USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 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 Set 1.1: B 1 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Set 1.2: B 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.752 X(o=-0.75,f=-0.79) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 0.00454 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.145 K(o=0.15,f=-2) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 49:sc= 0.436 USER MOD Single : B 8 ASN : amide:sc=0.000898 X(o=0.0009,f=-0.0017) USER MOD Single : B 15 LYS NZ :NH3+ 175:sc= 0.267 (180deg=0.206) USER MOD Single : B 16 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.9) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 45:sc= 0.387 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 5.344 19.442 -6.909 1.00 0.00 C HETATM 2 O ACE A 0 4.799 18.676 -7.678 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.661 19.119 -6.179 1.00 0.00 C HETATM 0 H1 ACE A 0 7.419 19.853 -6.453 1.00 0.00 H new HETATM 0 H2 ACE A 0 6.497 19.152 -5.102 1.00 0.00 H new HETATM 0 H3 ACE A 0 7.000 18.123 -6.464 1.00 0.00 H new ATOM 4 N LYS A 1 4.720 20.538 -6.578 1.00 0.00 N ATOM 5 CA LYS A 1 3.537 20.671 -5.714 1.00 0.00 C ATOM 6 C LYS A 1 2.212 20.486 -6.479 1.00 0.00 C ATOM 7 O LYS A 1 1.919 21.199 -7.438 1.00 0.00 O ATOM 8 CB LYS A 1 3.602 22.036 -5.025 1.00 0.00 C ATOM 9 CG LYS A 1 3.045 21.965 -3.602 1.00 0.00 C ATOM 10 CD LYS A 1 3.504 23.189 -2.813 1.00 0.00 C ATOM 11 CE LYS A 1 3.253 23.033 -1.317 1.00 0.00 C ATOM 12 NZ LYS A 1 3.950 24.116 -0.606 1.00 0.00 N ATOM 0 H LYS A 1 5.036 21.444 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 1 3.552 19.873 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.635 22.383 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.036 22.766 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.956 21.923 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.387 21.054 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.567 23.354 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.980 24.073 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.184 23.070 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.612 22.063 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 3.787 24.021 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.970 24.059 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.587 25.035 -0.931 1.00 0.00 H new ATOM 17 N SER A 2 1.600 19.347 -6.201 1.00 0.00 N ATOM 18 CA SER A 2 0.235 18.994 -6.649 1.00 0.00 C ATOM 19 C SER A 2 -0.597 18.574 -5.407 1.00 0.00 C ATOM 20 O SER A 2 -0.452 19.191 -4.344 1.00 0.00 O ATOM 21 CB SER A 2 0.333 17.906 -7.730 1.00 0.00 C ATOM 22 OG SER A 2 0.916 16.724 -7.174 1.00 0.00 O ATOM 0 H SER A 2 2.038 18.613 -5.644 1.00 0.00 H new ATOM 0 HA SER A 2 -0.280 19.839 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.658 17.683 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.937 18.263 -8.565 1.00 0.00 H new ATOM 0 HG SER A 2 0.975 16.032 -7.866 1.00 0.00 H new ATOM 25 N GLU A 3 -1.383 17.497 -5.491 1.00 0.00 N ATOM 26 CA GLU A 3 -2.147 16.960 -4.351 1.00 0.00 C ATOM 27 C GLU A 3 -1.258 16.110 -3.427 1.00 0.00 C ATOM 28 O GLU A 3 -1.443 14.907 -3.232 1.00 0.00 O ATOM 29 CB GLU A 3 -3.383 16.185 -4.857 1.00 0.00 C ATOM 30 CG GLU A 3 -4.625 17.066 -4.995 1.00 0.00 C ATOM 31 CD GLU A 3 -4.452 18.273 -5.918 1.00 0.00 C ATOM 32 OE1 GLU A 3 -4.218 18.037 -7.128 1.00 0.00 O ATOM 33 OE2 GLU A 3 -4.525 19.405 -5.395 1.00 0.00 O ATOM 0 H GLU A 3 -1.511 16.968 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.504 17.793 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.153 15.737 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.599 15.367 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.447 16.455 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.914 17.421 -4.006 1.00 0.00 H new ATOM 35 N GLU A 4 -0.357 16.835 -2.767 1.00 0.00 N ATOM 36 CA GLU A 4 0.719 16.276 -1.915 1.00 0.00 C ATOM 37 C GLU A 4 0.208 15.331 -0.817 1.00 0.00 C ATOM 38 O GLU A 4 0.853 14.339 -0.485 1.00 0.00 O ATOM 39 CB GLU A 4 1.565 17.390 -1.303 1.00 0.00 C ATOM 40 CG GLU A 4 2.241 18.302 -2.332 1.00 0.00 C ATOM 41 CD GLU A 4 3.191 17.586 -3.291 1.00 0.00 C ATOM 42 OE1 GLU A 4 4.387 17.466 -2.931 1.00 0.00 O ATOM 43 OE2 GLU A 4 2.767 17.378 -4.457 1.00 0.00 O ATOM 0 H GLU A 4 -0.345 17.854 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 4 1.338 15.673 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.933 17.997 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.332 16.943 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.469 18.805 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.796 19.076 -1.802 1.00 0.00 H new ATOM 45 N GLU A 5 -0.885 15.716 -0.168 1.00 0.00 N ATOM 46 CA GLU A 5 -1.672 14.826 0.701 1.00 0.00 C ATOM 47 C GLU A 5 -2.726 13.995 -0.068 1.00 0.00 C ATOM 48 O GLU A 5 -3.500 14.547 -0.846 1.00 0.00 O ATOM 49 CB GLU A 5 -2.361 15.592 1.830 1.00 0.00 C ATOM 50 CG GLU A 5 -1.378 15.883 2.972 1.00 0.00 C ATOM 51 CD GLU A 5 -1.396 17.364 3.344 1.00 0.00 C ATOM 52 OE1 GLU A 5 -2.242 17.743 4.191 1.00 0.00 O ATOM 53 OE2 GLU A 5 -0.593 18.107 2.731 1.00 0.00 O ATOM 0 H GLU A 5 -1.260 16.663 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.945 14.134 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.766 16.528 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.203 15.012 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.639 15.282 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.371 15.591 2.673 1.00 0.00 H new ATOM 55 N LEU A 6 -2.745 12.682 0.100 1.00 0.00 N ATOM 56 CA LEU A 6 -1.695 11.862 0.722 1.00 0.00 C ATOM 57 C LEU A 6 -0.550 11.352 -0.192 1.00 0.00 C ATOM 58 O LEU A 6 0.306 10.599 0.261 1.00 0.00 O ATOM 59 CB LEU A 6 -2.236 10.740 1.638 1.00 0.00 C ATOM 60 CG LEU A 6 -3.258 9.882 0.908 1.00 0.00 C ATOM 61 CD1 LEU A 6 -2.631 8.700 0.156 1.00 0.00 C ATOM 62 CD2 LEU A 6 -4.271 9.292 1.906 1.00 0.00 C ATOM 0 H LEU A 6 -3.537 12.119 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.207 12.606 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.410 10.116 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.692 11.179 2.525 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.735 10.547 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.414 8.129 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.926 9.074 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.107 8.056 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.996 8.680 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.746 8.676 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.789 10.102 2.420 1.00 0.00 H new ATOM 64 N ALA A 7 -0.484 11.866 -1.427 1.00 0.00 N ATOM 65 CA ALA A 7 0.436 11.414 -2.485 1.00 0.00 C ATOM 66 C ALA A 7 1.897 11.173 -2.068 1.00 0.00 C ATOM 67 O ALA A 7 2.480 10.138 -2.383 1.00 0.00 O ATOM 68 CB ALA A 7 0.414 12.389 -3.670 1.00 0.00 C ATOM 0 H ALA A 7 -1.087 12.631 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 