU B 6 -0.414 -11.267 6.247 1.00 0.00 N ATOM 389 CA LEU B 6 -0.267 -10.082 5.387 1.00 0.00 C ATOM 390 C LEU B 6 -0.567 -10.350 3.904 1.00 0.00 C ATOM 391 O LEU B 6 -1.108 -9.480 3.230 1.00 0.00 O ATOM 392 CB LEU B 6 1.151 -9.515 5.555 1.00 0.00 C ATOM 393 CG LEU B 6 1.170 -7.995 5.409 1.00 0.00 C ATOM 394 CD1 LEU B 6 0.508 -7.322 6.621 1.00 0.00 C ATOM 395 CD2 LEU B 6 2.612 -7.513 5.309 1.00 0.00 C ATOM 0 H LEU B 6 0.464 -11.575 6.665 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.013 -9.356 5.710 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.540 -9.792 6.535 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.812 -9.961 4.812 1.00 0.00 H new ATOM 0 HG LEU B 6 0.617 -7.730 4.508 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.533 -6.240 6.495 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.527 -7.654 6.701 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.048 -7.594 7.528 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.627 -6.428 5.205 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.154 -7.798 6.210 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.088 -7.967 4.440 1.00 0.00 H new ATOM 397 N ALA B 7 -0.258 -11.550 3.417 1.00 0.00 N ATOM 398 CA ALA B 7 -0.629 -12.034 2.080 1.00 0.00 C ATOM 399 C ALA B 7 -2.139 -11.850 1.788 1.00 0.00 C ATOM 400 O ALA B 7 -2.509 -11.207 0.813 1.00 0.00 O ATOM 401 CB ALA B 7 -0.249 -13.505 1.910 1.00 0.00 C ATOM 0 H ALA B 7 0.273 -12.236 3.954 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.072 -11.430 1.363 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -0.533 -13.841 0.913 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.827 -13.620 2.039 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -0.770 -14.104 2.657 1.00 0.00 H new ATOM 403 N ASN B 8 -2.972 -12.247 2.752 1.00 0.00 N ATOM 404 CA ASN B 8 -4.412 -11.982 2.736 1.00 0.00 C ATOM 405 C ASN B 8 -4.787 -10.501 2.715 1.00 0.00 C ATOM 406 O ASN B 8 -5.517 -10.059 1.836 1.00 0.00 O ATOM 407 CB ASN B 8 -5.018 -12.648 3.985 1.00 0.00 C ATOM 408 CG ASN B 8 -4.840 -14.166 4.083 1.00 0.00 C ATOM 409 OD1 ASN B 8 -4.676 -14.903 3.121 1.00 0.00 O ATOM 410 ND2 ASN B 8 -4.780 -14.647 5.298 1.00 0.00 N ATOM 0 H ASN B 8 -2.663 -12.766 3.574 1.00 0.00 H new ATOM 0 HA ASN B 8 -4.808 -12.391 1.807 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -4.573 -12.191 4.869 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -6.084 -12.424 4.012 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.596 -15.639 5.445 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -4.917 -14.030 6.098 1.00 0.00 H new ATOM 414 N ALA B 9 -4.190 -9.727 3.632 1.00 0.00 N ATOM 415 CA ALA B 9 -4.357 -8.260 3.659 1.00 0.00 C ATOM 416 C ALA B 9 -4.064 -7.527 2.351 1.00 0.00 C ATOM 417 O ALA B 9 -4.926 -6.849 1.812 1.00 0.00 O ATOM 418 CB ALA B 9 -3.546 -7.669 4.829 1.00 0.00 C ATOM 0 H ALA B 9 -3.585 -10.090 4.368 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.424 -8.093 3.807 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.670 -6.586 4.848 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.902 -8.091 5.769 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.491 -7.911 4.699 1.00 0.00 H new ATOM 420 N PHE B 10 -2.991 -7.994 1.722 1.00 0.00 N ATOM 421 CA PHE B 10 -2.530 -7.570 0.391 1.00 0.00 C ATOM 422 C PHE B 10 -3.606 -7.771 -0.677 1.00 0.00 C ATOM 423 O PHE B 10 -4.101 -6.820 -1.263 1.00 0.00 O ATOM 424 CB PHE B 10 -1.299 -8.384 0.002 1.00 0.00 C ATOM 425 CG PHE B 10 -0.471 -7.732 -1.116 1.00 0.00 C ATOM 426 CD1 PHE B 10 0.283 -6.572 -0.851 1.00 0.00 C ATOM 427 CD2 PHE B 10 -0.532 -8.298 -2.412 1.00 0.00 C ATOM 428 CE1 PHE B 10 0.993 -5.959 -1.902 1.00 0.00 C ATOM 429 CE2 PHE B 10 0.190 -7.688 -3.458 1.00 0.00 C ATOM 430 CZ PHE B 10 0.948 -6.520 -3.195 1.00 0.00 C ATOM 0 H PHE B 10 -2.390 -8.707 2.136 1.00 0.00 H new ATOM 0 HA PHE B 10 -2.295 -6.507 0.445 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -0.668 -8.519 0.881 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -1.614 -9.376 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE B 10 0.316 -6.158 0.146 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -1.122 -9.183 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE B 10 1.569 -5.064 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE B 10 0.166 -8.108 -4.453 1.00 0.00 H new ATOM 0 HZ PHE B 10 1.500 -6.052 -3.997 1.00 0.00 H new ATOM 432 N ARG B 11 -4.151 -8.970 -0.615 1.00 0.00 N ATOM 433 CA ARG B 11 -5.222 -9.440 -1.503 1.00 0.00 C ATOM 434 C ARG B 11 -6.541 -8.683 -1.376 1.00 0.00 C ATOM 435 O ARG B 11 -7.055 -8.168 -2.367 1.00 0.00 O ATOM 436 CB ARG B 11 -5.455 -10.953 -1.336 1.00 0.00 C ATOM 437 CG ARG B 11 -4.351 -11.749 -2.049 1.00 0.00 C ATOM 438 CD ARG B 11 -4.828 -12.412 -3.342 1.00 0.00 C ATOM 439 NE ARG B 11 -5.399 -11.450 -4.306 1.00 0.00 N ATOM 440 CZ ARG B 11 -5.743 -11.689 -5.568 1.00 0.00 C ATOM 441 NH1 ARG B 11 -5.551 -12.882 -6.139 1.00 0.00 N ATOM 442 NH2 ARG B 11 -6.449 -10.795 -6.243 1.00 0.00 N ATOM 0 H ARG B 11 -3.861 -9.670 0.068 1.00 0.00 H new ATOM 0 HA ARG B 11 -4.860 -9.230 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.471 -11.210 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.429 -11.224 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.519 -11.082 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -3.970 -12.515 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -3.991 -12.932 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.578 -13.166 -3.102 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.545 -10.499 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -5.129 -13.641 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -5.826 -13.033 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.729 -9.923 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -6.713 -10.979 -7.211 1.00 0.00 H new ATOM 449 N ILE B 12 -6.834 -8.357 -0.120 1.00 0.00 N ATOM 450 CA ILE B 12 -8.010 -7.569 0.262 1.00 0.00 C ATOM 451 C ILE B 12 -8.006 -6.140 -0.344 1.00 0.00 C ATOM 452 O ILE B 12 -8.999 -5.635 -0.852 1.00 0.00 O ATOM 453 CB ILE B 12 -8.270 -7.567 1.772 1.00 0.00 C ATOM 454 CG1 ILE B 12 -8.541 -8.998 2.279 1.00 0.00 C ATOM 455 CG2 ILE B 12 -9.422 -6.648 2.229 1.00 0.00 C ATOM 456 CD1 ILE B 12 -8.266 -9.204 3.784 1.00 0.00 C ATOM 0 H ILE B 12 -6.256 -8.634 0.674 1.00 0.00 H new ATOM 0 HA ILE B 12 -8.860 -8.084 -0.186 1.00 0.00 H new ATOM 0 HB ILE B 12 -7.357 -7.162 2.209 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -9.581 -9.252 2.074 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -7.925 -9.695 1.711 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -9.531 -6.713 3.312 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -9.200 -5.619 