7 0.048 10.432 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.100 12.039 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.595 12.443 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.722 13.379 -3.333 1.00 0.00 H new ATOM 70 N ASN A 8 2.439 12.081 -1.254 1.00 0.00 N ATOM 71 CA ASN A 8 3.774 11.960 -0.653 1.00 0.00 C ATOM 72 C ASN A 8 4.035 10.658 0.107 1.00 0.00 C ATOM 73 O ASN A 8 4.981 9.946 -0.217 1.00 0.00 O ATOM 74 CB ASN A 8 3.922 13.154 0.301 1.00 0.00 C ATOM 75 CG ASN A 8 3.977 14.544 -0.337 1.00 0.00 C ATOM 76 OD1 ASN A 8 3.801 14.771 -1.525 1.00 0.00 O ATOM 77 ND2 ASN A 8 4.068 15.550 0.500 1.00 0.00 N ATOM 0 H ASN A 8 1.955 12.938 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 8 4.505 11.950 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.087 13.135 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.831 13.012 0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.992 16.507 0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.215 15.375 1.494 1.00 0.00 H new ATOM 81 N ALA A 9 3.098 10.285 0.964 1.00 0.00 N ATOM 82 CA ALA A 9 3.142 9.017 1.725 1.00 0.00 C ATOM 83 C ALA A 9 3.282 7.761 0.874 1.00 0.00 C ATOM 84 O ALA A 9 4.218 6.987 1.054 1.00 0.00 O ATOM 85 CB ALA A 9 1.938 8.918 2.664 1.00 0.00 C ATOM 0 H ALA A 9 2.272 10.849 1.163 1.00 0.00 H new ATOM 0 HA ALA A 9 4.062 9.058 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.984 7.980 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.953 9.753 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.018 8.950 2.081 1.00 0.00 H new ATOM 87 N PHE A 10 2.557 7.791 -0.239 1.00 0.00 N ATOM 88 CA PHE A 10 2.608 6.765 -1.291 1.00 0.00 C ATOM 89 C PHE A 10 4.011 6.584 -1.852 1.00 0.00 C ATOM 90 O PHE A 10 4.608 5.515 -1.754 1.00 0.00 O ATOM 91 CB PHE A 10 1.692 7.156 -2.457 1.00 0.00 C ATOM 92 CG PHE A 10 1.403 5.974 -3.397 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.519 4.957 -2.984 1.00 0.00 C ATOM 94 CD2 PHE A 10 2.137 5.868 -4.590 1.00 0.00 C ATOM 95 CE1 PHE A 10 0.390 3.795 -3.768 1.00 0.00 C ATOM 96 CE2 PHE A 10 2.001 4.709 -5.385 1.00 0.00 C ATOM 97 CZ PHE A 10 1.128 3.681 -4.966 1.00 0.00 C ATOM 0 H PHE A 10 1.901 8.544 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 10 2.284 5.833 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.752 7.542 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.155 7.963 -3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.054 5.068 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.799 6.665 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.268 2.998 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.559 4.610 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.023 2.793 -5.572 1.00 0.00 H new ATOM 99 N ARG A 11 4.560 7.725 -2.214 1.00 0.00 N ATOM 100 CA ARG A 11 5.906 7.866 -2.787 1.00 0.00 C ATOM 101 C ARG A 11 7.040 7.435 -1.847 1.00 0.00 C ATOM 102 O ARG A 11 7.922 6.684 -2.236 1.00 0.00 O ATOM 103 CB ARG A 11 6.160 9.275 -3.329 1.00 0.00 C ATOM 104 CG ARG A 11 5.407 9.550 -4.640 1.00 0.00 C ATOM 105 CD ARG A 11 5.947 8.715 -5.801 1.00 0.00 C ATOM 106 NE ARG A 11 5.352 9.162 -7.066 1.00 0.00 N ATOM 107 CZ ARG A 11 5.973 9.812 -8.058 1.00 0.00 C ATOM 108 NH1 ARG A 11 7.269 10.102 -8.003 1.00 0.00 N ATOM 109 NH2 ARG A 11 5.295 10.222 -9.118 1.00 0.00 N ATOM 0 H ARG A 11 4.075 8.617 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 11 5.920 7.166 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.858 10.008 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.229 9.409 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.348 9.334 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.487 10.608 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.032 8.805 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.721 7.661 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 11 4.363 8.956 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.819 9.828 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.714 10.598 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.293 10.043 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.775 10.717 -9.870 1.00 0.00 H new ATOM 116 N ILE A 12 6.793 7.712 -0.576 1.00 0.00 N ATOM 117 CA ILE A 12 7.676 7.331 0.536 1.00 0.00 C ATOM 118 C ILE A 12 7.847 5.793 0.648 1.00 0.00 C ATOM 119 O ILE A 12 8.947 5.262 0.802 1.00 0.00 O ATOM 120 CB ILE A 12 7.307 7.993 1.862 1.00 0.00 C ATOM 121 CG1 ILE A 12 7.516 9.522 1.775 1.00 0.00 C ATOM 122 CG2 ILE A 12 8.047 7.441 3.098 1.00 0.00 C ATOM 123 CD1 ILE A 12 6.717 10.333 2.805 1.00 0.00 C ATOM 0 H ILE A 12 5.960 8.217 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 12 8.659 7.732 0.289 1.00 0.00 H new ATOM 0 HB ILE A 12 6.255 7.750 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.576 9.739 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.241 9.857 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.716 7.975 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.828 6.379 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.121 7.578 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.924 11.395 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.652 10.150 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.008 10.030 3.811 1.00 0.00 H new ATOM 125 N PHE A 13 6.710 5.126 0.499 1.00 0.00 N ATOM 126 CA PHE A 13 6.533 3.668 0.535 1.00 0.00 C ATOM 127 C PHE A 13 6.974 2.927 -0.746 1.00 0.00 C ATOM 128 O PHE A 13 7.443 1.796 -0.710 1.00 0.00 O ATOM 129 CB PHE A 13 5.037 3.458 0.773 1.00 0.00 C ATOM 130 CG PHE A 13 4.433 3.951 2.103 1.00 0.00 C ATOM 131 CD1 PHE A 13 5.219 4.116 3.272 1.00 0.00 C ATOM 132 CD2 PHE A 13 3.074 4.362 2.087 1.00 0.00 C ATOM 133 CE1 PHE A 13 4.642 4.707 4.422 1.00 0.00 C ATOM 134 CE2 PHE A 13 2.499 4.959 3.231 1.00 0.00 C ATOM 135 CZ PHE A 13 3.299 5.126 4.390 1.00 0.00 C ATOM 0 H PHE A 13 5.828 5.613 0.340 1.00 0.00 H new ATOM 0 HA PHE A 13 7.171 3.250 1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.499 3.948 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.834 2.390 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.250 3.793 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.478 4.218 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.230 4.836 5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.469 5.282 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.868 5.585 5.268 1.00 0.00 H new ATOM 137 N ASP A 14 6.646 3.542 -1.885 1.00 0.00 N ATOM 138 CA ASP A 14 6.910 3.108 -3.279 1.00 0.00 C ATOM 139 C ASP A 14 8.396 3.151 -3.699 1.00 0.00 C ATOM 140 O ASP A 14 8.759 3.527 -4.815 1.00 0.00 O ATOM 141 CB ASP A 14 5.995 3.948 -4.191 1.00 0.00 C ATOM 142 CG ASP A 14 6.125 3.760 -5.714 1.00 0.00 C ATOM 143 OD1 ASP A 14 6.446 2.648 -6.181 1.00 0.00 O ATOM 144 OD2 ASP A 14 5.869 4.769 -6.409 1.00 0.00 O ATOM 0 H ASP A 14 6.147 4.431 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 14 6.677 2.047 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.962 3.736 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.175 5.000 -3.968 1.00 0.00 H new ATOM 146 N LYS A 15 9.175 2.515 -2.844 1.00 0.00 N ATOM 147 CA LYS A 15 10.637 2.279 -2.986 1.00 0.00 C ATOM 148 C LYS A 15 11.058 1.815 -4.393 1.00 0.00 C ATOM 149 O LYS A 15 11.837 2.499 -5.052 1.00 0.00 O ATOM 150 CB LYS A 15 11.130 1.256 -1.967 1.00 0.00 C ATOM 151 CG LYS A 15 11.055 1.778 -0.539 1.00 0.00 C ATOM 152 CD LYS A 15 11.501 0.657 0.379 1.00 0.00 C ATOM 153 CE LYS A 15 11.432 1.076 1.839 1.00 0.00 C ATOM 154 NZ LYS A 15 11.693 -0.093 2.692 1.00 0.00 N ATOM 0 H LYS A 15 8.805 2.120 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 15 11.098 3.250 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.534 0.347 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.160 0.984 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.695 2.652 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.039 2.090 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.871 -0.218 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.521 0.365 0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.164 1.858 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.450 1.493 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.182 0.012 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.369 -0.955 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.713 -0.165 2.880 1.00 0.00 H new ATOM 159 N ASN A 16 10.517 0.683 -4.860 1.00 0.00 N ATOM 160 CA ASN A 16 10.898 0.092 -6.145 1.00 0.00 C ATOM 161 C ASN A 16 10.263 0.698 -7.415 1.00 0.00 C ATOM 162 O ASN A 16 10.009 0.004 -8.398 1.00 0.00 O ATOM 163 CB ASN A 16 10.756 -1.432 -6.036 1.00 0.00 C ATOM 164 CG ASN A 16 9.360 -1.972 -5.726 1.00 0.00 C ATOM 165 OD1 ASN A 16 8.865 -1.899 -4.609 1.00 0.00 O ATOM 166 ND2 ASN A 16 8.743 -2.593 -6.699 1.00 0.00 N ATOM 0 H ASN A 16 9.805 0.153 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 16 11.940 0.361 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.090 -1.873 -6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.436 -1.782 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.835 -3.026 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.171 -2.644 -7.624 1.00 0.00 H new ATOM 170 N ALA A 17 9.856 1.963 -7.298 1.00 0.00 N ATOM 171 CA ALA A 17 9.574 2.921 -8.390 1.00 0.00 C ATOM 172 C ALA A 17 8.639 2.452 -9.515 1.00 0.00 C ATOM 173 O ALA A 17 8.600 2.989 -10.620 1.00 0.00 O ATOM 174 CB ALA A 17 10.914 3.458 -8.950 1.00 0.00 C ATOM 0 H ALA A 17 9.702 2.382 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 17 8.989 3.714 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.715 4.165 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.466 3.960 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.507 2.628 -9.334 1.00 0.00 H new ATOM 176 N ASP A 18 7.689 1.637 -9.089 1.00 0.00 N ATOM 177 CA ASP A 18 6.646 1.060 -9.969 1.00 0.00 C ATOM 178 C ASP A 18 5.285 1.784 -9.895 1.00 0.00 C ATOM 179 O ASP A 18 4.320 1.344 -10.507 1.00 0.00 O ATOM 180 CB ASP A 18 6.525 -0.448 -9.688 1.00 0.00 C ATOM 181 CG ASP A 18 6.044 -0.856 -8.289 1.00 0.00 C ATOM 182 OD1 ASP A 18 5.915 0.049 -7.436 1.00 0.00 O ATOM 183 OD2 ASP A 18 5.824 -2.071 -8.085 1.00 0.00 O ATOM 0 H ASP A 18 7.606 1.345 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 18 6.967 1.212 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.841 -0.876 -10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.500 -0.904 -9.858 1.00 0.00 H new ATOM 185 N GLY A 19 5.237 2.883 -9.133 1.00 0.00 N ATOM 186 CA GLY A 19 4.001 3.621 -8.794 1.00 0.00 C ATOM 187 C GLY A 19 2.992 2.752 -8.034 1.00 0.00 C ATOM 188 O GLY A 19 1.792 3.034 -8.055 1.00 0.00 O ATOM 0 H GLY A 19 6.073 3.299 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.255 4.491 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.540 3.992 -9.709 1.00 0.00 H new ATOM 190 N TYR A 20 3.514 1.751 -7.344 1.00 0.00 N ATOM 191 CA TYR A 20 2.731 0.771 -6.569 1.00 0.00 C ATOM 192 C TYR A 20 3.429 0.470 -5.226 1.00 0.00 C ATOM 193 O TYR A 20 4.552 0.890 -4.961 1.00 0.00 O ATOM 194 CB TYR A 20 2.626 -0.563 -7.308 1.00 0.00 C ATOM 195 CG TYR A 20 2.232 -0.539 -8.793 1.00 0.00 C ATOM 196 CD1 TYR A 20 1.083 0.175 -9.220 1.00 0.00 C ATOM 197 CD2 TYR A 20 2.987 -1.311 -9.689 1.00 0.00 C ATOM 198 CE1 TYR A 20 0.723 0.154 -10.586 1.00 0.00 C ATOM 199 CE2 TYR A 20 2.629 -1.347 -11.053 1.00 0.00 C ATOM 200 CZ TYR A 20 1.507 -0.607 -11.478 1.00 0.00 C ATOM 201 OH TYR A 20 1.168 -0.612 -12.796 1.00 0.00 O ATOM 0 H TYR A 20 4.519 1.583 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 20 1.743 1.206 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.590 -1.066 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.899 -1.180 -6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.489 0.729 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.838 -1.875 -9.336 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.134 0.708 -10.939 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.203 -1.930 -11.758 1.00 0.00 H new ATOM 0 HH TYR A 20 1.796 -1.177 -13.293 1.00 0.00 H new ATOM 204 N ILE A 21 2.658 -0.182 -4.372 1.00 0.00 N ATOM 205 CA ILE A 21 3.127 -0.806 -3.122 1.00 0.00 C ATOM 206 C ILE A 21 3.001 -2.334 -3.246 1.00 0.00 C ATOM 207 O ILE A 21 1.962 -2.860 -3.653 1.00 0.00 O ATOM 208 CB ILE A 21 2.410 -0.178 -1.920 1.00 0.00 C ATOM 209 CG1 ILE A 21 3.187 0.995 -1.326 1.00 0.00 C ATOM 210 CG2 ILE A 21 2.039 -1.126 -0.759 1.00 0.00 C ATOM 211 CD1 ILE A 21 3.126 2.291 -2.136 1.00 0.00 C ATOM 0 H ILE A 21 1.656 -0.302 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 21 4.185 -0.610 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 21 1.474 0.147 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.806 1.193 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.231 0.701 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.538 -0.560 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.372 -1.907 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.944 -1.581 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.708 3.063 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.537 2.118 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.090 2.617 -2.223 1.00 0.00 H new ATOM 213 N ASP A 22 4.109 -3.009 -2.971 1.00 0.00 N ATOM 214 CA ASP A 22 4.154 -4.478 -2.804 1.00 0.00 C ATOM 215 C ASP A 22 4.142 -4.898 -1.332 1.00 0.00 C ATOM 216 O ASP A 22 4.217 -4.074 -0.429 1.00 0.00 O ATOM 217 CB ASP A 22 5.323 -5.129 -3.536 1.00 0.00 C ATOM 218 CG ASP A 22 6.522 -4.252 -3.923 1.00 0.00 C ATOM 219 OD1 ASP A 22 7.260 -3.898 -2.981 1.00 0.00 O ATOM 220 OD2 ASP A 22 6.644 -3.957 -5.136 1.00 0.00 O ATOM 0 H ASP A 22 5.017 -2.559 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 22 3.238 -4.845 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.694 -5.942 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.933 -5.580 -4.449 1.00 0.00 H new ATOM 222 N ILE A 23 4.166 -6.209 -1.137 1.00 0.00 N ATOM 223 CA ILE A 23 3.984 -6.837 0.184 1.00 0.00 C ATOM 224 C ILE A 23 4.929 -6.380 1.315 1.00 0.00 C ATOM 225 O ILE A 23 4.474 -6.026 2.394 1.00 0.00 O ATOM 226 CB ILE A 23 3.844 -8.366 0.015 1.00 0.00 C ATOM 227 CG1 ILE A 23 3.132 -8.981 1.221 1.00 0.00 C ATOM 228 CG2 ILE A 23 5.193 -9.053 -0.277 1.00 0.00 C ATOM 229 CD1 ILE A 23 2.344 -10.245 0.845 1.00 0.00 C ATOM 0 H ILE A 23 4.313 -6.880 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 23 3.046 -6.448 0.580 1.00 0.00 H new ATOM 0 HB ILE A 23 3.224 -8.542 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.866 -9.227 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.453 -8.246 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.038 -10.126 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.614 -8.651 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.881 -8.868 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.855 -10.647 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.591 -9.995 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.026 -10.991 0.437 1.00 0.00 H new ATOM 231 N GLU A 24 6.208 -6.192 0.972 1.00 0.00 N ATOM 232 CA GLU A 24 7.225 -5.635 1.896 1.00 0.00 C ATOM 233 C GLU A 24 7.035 -4.162 2.285 1.00 0.00 C ATOM 234 O GLU A 24 7.180 -3.750 3.438 1.00 0.00 O ATOM 235 CB GLU A 24 8.670 -5.885 1.421 1.00 0.00 C ATOM 236 CG GLU A 24 9.059 -5.336 0.042 1.00 0.00 C ATOM 237 CD GLU A 24 8.716 -6.278 -1.107 1.00 0.00 C ATOM 238 OE1 GLU A 24 7.524 -6.305 -1.488 1.00 0.00 O ATOM 239 OE2 GLU A 24 9.629 -6.995 -1.555 1.00 0.00 O ATOM 0 H GLU A 24 6.576 -6.419 0.048 1.00 0.00 H new ATOM 0 HA GLU A 24 7.053 -6.203 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.347 -5.456 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.843 -6.961 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.554 -4.383 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.130 -5.135 0.029 1.00 0.00 H new ATOM 241 N GLU A 25 6.634 -3.413 1.276 1.00 0.00 N ATOM 242 CA GLU A 25 6.242 -2.003 1.321 1.00 0.00 C ATOM 243 C GLU A 25 4.967 -1.786 2.155 1.00 0.00 C ATOM 244 O GLU A 25 4.933 -0.921 3.037 1.00 0.00 O ATOM 245 CB GLU A 25 6.059 -1.556 -0.124 1.00 0.00 C ATOM 246 CG GLU A 25 7.416 -1.458 -0.830 1.00 0.00 C ATOM 247 CD GLU A 25 7.331 -0.900 -2.244 1.00 0.00 C ATOM 248 OE1 GLU A 25 6.373 -1.258 -2.959 1.00 0.00 O ATOM 249 OE2 GLU A 25 8.287 -0.178 -2.616 1.00 0.00 O ATOM 0 H GLU A 25 6.566 -3.794 0.332 1.00 0.00 H new ATOM 0 HA GLU A 25 7.010 -1.407 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.418 -2.263 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.557 -0.589 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.079 -0.826 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.869 -2.449 -0.866 1.00 0.00 H new ATOM 251 N LEU A 26 3.984 -2.674 1.956 1.00 0.00 N ATOM 252 CA LEU A 26 2.791 -2.780 2.822 1.00 0.00 C ATOM 253 C LEU A 26 3.181 -3.141 4.262 1.00 0.00 C ATOM 254 O LEU A 26 2.741 -2.478 5.198 1.00 0.00 O ATOM 255 CB LEU A 26 1.843 -3.832 2.238 1.00 0.00 C ATOM 256 CG LEU A 26 0.437 -3.665 2.813 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.454 -2.910 1.831 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.174 -5.028 3.136 1.00 0.00 C ATOM 0 H LEU A 26 3.989 -3.345 1.187 1.00 0.00 H new ATOM 0 HA LEU A 26 2.288 -1.814 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.812 -3.739 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.217 -4.831 2.461 1.00 0.00 H new ATOM 0 HG LEU A 26 0.510 -3.088 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.452 -2.800 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.030 -1.924 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.517 -3.466 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.175 -4.890 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.232 -5.625 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.449 -5.542 3.868 1.00 0.00 H new ATOM 260 N GLY A 27 4.077 -4.120 4.397 1.00 0.00 N ATOM 261 CA GLY A 27 4.743 -4.508 5.652 1.00 0.00 C ATOM 262 C GLY A 27 5.288 -3.295 6.426 1.00 0.00 C ATOM 263 O GLY A 27 4.912 -3.101 7.574 1.00 0.00 O ATOM 0 H GLY A 27 4.374 -4.691 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.038 -5.050 6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.562 -5.191 5.429 1.00 0.00 H new ATOM 265 N GLU A 28 6.038 -2.432 5.728 1.00 0.00 N ATOM 266 CA GLU A 28 6.526 -1.141 6.270 1.00 0.00 C ATOM 267 C GLU A 28 5.391 -0.280 6.858 1.00 0.00 C ATOM 268 O GLU A 28 5.450 0.072 8.030 1.00 0.00 O ATOM 269 CB GLU A 28 7.282 -0.383 5.177 1.00 0.00 C ATOM 270 CG GLU A 28 7.851 0.950 5.668 1.00 0.00 C ATOM 271 CD GLU A 28 8.541 1.740 4.559 1.00 0.00 C ATOM 272 OE1 GLU A 28 7.809 2.407 3.786 1.00 0.00 O ATOM 273 OE2 GLU A 28 9.789 1.674 4.527 1.00 0.00 O ATOM 0 H GLU A 28 6.329 -2.604 4.766 1.00 0.00 H new ATOM 0 HA GLU A 28 7.202 -1.358 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.096 -1.006 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.611 -0.200 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.045 1.551 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.563 0.763 6.472 1.00 0.00 H new ATOM 275 N ILE A 29 4.335 -0.054 6.081 1.00 0.00 N ATOM 276 CA ILE A 29 3.162 0.773 6.491 1.00 0.00 C ATOM 277 C ILE A 29 2.539 0.178 7.766 1.00 0.00 C ATOM 278 O ILE A 29 2.292 0.881 8.748 1.00 0.00 O ATOM 279 CB ILE A 29 2.114 0.895 5.389 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.717 1.201 4.012 1.00 0.00 C ATOM 281 CG2 ILE A 29 1.095 1.988 5.736 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.791 0.857 2.837 1.00 0.00 C ATOM 0 H ILE A 29 4.251 -0.435 5.138 1.00 0.00 H new ATOM 0 HA ILE A 29 3.521 1.783 6.689 1.00 0.00 H new ATOM 0 HB ILE A 29 1.627 -0.079 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.970 2.260 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.648 0.645 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.355 2.062 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.597 1.737 6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.609 2.943 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.288 1.102 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.558 -0.208 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.869 1.432 2.920 1.00 0.00 H new ATOM 284 N LEU A 30 2.284 -1.130 7.711 1.00 0.00 N ATOM 285 CA LEU A 30 1.660 -1.931 8.773 1.00 0.00 C ATOM 286 C LEU A 30 2.540 -2.263 9.997 1.00 0.00 C ATOM 287 O LEU A 30 2.067 -2.898 10.947 1.00 0.00 O ATOM 288 CB LEU A 30 1.157 -3.256 8.156 1.00 0.00 C ATOM 289 CG LEU A 30 -0.245 -3.207 7.513 1.00 0.00 C ATOM 290 CD1 LEU A 30 -1.332 -2.959 8.562 1.00 0.00 C ATOM 291 CD2 LEU A 30 -0.363 -2.222 6.339 1.00 0.00 C ATOM 0 H LEU A 30 2.516 -1.688 6.889 1.00 0.00 H new ATOM 0 HA LEU A 30 0.861 -1.302 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.872 -3.577 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.153 -4.019 8.934 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.401 -4.195 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.307 -2.930 8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.317 -3.763 9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.147 -2.007 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.378 -2.248 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.134 -1.214 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.339 -2.505 5.555 1.00 0.00 H new ATOM 293 N ARG A 31 3.800 -1.868 9.960 1.00 0.00 N ATOM 294 CA ARG A 31 4.812 -2.289 10.947 1.00 0.00 C ATOM 295 C ARG A 31 4.692 -1.643 12.323 1.00 0.00 C ATOM 296 O ARG A 31 5.012 -0.465 12.540 1.00 0.00 O ATOM 297 CB ARG A 31 6.235 -2.172 10.386 1.00 0.00 C ATOM 298 CG ARG A 31 7.305 -2.945 11.193 1.00 0.00 C ATOM 299 CD ARG A 31 7.076 -4.459 11.247 1.00 0.00 C ATOM 300 NE ARG A 31 6.343 -4.845 12.476 1.00 0.00 N ATOM 301 CZ ARG A 31 5.163 -5.462 12.554 1.00 0.00 C ATOM 302 NH1 ARG A 31 4.381 -5.650 11.490 1.00 0.00 N ATOM 303 NH2 ARG A 31 4.659 -5.771 13.735 1.00 0.00 N ATOM 0 H ARG A 31 4.165 -1.241 9.243 1.00 0.00 H new ATOM 0 HA ARG A 31 4.594 -3.342 11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.239 -2.536 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.514 -1.119 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.284 -2.752 10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.329 -2.555 12.211 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.513 -4.776 10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.035 -4.976 11.214 1.00 0.00 H new ATOM 0 HE ARG A 31 6.792 -4.613 13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.679 -5.317 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.485 -6.127 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.172 -5.538 14.585 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.757 -6.243 13.797 1.00 0.00 H new ATOM 310 N ALA A 32 4.275 -2.487 13.264 1.00 0.00 N ATOM 311 CA ALA A 32 4.233 -2.140 14.693 1.00 0.00 C ATOM 312 C ALA A 32 5.637 -2.162 15.320 1.00 0.00 C ATOM 313 O ALA A 32 6.153 -3.194 15.760 1.00 0.00 O ATOM 314 CB ALA A 32 3.268 -3.068 15.453 1.00 0.00 C ATOM 0 H ALA A 32 3.955 -3.434 13.062 1.00 0.00 H new ATOM 0 HA ALA A 32 3.857 -1.120 14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.253 -2.793 16.508 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.265 -2.968 15.038 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.601 -4.101 15.352 1.00 0.00 H new ATOM 316 N THR A 33 6.328 -1.056 15.102 1.00 0.00 N ATOM 317 CA THR A 33 7.658 -0.790 15.695 1.00 0.00 C ATOM 318 C THR A 33 7.501 -0.305 17.150 1.00 0.00 C ATOM 319 O THR A 33 7.509 0.882 17.442 1.00 0.00 O ATOM 320 CB THR A 33 8.443 0.242 14.871 1.00 0.00 C ATOM 321 OG1 THR A 33 7.647 1.421 14.723 1.00 0.00 O ATOM 322 CG2 THR A 33 8.892 -0.313 13.513 1.00 0.00 C ATOM 0 H THR A 33 5.991 -0.301 14.505 1.00 0.00 H new ATOM 0 HA THR A 33 8.223 -1.722 15.687 1.00 0.00 H new ATOM 0 HB THR A 33 9.360 0.489 15.406 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.293 1.688 15.597 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.442 0.455 12.970 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.536 -1.179 13.669 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.017 -0.610 12.934 1.00 0.00 H new ATOM 325 N GLY A 34 7.202 -1.296 17.988 1.00 0.00 N ATOM 326 CA GLY A 34 6.897 -1.093 19.424 1.00 0.00 C ATOM 327 C GLY A 34 5.433 -0.698 19.626 1.00 0.00 C ATOM 328 O GLY A 34 4.520 -1.160 18.953 1.00 0.00 O ATOM 0 H GLY A 34 7.161 -2.273 17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.110 -2.008 19.977 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.546 -0.317 19.830 1.00 0.00 H new HETATM 330 N NH2 A 35 5.176 0.166 20.587 1.00 0.00 N TER 333 NH2 A 35 HETATM 334 C ACE B 0 -4.794 -22.516 2.573 1.00 0.00 C HETATM 335 O ACE B 0 -4.393 -23.584 2.963 1.00 0.00 O HETATM 336 CH3 ACE B 0 -6.267 -22.202 2.301 1.00 0.00 C HETATM 0 H1 ACE B 0 -6.587 -21.379 2.939 1.00 0.00 H new HETATM 0 H2 ACE B 0 -6.392 -21.920 1.255 1.00 0.00 H new HETATM 0 H3 ACE B 0 -6.872 -23.083 2.514 1.00 0.00 H new ATOM 337 N LYS B 1 -3.920 -21.605 2.254 1.00 0.00 N ATOM 338 CA LYS B 1 -2.480 -21.359 2.074 1.00 0.00 C ATOM 339 C LYS B 1 -1.780 -21.217 3.447 1.00 0.00 C ATOM 340 O LYS B 1 -2.188 -20.412 4.272 1.00 0.00 O ATOM 341 CB LYS B 1 -2.331 -20.099 1.207 1.00 0.00 C ATOM 342 CG LYS B 1 -0.936 -19.951 0.569 1.00 0.00 C ATOM 343 CD LYS B 1 0.055 -19.214 1.471 1.00 0.00 C ATOM 344 CE LYS B 1 1.493 -19.367 0.971 1.00 0.00 C ATOM 345 NZ LYS B 1 2.396 -18.656 1.882 1.00 0.00 N ATOM 0 H LYS B 1 -4.351 -20.706 2.040 1.00 0.00 H new ATOM 0 HA LYS B 1 -1.997 -22.198 1.573 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -3.082 -20.120 0.417 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -2.537 -19.221 1.819 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -0.542 -20.940 0.336 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -1.029 -19.414 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -0.206 -18.157 1.512 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -0.020 -19.600 2.487 1.00 0.00 H new ATOM 0 HE2 LYS B 1 1.763 -20.422 0.921 1.00 0.00 H new ATOM 0 HE3 LYS B 1 1.585 -18.966 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 3.358 -18.655 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 2.069 -17.676 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 2.403 -19.133 2.806 1.00 0.00 H new ATOM 350 N SER B 2 -0.607 -21.848 3.530 1.00 0.00 N ATOM 351 CA SER B 2 0.210 -21.987 4.762 1.00 0.00 C ATOM 352 C SER B 2 0.430 -20.688 5.555 1.00 0.00 C ATOM 353 O SER B 2 0.575 -20.728 6.780 1.00 0.00 O ATOM 354 CB SER B 2 1.577 -22.578 4.411 1.00 0.00 C ATOM 355 OG SER B 2 2.189 -21.797 3.383 1.00 0.00 O ATOM 0 H SER B 2 -0.175 -22.295 2.721 1.00 0.00 H new ATOM 0 HA SER B 2 -0.369 -22.645 5.410 1.00 0.00 H new ATOM 0 HB2 SER B 2 2.214 -22.596 5.295 1.00 0.00 H new ATOM 0 HB3 SER B 2 1.463 -23.610 4.078 1.00 0.00 H new ATOM 0 HG SER B 2 3.065 -22.177 3.161 1.00 0.00 H new ATOM 358 N GLU B 3 0.599 -19.586 4.838 1.00 0.00 N ATOM 359 CA GLU B 3 0.590 -18.236 5.424 1.00 0.00 C ATOM 360 C GLU B 3 -0.404 -17.322 4.682 1.00 0.00 C ATOM 361 O GLU B 3 -0.084 -16.717 3.665 1.00 0.00 O ATOM 362 CB GLU B 3 2.005 -17.645 5.453 1.00 0.00 C ATOM 363 CG GLU B 3 2.500 -17.459 6.894 1.00 0.00 C ATOM 364 CD GLU B 3 1.817 -16.294 7.629 1.00 0.00 C ATOM 365 OE1 GLU B 3 0.665 -16.493 8.092 1.00 0.00 O ATOM 366 OE2 GLU B 3 2.466 -15.245 7.761 1.00 0.00 O ATOM 0 H GLU B 3 0.747 -19.594 3.829 1.00 0.00 H new ATOM 0 HA GLU B 3 0.250 -18.309 6.457 1.00 0.00 H new ATOM 0 HB2 GLU B 3 2.687 -18.302 4.913 1.00 0.00 H new ATOM 0 HB3 GLU B 3 2.012 -16.685 4.937 1.00 0.00 H new ATOM 0 HG2 GLU B 3 2.329 -18.380 7.451 1.00 0.00 H new ATOM 0 HG3 GLU B 3 3.577 -17.290 6.881 1.00 0.00 H new ATOM 368 N GLU B 4 -1.645 -17.358 5.173 1.00 0.00 N ATOM 369 CA GLU B 4 -2.706 -16.417 4.725 1.00 0.00 C ATOM 370 C GLU B 4 -2.260 -14.943 4.802 1.00 0.00 C ATOM 371 O GLU B 4 -2.781 -14.121 4.061 1.00 0.00 O ATOM 372 CB GLU B 4 -4.010 -16.577 5.513 1.00 0.00 C ATOM 373 CG GLU B 4 -4.892 -17.748 5.058 1.00 0.00 C ATOM 374 CD GLU B 4 -4.449 -19.160 5.479 1.00 0.00 C ATOM 375 OE1 GLU B 4 -3.644 -19.247 6.438 1.00 0.00 