1.947 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.350 -6.963 1.751 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -8.482 -10.237 4.055 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -7.220 -8.985 3.996 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -8.902 -8.536 4.365 1.00 0.00 H new ATOM 458 N PHE B 13 -6.814 -5.576 -0.291 1.00 0.00 N ATOM 459 CA PHE B 13 -6.465 -4.229 -0.782 1.00 0.00 C ATOM 460 C PHE B 13 -6.284 -4.124 -2.312 1.00 0.00 C ATOM 461 O PHE B 13 -6.582 -3.104 -2.916 1.00 0.00 O ATOM 462 CB PHE B 13 -5.162 -3.879 -0.077 1.00 0.00 C ATOM 463 CG PHE B 13 -5.248 -3.597 1.431 1.00 0.00 C ATOM 464 CD1 PHE B 13 -6.439 -3.121 2.040 1.00 0.00 C ATOM 465 CD2 PHE B 13 -4.125 -3.916 2.224 1.00 0.00 C ATOM 466 CE1 PHE B 13 -6.506 -2.987 3.447 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.183 -3.787 3.628 1.00 0.00 C ATOM 468 CZ PHE B 13 -5.378 -3.313 4.229 1.00 0.00 C ATOM 0 H PHE B 13 -6.012 -6.059 0.114 1.00 0.00 H new ATOM 0 HA PHE B 13 -7.285 -3.544 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -4.461 -4.699 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -4.737 -3.001 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.292 -2.862 1.431 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.216 -4.261 1.754 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.413 -2.638 3.918 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -3.329 -4.046 4.237 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.425 -3.200 5.302 1.00 0.00 H new ATOM 470 N ASP B 14 -5.679 -5.169 -2.873 1.00 0.00 N ATOM 471 CA ASP B 14 -5.371 -5.367 -4.300 1.00 0.00 C ATOM 472 C ASP B 14 -6.642 -5.733 -5.104 1.00 0.00 C ATOM 473 O ASP B 14 -6.701 -6.706 -5.843 1.00 0.00 O ATOM 474 CB ASP B 14 -4.273 -6.437 -4.411 1.00 0.00 C ATOM 475 CG ASP B 14 -3.790 -6.776 -5.830 1.00 0.00 C ATOM 476 OD1 ASP B 14 -4.152 -6.062 -6.789 1.00 0.00 O ATOM 477 OD2 ASP B 14 -3.112 -7.807 -5.951 1.00 0.00 O ATOM 0 H ASP B 14 -5.367 -5.959 -2.308 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.004 -4.439 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.414 -6.106 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.640 -7.353 -3.947 1.00 0.00 H new ATOM 479 N LYS B 15 -7.568 -4.791 -5.018 1.00 0.00 N ATOM 480 CA LYS B 15 -8.872 -4.818 -5.716 1.00 0.00 C ATOM 481 C LYS B 15 -8.794 -5.192 -7.204 1.00 0.00 C ATOM 482 O LYS B 15 -9.491 -6.098 -7.650 1.00 0.00 O ATOM 483 CB LYS B 15 -9.605 -3.481 -5.542 1.00 0.00 C ATOM 484 CG LYS B 15 -10.109 -3.202 -4.125 1.00 0.00 C ATOM 485 CD LYS B 15 -11.093 -4.281 -3.642 1.00 0.00 C ATOM 486 CE LYS B 15 -11.895 -3.830 -2.420 1.00 0.00 C ATOM 487 NZ LYS B 15 -12.955 -2.895 -2.827 1.00 0.00 N ATOM 0 H LYS B 15 -7.442 -3.955 -4.447 1.00 0.00 H new ATOM 0 HA LYS B 15 -9.436 -5.620 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -8.934 -2.674 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -10.454 -3.457 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -9.261 -3.152 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -10.597 -2.228 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -11.779 -4.533 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -10.542 -5.189 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -12.334 -4.696 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -11.234 -3.350 