O ATOM 376 OE2 GLU B 4 -4.968 -20.106 4.857 1.00 0.00 O ATOM 0 H GLU B 4 -1.952 -18.024 5.882 1.00 0.00 H new ATOM 0 HA GLU B 4 -2.888 -16.680 3.683 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -3.768 -16.710 6.567 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -4.584 -15.654 5.432 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.900 -17.581 5.439 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.954 -17.723 3.970 1.00 0.00 H new ATOM 378 N GLU B 5 -1.507 -14.638 5.855 1.00 0.00 N ATOM 379 CA GLU B 5 -0.787 -13.365 6.029 1.00 0.00 C ATOM 380 C GLU B 5 0.606 -13.389 5.346 1.00 0.00 C ATOM 381 O GLU B 5 1.250 -14.433 5.300 1.00 0.00 O ATOM 382 CB GLU B 5 -0.609 -13.030 7.519 1.00 0.00 C ATOM 383 CG GLU B 5 -1.933 -12.949 8.300 1.00 0.00 C ATOM 384 CD GLU B 5 -2.972 -12.013 7.676 1.00 0.00 C ATOM 385 OE1 GLU B 5 -2.812 -10.782 7.855 1.00 0.00 O ATOM 386 OE2 GLU B 5 -3.939 -12.562 7.115 1.00 0.00 O ATOM 0 H GLU B 5 -1.373 -15.281 6.635 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.396 -12.597 5.552 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.027 -13.786 7.978 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -0.087 -12.077 7.608 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.360 -13.949 8.375 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -1.723 -12.615 9.316 1.00 0.00 H new ATOM 388 N LEU B 6 1.068 -12.289 4.745 1.00 0.00 N ATOM 389 CA LEU B 6 0.323 -11.036 4.500 1.00 0.00 C ATOM 390 C LEU B 6 -0.535 -10.980 3.223 1.00 0.00 C ATOM 391 O LEU B 6 -1.116 -9.940 2.925 1.00 0.00 O ATOM 392 CB LEU B 6 1.253 -9.813 4.546 1.00 0.00 C ATOM 393 CG LEU B 6 1.692 -9.444 5.958 1.00 0.00 C ATOM 394 CD1 LEU B 6 2.821 -8.410 5.887 1.00 0.00 C ATOM 395 CD2 LEU B 6 0.523 -8.911 6.790 1.00 0.00 C ATOM 0 H LEU B 6 2.024 -12.239 4.394 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.393 -11.016 5.322 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.136 -10.013 3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.744 -8.961 4.097 1.00 0.00 H new ATOM 0 HG LEU B 6 2.055 -10.344 6.453 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.136 -8.145 6.896 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.666 -8.831 5.342 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.465 -7.518 5.372 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.874 -8.658 7.791 1.00 0.00 H new ATOM 0 HD22 LEU B 6 0.113 -8.020 6.313 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.252 -9.674 6.859 1.00 0.00 H new ATOM 397 N ALA B 7 -0.737 -12.136 2.578 1.00 0.00 N ATOM 398 CA ALA B 7 -1.504 -12.273 1.330 1.00 0.00 C ATOM 399 C ALA B 7 -2.863 -11.563 1.406 1.00 0.00 C ATOM 400 O ALA B 7 -3.169 -10.705 0.590 1.00 0.00 O ATOM 401 CB ALA B 7 -1.681 -13.754 0.947 1.00 0.00 C ATOM 0 H ALA B 7 -0.364 -13.023 2.916 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.926 -11.783 0.547 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.251 -13.825 0.021 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.702 -14.213 0.806 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.215 -14.274 1.742 1.00 0.00 H new ATOM 403 N ASN B 8 -3.677 -11.939 2.389 1.00 0.00 N ATOM 404 CA ASN B 8 -4.622 -11.035 3.053 1.00 0.00 C ATOM 405 C ASN B 8 -3.840 -10.323 4.165 1.00 0.00 C ATOM 406 O ASN B 8 -3.026 -10.938 4.855 1.00 0.00 O ATOM 407 CB ASN B 8 -5.658 -11.812 3.834 1.00 0.00 C ATOM 408 CG ASN B 8 -6.331 -12.938 3.035 1.00 0.00 C ATOM 409 OD1 ASN B 8 -7.342 -12.771 2.383 1.00 0.00 O ATOM 410 ND2 ASN B 8 -5.746 -14.119 3.057 1.00 0.00 N ATOM 0 H ASN B 8 -3.702 -12.891 2.754 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.073 -10.394 2.295 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -5.185 -12.241 4.718 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -6.425 -11.122 4.186 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -6.142 -14.894 2.526 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -4.897 -14.257 3.605 1.00 0.00 H new ATOM 414 N ALA B 9 -4.179 -9.098 4.523 1.00 0.00 N ATOM 415 CA ALA B 9 -5.067 -8.149 3.827 1.00 0.00 C ATOM 416 C ALA B 9 -4.562 -7.465 2.532 1.00 0.00 C ATOM 417 O ALA B 9 -5.363 -6.809 1.868 1.00 0.00 O ATOM 418 CB ALA B 9 -5.491 -7.078 4.848 1.00 0.00 C ATOM 0 H ALA B 9 -3.813 -8.693 5.385 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.883 -8.766 3.452 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -6.151 -6.357 4.366 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -6.016 -7.553 5.677 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.607 -6.565 5.225 1.00 0.00 H new ATOM 420 N PHE B 10 -3.372 -7.837 2.057 1.00 0.00 N ATOM 421 CA PHE B 10 -2.747 -7.257 0.837 1.00 0.00 C ATOM 422 C PHE B 10 -3.698 -7.241 -0.362 1.00 0.00 C ATOM 423 O PHE B 10 -4.201 -6.198 -0.789 1.00 0.00 O ATOM 424 CB PHE B 10 -1.503 -8.081 0.491 1.00 0.00 C ATOM 425 CG PHE B 10 -0.589 -7.449 -0.578 1.00 0.00 C ATOM 426 CD1 PHE B 10 0.033 -6.204 -0.346 1.00 0.00 C ATOM 427 CD2 PHE B 10 -0.477 -8.116 -1.825 1.00 0.00 C ATOM 428 CE1 PHE B 10 0.766 -5.603 -1.394 1.00 0.00 C ATOM 429 CE2 PHE B 10 0.272 -7.518 -2.858 1.00 0.00 C ATOM 430 CZ PHE B 10 0.883 -6.261 -2.631 1.00 0.00 C ATOM 0 H PHE B 10 -2.799 -8.554 2.502 1.00 0.00 H new ATOM 0 HA PHE B 10 -2.488 -6.220 1.051 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -0.922 -8.236 1.400 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -1.820 -9.064 0.143 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -0.050 -5.719 0.615 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -0.959 -9.070 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE B 10 1.235 -4.641 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE B 10 0.379 -8.013 -3.812 1.00 0.00 H new ATOM 0 HZ PHE B 10 1.451 -5.798 -3.425 1.00 0.00 H new ATOM 432 N ARG B 11 -4.201 -8.446 -0.581 1.00 0.00 N ATOM 433 CA ARG B 11 -5.115 -8.827 -1.663 1.00 0.00 C ATOM 434 C ARG B 11 -6.493 -8.157 -1.601 1.00 0.00 C ATOM 435 O ARG B 11 -6.992 -7.658 -2.602 1.00 0.00 O ATOM 436 CB ARG B 11 -5.252 -10.349 -1.715 1.00 0.00 C ATOM 437 CG ARG B 11 -5.015 -10.875 -3.132 1.00 0.00 C ATOM 438 CD ARG B 11 -6.173 -10.497 -4.072 1.00 0.00 C ATOM 439 NE ARG B 11 -5.849 -10.809 -5.477 1.00 0.00 N ATOM 440 CZ ARG B 11 -6.463 -10.268 -6.539 1.00 0.00 C ATOM 441 NH1 ARG B 11 -7.387 -9.319 -6.420 1.00 0.00 N ATOM 442 NH2 ARG B 11 -6.266 -10.789 -7.741 1.00 0.00 N ATOM 0 H ARG B 11 -3.973 -9.235 0.024 1.00 0.00 H new ATOM 0 HA ARG B 11 -4.663 -8.457 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -4.537 -10.805 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.247 -10.639 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.081 -10.469 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.905 -11.959 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -7.074 -11.035 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.390 -9.433 -3.975 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.105 -11.484 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.651 -8.978 -5.496 