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -13.566 -2.687 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -12.526 -2.013 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -13.523 -3.323 -3.586 1.00 0.00 H new ATOM 492 N ASN B 16 -7.904 -4.526 -7.956 1.00 0.00 N ATOM 493 CA ASN B 16 -7.703 -4.793 -9.382 1.00 0.00 C ATOM 494 C ASN B 16 -6.733 -5.948 -9.754 1.00 0.00 C ATOM 495 O ASN B 16 -6.158 -5.956 -10.844 1.00 0.00 O ATOM 496 CB ASN B 16 -7.353 -3.453 -10.048 1.00 0.00 C ATOM 497 CG ASN B 16 -6.094 -2.779 -9.516 1.00 0.00 C ATOM 498 OD1 ASN B 16 -6.055 -2.221 -8.428 1.00 0.00 O ATOM 499 ND2 ASN B 16 -5.034 -2.835 -10.292 1.00 0.00 N ATOM 0 H ASN B 16 -7.305 -3.787 -7.589 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.636 -5.198 -9.774 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -7.234 -3.617 -11.119 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.194 -2.771 -9.921 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -4.158 -2.408 -9.990 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -5.088 -3.305 -11.196 1.00 0.00 H new ATOM 503 N ALA B 17 -6.450 -6.802 -8.769 1.00 0.00 N ATOM 504 CA ALA B 17 -5.797 -8.129 -8.912 1.00 0.00 C ATOM 505 C ALA B 17 -4.444 -8.190 -9.643 1.00 0.00 C ATOM 506 O ALA B 17 -3.922 -9.262 -9.934 1.00 0.00 O ATOM 507 CB ALA B 17 -6.804 -9.128 -9.510 1.00 0.00 C ATOM 0 H ALA B 17 -6.676 -6.588 -7.798 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.513 -8.400 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.329 -10.103 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -7.667 -9.215 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -7.130 -8.774 -10.488 1.00 0.00 H new ATOM 509 N ASP B 18 -3.719 -7.078 -9.543 1.00 0.00 N ATOM 510 CA ASP B 18 -2.446 -6.875 -10.269 1.00 0.00 C ATOM 511 C ASP B 18 -1.178 -7.348 -9.539 1.00 0.00 C ATOM 512 O ASP B 18 -0.062 -7.086 -10.002 1.00 0.00 O ATOM 513 CB ASP B 18 -2.327 -5.390 -10.679 1.00 0.00 C ATOM 514 CG ASP B 18 -2.232 -4.359 -9.549 1.00 0.00 C ATOM 515 OD1 ASP B 18 -2.358 -4.788 -8.376 1.00 0.00 O ATOM 516 OD2 ASP B 18 -2.060 -3.174 -9.872 1.00 0.00 O ATOM 0 H ASP B 18 -3.989 -6.286 -8.959 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.498 -7.521 -11.145 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -1.444 -5.283 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.191 -5.139 -11.294 1.00 0.00 H new ATOM 518 N GLY B 19 -1.354 -7.976 -8.375 1.00 0.00 N ATOM 519 CA GLY B 19 -0.273 -8.343 -7.446 1.00 0.00 C ATOM 520 C GLY B 19 0.473 -7.128 -6.847 1.00 0.00 C ATOM 521 O GLY B 19 1.591 -7.266 -6.349 1.00 0.00 O ATOM 0 H GLY B 19 -2.277 -8.253 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -0.691 -8.938 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY B 19 0.444 -8.976 -7.969 1.00 0.00 H new ATOM 523 N TYR B 20 -0.203 -5.989 -6.868 1.00 0.00 N ATOM 524 CA TYR B 20 0.300 -4.685 -6.372 1.00 0.00 C ATOM 525 C TYR B 20 -0.846 -3.948 -5.653 1.00 0.00 C ATOM 526 O TYR B 20 -1.968 -4.444 -5.562 1.00 0.00 O ATOM 527 CB TYR B 20 0.689 -3.801 -7.561 1.00 0.00 C ATOM 528 CG TYR B 20 1.529 -4.414 -8.682 1.00 0.00 C ATOM 529 CD1 TYR B 20 2.767 -5.020 -8.387 1.00 0.00 C ATOM 530 CD2 TYR B 20 1.104 -4.234 -10.021 1.00 0.00 C ATOM 531 CE1 TYR B 20 3.596 -5.454 -9.437 1.00 0.00 C ATOM 532 CE2 TYR B 20 1.933 -4.668 -11.071 1.00 0.00 C ATOM 533 CZ TYR B 20 3.170 -5.280 -10.764 1.00 0.00 C ATOM 534 OH TYR B 20 3.938 -5.735 -11.785 1.00 0.00 O ATOM 0 H TYR B 20 -1.151 -5.929 -7.240 1.00 0.00 H new ATOM 0 HA TYR B 20 1.149 -4.865 -5.713 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -0.230 -3.420 -8.006 1.00 0.00 H new ATOM 0 HB3 TYR B 20 1.234 -2.941 -7.171 1.00 0.00 H new ATOM 0 HD1 TYR B 20 3.077 -5.150 -7.361 1.00 0.00 H new ATOM 0 HD2 TYR B 20 0.153 -3.768 -10.234 1.00 0.00 H new ATOM 0 HE1 TYR B 20 4.549 -5.916 -9.225 1.00 0.00 H new ATOM 0 HE2 TYR B 20 1.629 -4.535 -12.099 1.00 0.00 H new ATOM 0 HH TYR B 20 3.499 -5.536 -12.638 1.00 0.00 H new ATOM 537 N ILE B 21 -0.476 -2.838 -5.024 1.00 0.00 N ATOM 538 CA ILE B 21 -1.406 -1.772 -4.597 1.00 0.00 C ATOM 539 C ILE B 21 -0.934 -0.431 -5.214 1.00 0.00 C ATOM 540 O ILE B 21 0.250 -0.217 -5.411 1.00 0.00 O ATOM 541 CB ILE B 21 -1.601 -1.747 -3.074 1.00 0.00 C ATOM 542 CG1 ILE B 21 -2.641 -2.763 -2.613 1.00 0.00 C ATOM 543 CG2 ILE B 21 -1.947 -0.389 -2.448 1.00 0.00 C ATOM 544 CD1 ILE B 21 -2.047 -4.132 -2.307 1.00 0.00 C ATOM 0 H ILE B 21 0.496 -2.640 -4.787 1.00 0.00 H new ATOM 0 HA ILE B 21 -2.409 -1.971 -4.976 1.00 0.00 H new ATOM 0 HB ILE B 21 -0.605 -2.005 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -3.141 -2.383 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -3.403 -2.869 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -2.059 -0.503 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -1.148 0.322 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -2.881 -0.020 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -2.839 -4.808 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -1.572 -4.531 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -1.305 -4.038 -1.514 1.00 0.00 H new ATOM 546 N ASP B 22 -1.901 0.413 -5.543 1.00 0.00 N ATOM 547 CA ASP B 22 -1.683 1.771 -6.059 1.00 0.00 C ATOM 548 C ASP B 22 -2.260 2.876 -5.171 1.00 0.00 C ATOM 549 O ASP B 22 -3.034 2.633 -4.249 1.00 0.00 O ATOM 550 CB ASP B 22 -2.172 1.895 -7.505 1.00 0.00 C ATOM 551 CG ASP B 22 -3.189 0.859 -7.992 1.00 0.00 C ATOM 552 OD1 ASP B 22 -4.383 1.103 -7.711 1.00 0.00 O ATOM 553 OD2 ASP B 22 -2.764 -0.139 -8.608 1.00 0.00 O ATOM 0 H ASP B 22 -2.889 0.173 -5.459 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.604 1.926 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -2.612 2.884 -7.629 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -1.302 1.849 -8.161 1.00 0.00 H new ATOM 555 N ILE B 23 -2.028 4.099 -5.635 1.00 0.00 N ATOM 556 CA ILE B 23 -2.359 5.359 -4.942 1.00 0.00 C ATOM 557 C ILE B 23 -3.738 5.492 -4.269 1.00 0.00 C ATOM 558 O ILE B 23 -3.835 5.862 -3.102 1.00 0.00 O ATOM 559 CB ILE B 23 -2.000 6.527 -5.887 1.00 0.00 C ATOM 560 CG1 ILE B 23 -2.046 7.897 -5.189 1.00 0.00 C ATOM 561 CG2 ILE B 23 -2.849 6.566 -7.168 1.00 0.00 C ATOM 562 CD1 ILE B 23 -0.831 8.125 -4.293 1.00 0.00 C ATOM 0 H ILE B 23 -1.586 4.256 -6.541 1.00 0.00 H new ATOM 0 HA ILE B 23 -1.746 5.375 -4.041 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.970 6.325 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.095 8.685 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.955 7.969 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.541 7.412 -7.783 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -2.708 5.641 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.901 6.673 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -0.906 9.105 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -0.796 7.353 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.078 8.080 -4.894 1.00 0.00 H new ATOM 564 N GLU B 24 -4.798 5.086 -4.965 1.00 0.00 N ATOM 565 CA GLU B 24 -6.166 5.165 -4.428 1.00 0.00 C ATOM 566 C GLU B 24 -6.487 4.137 -3.339 1.00 0.00 C ATOM 567 O GLU B 24 -6.940 4.452 -2.235 1.00 0.00 O ATOM 568 CB GLU B 24 -7.234 5.132 -5.530 1.00 0.00 C ATOM 569 CG GLU B 24 -7.011 6.224 -6.591 1.00 0.00 C ATOM 570 CD GLU B 24 -6.962 7.646 -6.019 1.00 0.00 C ATOM 571 OE1 GLU B 24 -8.053 8.204 -5.761 1.00 0.00 O ATOM 572 OE2 GLU B 24 -5.822 8.164 -5.902 1.00 0.00 O ATOM 0 H GLU B 24 -4.741 4.697 -5.906 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.198 6.140 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.227 4.154 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.219 5.259 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -6.077 6.022 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.810 6.168 -7.330 1.00 0.00 H new ATOM 574 N GLU B 25 -6.092 2.921 -3.671 1.00 0.00 N ATOM 575 CA GLU B 25 -6.007 1.752 -2.777 1.00 0.00 C ATOM 576 C GLU B 25 -5.212 2.048 -1.491 1.00 0.00 C ATOM 577 O GLU B 25 -5.660 1.718 -0.391 1.00 0.00 O ATOM 578 CB GLU B 25 -5.343 0.659 -3.594 1.00 0.00 C ATOM 579 CG GLU B 25 -6.275 0.031 -4.630 1.00 0.00 C ATOM 580 CD GLU B 25 -5.589 -1.113 -5.403 1.00 0.00 C ATOM 581 OE1 GLU B 25 -4.408 -0.899 -5.763 1.00 0.00 O ATOM 582 OE2 GLU B 25 -6.245 -2.152 -5.599 1.00 0.00 O ATOM 0 H GLU B 25 -5.803 2.697 -4.623 1.00 0.00 H new ATOM 0 HA GLU B 25 -6.999 1.459 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.472 1.073 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.981 -0.119 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -7.166 -0.351 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.605 0.796 -5.332 1.00 0.00 H new ATOM 584 N LEU B 26 -4.106 2.791 -1.644 1.00 0.00 N ATOM 585 CA LEU B 26 -3.293 3.298 -0.515 1.00 0.00 C ATOM 586 C LEU B 26 -4.100 4.115 0.511 1.00 0.00 C ATOM 587 O LEU B 26 -3.966 3.870 1.707 1.00 0.00 O ATOM 588 CB LEU B 26 -2.150 4.136 -1.095 1.00 0.00 C ATOM 589 CG LEU B 26 -1.143 4.560 -0.030 1.00 0.00 C ATOM 590 CD1 LEU B 26 0.007 3.561 0.022 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.601 5.944 -0.344 1.00 0.00 C ATOM 0 H LEU B 26 -3.743 3.062 -2.558 1.00 0.00 H new ATOM 0 HA LEU B 26 -2.912 2.440 0.039 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.638 3.562 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.561 5.023 -1.576 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.645 4.585 0.937 1.00 0.00 H new ATOM 0 HD11 LEU B 26 0.723 3.869 0.784 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.381 2.572 0.267 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.503 3.526 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.117 6.236 0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.108 5.930 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.422 6.660 -0.364 1.00 0.00 H new ATOM 593 N GLY B 27 -5.017 4.948 0.020 1.00 0.00 N ATOM 594 CA GLY B 27 -5.968 5.728 0.837 1.00 0.00 C ATOM 595 C GLY B 27 -6.686 4.879 1.892 1.00 0.00 C ATOM 596 O GLY B 27 -6.467 5.055 3.086 1.00 0.00 O ATOM 0 H GLY B 27 -5.128 5.109 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -5.433 6.538 1.333 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -6.709 6.188 0.183 1.00 0.00 H new ATOM 598 N GLU B 28 -7.265 3.781 1.401 1.00 0.00 N ATOM 599 CA GLU B 28 -7.969 2.779 2.237 1.00 0.00 C ATOM 600 C GLU B 28 -7.092 2.219 3.373 1.00 0.00 C ATOM 601 O GLU B 28 -7.483 2.265 4.534 1.00 0.00 O ATOM 602 CB GLU B 28 -8.477 1.610 1.378 1.00 0.00 C ATOM 603 CG GLU B 28 -9.418 2.012 0.232 1.00 0.00 C ATOM 604 CD GLU B 28 -10.680 2.735 0.715 1.00 0.00 C ATOM 605 OE1 GLU B 28 -11.575 2.037 1.245 1.00 0.00 O ATOM 606 OE2 GLU B 28 -10.748 3.956 0.463 1.00 0.00 O ATOM 0 H GLU B 28 -7.264 3.552 0.407 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.808 3.306 2.690 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.618 1.087 0.957 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.996 0.902 2.024 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.880 2.658 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.708 1.119 -0.322 1.00 0.00 H new ATOM 608 N ILE B 29 -5.847 1.893 3.021 1.00 0.00 N ATOM 609 CA ILE B 29 -4.851 1.338 3.964 1.00 0.00 C ATOM 610 C ILE B 29 -4.499 2.399 5.038 1.00 0.00 C ATOM 611 O ILE B 29 -4.628 2.127 6.228 1.00 0.00 O ATOM 612 CB ILE B 29 -3.617 0.806 3.249 1.00 0.00 C ATOM 613 CG1 ILE B 29 -3.979 -0.083 2.037 1.00 0.00 C ATOM 614 CG2 ILE B 29 -2.754 -0.029 4.211 1.00 0.00 C ATOM 615 CD1 ILE B 29 -2.842 -0.233 1.028 1.00 0.00 C ATOM 0 H ILE B 29 -5.491 2.004 2.072 1.00 0.00 H new ATOM 0 HA ILE B 29 -5.293 0.477 4.466 1.00 0.00 H new ATOM 0 HB ILE B 29 -3.067 1.678 2.896 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.269 -1.071 2.395 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -4.848 0.341 1.533 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -1.876 -0.401 3.683 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -2.437 0.593 5.048 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -3.337 -0.871 4.585 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.167 -0.869 0.205 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -2.567 0.748 0.641 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -1.979 -0.685 1.517 1.00 0.00 H new ATOM 617 N LEU B 30 -4.197 3.617 4.580 1.00 0.00 N ATOM 618 CA LEU B 30 -3.877 4.772 5.463 1.00 0.00 C ATOM 619 C LEU B 30 -4.918 5.108 6.531 1.00 0.00 C ATOM 620 O LEU B 30 -4.590 5.411 7.667 1.00 0.00 O ATOM 621 CB LEU B 30 -3.588 6.032 4.629 1.00 0.00 C ATOM 622 CG LEU B 30 -2.243 5.975 3.901 1.00 0.00 C ATOM 623 CD1 LEU B 30 -2.162 7.147 2.927 1.00 0.00 C ATOM 624 CD2 LEU B 30 -1.062 6.013 4.867 1.00 0.00 C ATOM 0 H LEU B 30 -4.164 3.844 3.586 1.00 0.00 H new ATOM 0 HA LEU B 30 -2.992 4.443 6.009 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -4.385 6.167 3.898 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -3.604 6.904 5.282 1.00 0.00 H new ATOM 0 HG LEU B 30 -2.184 5.028 3.364 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.208 7.118 2.401 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -2.976 7.077 2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -2.245 8.084 3.478 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.130 5.970 4.304 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -1.095 6.936 5.445 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.117 5.160 5.543 1.00 0.00 H new ATOM 626 N ARG B 31 -6.174 5.033 6.106 1.00 0.00 N ATOM 627 CA ARG B 31 -7.356 5.273 6.964 1.00 0.00 C ATOM 628 C ARG B 31 -7.421 4.303 8.168 1.00 0.00 C ATOM 629 O ARG B 31 -7.876 4.670 9.252 1.00 0.00 O ATOM 630 CB ARG B 31 -8.670 5.164 6.186 1.00 0.00 C ATOM 631 CG ARG B 31 -8.796 6.064 4.942 1.00 0.00 C ATOM 632 CD ARG B 31 -8.669 7.563 5.216 1.00 0.00 C ATOM 633 NE ARG B 31 -8.949 8.288 3.969 1.00 0.00 N ATOM 634 CZ ARG B 31 -8.116 9.071 3.284 1.00 0.00 C ATOM 635 NH1 ARG B 31 -6.904 9.371 3.707 1.00 0.00 N ATOM 636 NH2 ARG B 31 -8.463 9.480 2.068 1.00 0.00 N ATOM 0 H ARG B 31 -6.416 4.801 5.143 1.00 0.00 H new ATOM 0 HA ARG B 31 -7.235 6.292 7.331 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -8.800 4.128 5.875 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -9.491 5.398 6.864 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.029 5.775 4.223 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.761 5.876 4.472 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.367 7.866 5.996 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -7.667 7.799 5.575 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.887 8.180 3.584 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -6.567 8.999 4.595 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -6.303 9.975 3.146 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.358 9.194 1.670 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -7.835 10.080 1.533 1.00 0.00 H new ATOM 643 N ALA B 32 -6.963 3.076 7.944 1.00 0.00 N ATOM 644 CA ALA B 32 -6.964 1.994 8.944 1.00 0.00 C ATOM 645 C ALA B 32 -5.744 2.008 9.888 1.00 0.00 C ATOM 646 O ALA B 32 -4.601 2.062 9.453 1.00 0.00 O ATOM 647 CB ALA B 32 -7.017 0.626 8.265 1.00 0.00 C ATOM 0 H ALA B 32 -6.571 2.792 7.046 1.00 0.00 H new ATOM 0 HA ALA B 32 -7.855 2.173 9.546 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -7.017 -0.157 9.023 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -7.925 0.552 7.667 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.147 0.506 7.620 1.00 0.00 H new ATOM 649 N THR B 33 -5.985 2.008 11.194 1.00 0.00 N ATOM 650 CA THR B 33 -7.282 2.201 11.878 1.00 0.00 C ATOM 651 C THR B 33 -7.225 3.457 12.763 1.00 0.00 C ATOM 652 O THR B 33 -6.583 3.448 13.817 1.00 0.00 O ATOM 653 CB THR B 33 -7.656 0.987 12.738 1.00 0.00 C ATOM 654 OG1 THR B 33 -6.543 0.373 13.403 1.00 0.00 O ATOM 655 CG2 THR B 33 -8.477 -0.036 11.948 1.00 0.00 C ATOM 0 H THR B 33 -5.229 1.863 11.863 1.00 0.00 H new ATOM 0 HA THR B 33 -8.046 2.321 11.110 1.00 0.00 H new ATOM 0 HB THR B 33 -8.285 1.383 13.535 1.00 0.00 H new ATOM 0 HG1 THR B 33 -5.831 1.035 13.528 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.722 -0.881 12.592 1.00 0.00 H new ATOM 0 HG22 THR B 33 -9.397 0.430 11.595 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.897 -0.387 11.094 1.00 0.00 H new ATOM 658 N GLY B 34 -7.633 4.565 12.144 1.00 0.00 N ATOM 659 CA GLY B 34 -7.704 5.888 12.806 1.00 0.00 C ATOM 660 C GLY B 34 -8.952 6.060 13.682 1.00 0.00 C ATOM 661 O GLY B 34 -9.513 5.129 14.249 1.00 0.00 O ATOM 0 H GLY B 34 -7.926 4.581 11.167 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -6.815 6.028 13.421 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -7.692 6.669 12.045 1.00 0.00 H new HETATM 663 N NH2 B 35 -9.427 7.277 13.795 1.00 0.00 N TER 666 NH2 B 35 HETATM 667 CA CA A 69 7.545 0.543 -4.896 1.00 0.00 CA HETATM 668 CA CA B 70 -4.106 -3.344 -6.883 1.00 0.00 CA