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.831 -8.933 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -5.651 -11.595 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -6.729 -10.384 -8.555 1.00 0.00 H new ATOM 449 N ILE B 12 -6.906 -7.894 -0.374 1.00 0.00 N ATOM 450 CA ILE B 12 -8.218 -7.302 -0.075 1.00 0.00 C ATOM 451 C ILE B 12 -8.303 -5.823 -0.533 1.00 0.00 C ATOM 452 O ILE B 12 -9.294 -5.353 -1.085 1.00 0.00 O ATOM 453 CB ILE B 12 -8.731 -7.489 1.350 1.00 0.00 C ATOM 454 CG1 ILE B 12 -8.612 -8.956 1.800 1.00 0.00 C ATOM 455 CG2 ILE B 12 -10.209 -7.054 1.490 1.00 0.00 C ATOM 456 CD1 ILE B 12 -8.734 -9.179 3.311 1.00 0.00 C ATOM 0 H ILE B 12 -6.344 -8.083 0.456 1.00 0.00 H new ATOM 0 HA ILE B 12 -8.910 -7.893 -0.675 1.00 0.00 H new ATOM 0 HB ILE B 12 -8.108 -6.857 1.983 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -9.384 -9.539 1.298 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -7.651 -9.346 1.466 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -10.536 -7.203 2.519 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -10.305 -6.000 1.228 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.829 -7.652 0.822 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -8.637 -10.242 3.531 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -7.945 -8.629 3.825 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -9.706 -8.824 3.654 1.00 0.00 H new ATOM 458 N PHE B 13 -7.179 -5.155 -0.305 1.00 0.00 N ATOM 459 CA PHE B 13 -6.878 -3.804 -0.776 1.00 0.00 C ATOM 460 C PHE B 13 -6.562 -3.747 -2.275 1.00 0.00 C ATOM 461 O PHE B 13 -6.985 -2.834 -2.977 1.00 0.00 O ATOM 462 CB PHE B 13 -5.681 -3.320 0.048 1.00 0.00 C ATOM 463 CG PHE B 13 -6.039 -2.994 1.498 1.00 0.00 C ATOM 464 CD1 PHE B 13 -7.094 -2.093 1.786 1.00 0.00 C ATOM 465 CD2 PHE B 13 -5.382 -3.696 2.535 1.00 0.00 C ATOM 466 CE1 PHE B 13 -7.517 -1.918 3.123 1.00 0.00 C ATOM 467 CE2 PHE B 13 -5.805 -3.522 3.872 1.00 0.00 C ATOM 468 CZ PHE B 13 -6.866 -2.630 4.150 1.00 0.00 C ATOM 0 H PHE B 13 -6.415 -5.557 0.238 1.00 0.00 H new ATOM 0 HA PHE B 13 -7.752 -3.166 -0.644 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -4.906 -4.087 0.036 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -5.259 -2.432 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.572 -1.543 0.989 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.562 -4.361 2.307 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -8.330 -1.246 3.355 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.323 -4.064 4.672 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.185 -2.491 5.173 1.00 0.00 H new ATOM 470 N ASP B 14 -5.817 -4.756 -2.743 1.00 0.00 N ATOM 471 CA ASP B 14 -5.406 -5.032 -4.135 1.00 0.00 C ATOM 472 C ASP B 14 -6.565 -5.486 -5.059 1.00 0.00 C ATOM 473 O ASP B 14 -6.425 -6.342 -5.933 1.00 0.00 O ATOM 474 CB ASP B 14 -4.271 -6.056 -4.045 1.00 0.00 C ATOM 475 CG ASP B 14 -3.745 -6.706 -5.331 1.00 0.00 C ATOM 476 OD1 ASP B 14 -3.761 -6.069 -6.408 1.00 0.00 O ATOM 477 OD2 ASP B 14 -3.276 -7.862 -5.208 1.00 0.00 O ATOM 0 H ASP B 14 -5.452 -5.464 -2.106 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.069 -4.113 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.428 -5.569 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.604 -6.857 -3.385 1.00 0.00 H new ATOM 479 N LYS B 15 -7.641 -4.720 -4.967 1.00 0.00 N ATOM 480 CA LYS B 15 -8.869 -4.847 -5.778 1.00 0.00 C ATOM 481 C LYS B 15 -8.611 -5.030 -7.290 1.00 0.00 C ATOM 482 O LYS B 15 -9.146 -5.968 -7.882 1.00 0.00 O ATOM 483 CB LYS B 15 -9.778 -3.646 -5.551 1.00 0.00 C ATOM 484 CG LYS B 15 -10.488 -3.777 -4.209 1.00 0.00 C ATOM 485 CD LYS B 15 -11.368 -2.543 -3.986 1.00 0.00 C ATOM 486 CE LYS B 15 -12.226 -2.654 -2.720 1.00 0.00 C ATOM 487 NZ LYS B 15 -11.376 -2.778 -1.521 1.00 0.00 N ATOM 0 H LYS B 15 -7.697 -3.953 -4.297 1.00 0.00 H new ATOM 0 HA LYS B 15 -9.355 -5.762 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -9.193 -2.727 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -10.511 -3.577 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -11.097 -4.681 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -9.758 -3.869 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -10.736 -1.658 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -12.018 -2.403 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -12.864 -1.775 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -12.884 -3.520 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -11.973 -2.767 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.847 -3.673 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.707 -1.982 -1.486 1.00 0.00 H new ATOM 492 N ASN B 16 -7.735 -4.215 -7.874 1.00 0.00 N ATOM 493 CA ASN B 16 -7.412 -4.286 -9.309 1.00 0.00 C ATOM 494 C ASN B 16 -6.375 -5.350 -9.735 1.00 0.00 C ATOM 495 O ASN B 16 -5.541 -5.117 -10.623 1.00 0.00 O ATOM 496 CB ASN B 16 -7.097 -2.862 -9.793 1.00 0.00 C ATOM 497 CG ASN B 16 -5.910 -2.181 -9.110 1.00 0.00 C ATOM 498 OD1 ASN B 16 -6.042 -1.530 -8.088 1.00 0.00 O ATOM 499 ND2 ASN B 16 -4.734 -2.349 -9.665 1.00 0.00 N ATOM 0 H ASN B 16 -7.227 -3.486 -7.373 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.293 -4.670 -9.824 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.906 -2.896 -10.866 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.982 -2.243 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -3.906 -1.931 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -4.647 -2.898 -10.520 1.00 0.00 H new ATOM 503 N ALA B 17 -6.310 -6.433 -8.952 1.00 0.00 N ATOM 504 CA ALA B 17 -5.804 -7.767 -9.338 1.00 0.00 C ATOM 505 C ALA B 17 -4.411 -7.853 -9.994 1.00 0.00 C ATOM 506 O ALA B 17 -4.066 -8.808 -10.684 1.00 0.00 O ATOM 507 CB ALA B 17 -6.881 -8.467 -10.188 1.00 0.00 C ATOM 0 H ALA B 17 -6.623 -6.408 -7.982 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.622 -8.283 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.526 -9.454 -10.483 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -7.796 -8.570 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -7.084 -7.873 -11.079 1.00 0.00 H new ATOM 509 N ASP B 18 -3.552 -6.955 -9.518 1.00 0.00 N ATOM 510 CA ASP B 18 -2.178 -6.824 -10.024 1.00 0.00 C ATOM 511 C ASP B 18 -1.063 -7.316 -9.089 1.00 0.00 C ATOM 512 O ASP B 18 0.107 -7.267 -9.449 1.00 0.00 O ATOM 513 CB ASP B 18 -1.953 -5.355 -10.450 1.00 0.00 C ATOM 514 CG ASP B 18 -2.026 -4.278 -9.372 1.00 0.00 C ATOM 515 OD1 ASP B 18 -2.468 -4.607 -8.248 1.00 0.00 O ATOM 516 OD2 ASP B 18 -1.685 -3.126 -9.697 1.00 0.00 O ATOM 0 H ASP B 18 -3.783 -6.297 -8.773 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.099 -7.502 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.972 -5.290 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.691 -5.112 -11.215 1.00 0.00 H new ATOM 518 N GLY B 19 -1.450 -7.788 -7.900 1.00 0.00 N ATOM 519 CA GLY B 19 -0.515 -8.113 -6.807 1.00 0.00 C ATOM 520 C GLY B 19 0.200 -6.875 -6.253 1.00 0.00 C ATOM 521 O GLY B 19 1.325 -6.960 -5.771 1.00 0.00 O ATOM 0 H GLY B 19 -2.427 -7.958 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.061 -8.603 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY B 19 0.227 -8.825 -7.169 1.00 0.00 H new ATOM 523 N TYR B 20 -0.480 -5.730 -6.346 1.00 0.00 N ATOM 524 CA TYR B 20 0.027 -4.423 -5.881 1.00 0.00 C ATOM 525 C TYR B 20 -1.098 -3.585 -5.257 1.00 0.00 C ATOM 526 O TYR B 20 -2.279 -3.931 -5.319 1.00 0.00 O ATOM 527 CB TYR B 20 0.582 -3.609 -7.045 1.00 0.00 C ATOM 528 CG TYR B 20 1.587 -4.298 -7.966 1.00 0.00 C ATOM 529 CD1 TYR B 20 2.840 -4.691 -7.440 1.00 0.00 C ATOM 530 CD2 TYR B 20 1.297 -4.440 -9.339 1.00 0.00 C ATOM 531 CE1 TYR B 20 3.804 -5.263 -8.293 1.00 0.00 C ATOM 532 CE2 TYR B 20 2.256 -5.021 -10.201 1.00 0.00 C ATOM 533 CZ TYR B 20 3.496 -5.429 -9.665 1.00 0.00 C ATOM 534 OH TYR B 20 4.404 -6.013 -10.487 1.00 0.00 O ATOM 0 H TYR B 20 -1.414 -5.677 -6.752 1.00 0.00 H new ATOM 0 HA TYR B 20 0.805 -4.636 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -0.258 -3.274 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR B 20 1.056 -2.716 -6.637 1.00 0.00 H new ATOM 0 HD1 TYR B 20 3.056 -4.553 -6.391 1.00 0.00 H new ATOM 0 HD2 TYR B 20 0.347 -4.107 -9.730 1.00 0.00 H new ATOM 0 HE1 TYR B 20 4.764 -5.571 -7.906 1.00 0.00 H new ATOM 0 HE2 TYR B 20 2.043 -5.150 -11.252 1.00 0.00 H new ATOM 0 HH TYR B 20 4.042 -6.055 -11.397 1.00 0.00 H new ATOM 537 N ILE B 21 -0.683 -2.513 -4.603 1.00 0.00 N ATOM 538 CA ILE B 21 -1.553 -1.429 -4.087 1.00 0.00 C ATOM 539 C ILE B 21 -1.205 -0.098 -4.784 1.00 0.00 C ATOM 540 O ILE B 21 -0.047 0.302 -4.843 1.00 0.00 O ATOM 541 CB ILE B 21 -1.559 -1.388 -2.554 1.00 0.00 C ATOM 542 CG1 ILE B 21 -2.624 -2.315 -1.971 1.00 0.00 C ATOM 543 CG2 ILE B 21 -1.749 -0.012 -1.896 1.00 0.00 C ATOM 544 CD1 ILE B 21 -2.202 -3.780 -1.906 1.00 0.00 C ATOM 0 H ILE B 21 0.304 -2.352 -4.401 1.00 0.00 H new ATOM 0 HA ILE B 21 -2.593 -1.633 -4.344 1.00 0.00 H new ATOM 0 HB ILE B 21 -0.545 -1.713 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -2.877 -1.975 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -3.530 -2.235 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -1.734 -0.122 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -0.942 0.653 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -2.705 0.410 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -3.012 -4.373 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -1.978 -4.139 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -1.315 -3.876 -1.280 1.00 0.00 H new ATOM 546 N ASP B 22 -2.254 0.543 -5.279 1.00 0.00 N ATOM 547 CA ASP B 22 -2.202 1.906 -5.846 1.00 0.00 C ATOM 548 C ASP B 22 -2.726 2.982 -4.902 1.00 0.00 C ATOM 549 O ASP B 22 -3.298 2.698 -3.854 1.00 0.00 O ATOM 550 CB ASP B 22 -2.894 1.996 -7.213 1.00 0.00 C ATOM 551 CG ASP B 22 -3.897 0.887 -7.547 1.00 0.00 C ATOM 552 OD1 ASP B 22 -5.048 1.053 -7.097 1.00 0.00 O ATOM 553 OD2 ASP B 22 -3.472 -0.090 -8.208 1.00 0.00 O ATOM 0 H ASP B 22 -3.188 0.133 -5.304 1.00 0.00 H new ATOM 0 HA ASP B 22 -1.141 2.108 -5.990 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -3.412 2.953 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -2.124 2.004 -7.985 1.00 0.00 H new ATOM 555 N ILE B 23 -2.619 4.212 -5.383 1.00 0.00 N ATOM 556 CA ILE B 23 -2.962 5.436 -4.614 1.00 0.00 C ATOM 557 C ILE B 23 -4.322 5.433 -3.892 1.00 0.00 C ATOM 558 O ILE B 23 -4.360 5.618 -2.676 1.00 0.00 O ATOM 559 CB ILE B 23 -2.694 6.700 -5.475 1.00 0.00 C ATOM 560 CG1 ILE B 23 -2.863 7.995 -4.678 1.00 0.00 C ATOM 561 CG2 ILE B 23 -3.536 6.743 -6.759 1.00 0.00 C ATOM 562 CD1 ILE B 23 -1.761 8.217 -3.650 1.00 0.00 C ATOM 0 H ILE B 23 -2.289 4.408 -6.328 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.284 5.453 -3.761 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.649 6.624 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.882 8.838 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -3.827 7.977 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.303 7.650 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.309 5.871 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.595 6.738 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -1.941 9.152 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.756 7.392 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -0.796 8.266 -4.155 1.00 0.00 H new ATOM 564 N GLU B 24 -5.379 5.062 -4.604 1.00 0.00 N ATOM 565 CA GLU B 24 -6.731 5.009 -4.006 1.00 0.00 C ATOM 566 C GLU B 24 -6.916 3.927 -2.932 1.00 0.00 C ATOM 567 O GLU B 24 -7.464 4.159 -1.865 1.00 0.00 O ATOM 568 CB GLU B 24 -7.812 4.911 -5.110 1.00 0.00 C ATOM 569 CG GLU B 24 -9.218 5.238 -4.583 1.00 0.00 C ATOM 570 CD GLU B 24 -9.333 6.650 -4.009 1.00 0.00 C ATOM 571 OE1 GLU B 24 -9.177 7.604 -4.809 1.00 0.00 O ATOM 572 OE2 GLU B 24 -9.526 6.743 -2.781 1.00 0.00 O ATOM 0 H GLU B 24 -5.340 4.794 -5.587 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.853 5.950 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.563 5.595 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.809 3.905 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.938 5.122 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -9.487 4.516 -3.812 1.00 0.00 H new ATOM 574 N GLU B 25 -6.332 2.790 -3.256 1.00 0.00 N ATOM 575 CA GLU B 25 -6.164 1.617 -2.390 1.00 0.00 C ATOM 576 C GLU B 25 -5.358 1.942 -1.112 1.00 0.00 C ATOM 577 O GLU B 25 -5.757 1.559 -0.012 1.00 0.00 O ATOM 578 CB GLU B 25 -5.474 0.554 -3.237 1.00 0.00 C ATOM 579 CG GLU B 25 -6.414 -0.037 -4.295 1.00 0.00 C ATOM 580 CD GLU B 25 -5.799 -1.172 -5.117 1.00 0.00 C ATOM 581 OE1 GLU B 25 -4.567 -1.106 -5.349 1.00 0.00 O ATOM 582 OE2 GLU B 25 -6.565 -2.070 -5.528 1.00 0.00 O ATOM 0 H GLU B 25 -5.935 2.642 -4.184 1.00 0.00 H new ATOM 0 HA GLU B 25 -7.131 1.266 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.604 0.990 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.109 -0.244 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -7.312 -0.407 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.727 0.758 -4.972 1.00 0.00 H new ATOM 584 N LEU B 26 -4.278 2.723 -1.261 1.00 0.00 N ATOM 585 CA LEU B 26 -3.508 3.257 -0.120 1.00 0.00 C ATOM 586 C LEU B 26 -4.348 4.221 0.735 1.00 0.00 C ATOM 587 O LEU B 26 -4.336 4.126 1.958 1.00 0.00 O ATOM 588 CB LEU B 26 -2.241 3.975 -0.592 1.00 0.00 C ATOM 589 CG LEU B 26 -1.256 4.062 0.586 1.00 0.00 C ATOM 590 CD1 LEU B 26 -0.254 2.905 0.507 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.514 5.402 0.579 1.00 0.00 C ATOM 0 H LEU B 26 -3.912 3.003 -2.171 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.228 2.400 0.493 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.788 3.435 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.485 4.973 -0.955 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.819 3.990 1.516 1.00 0.00 H new ATOM 0 HD11 LEU B 26 0.443 2.969 1.343 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.789 1.956 0.553 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.298 2.965 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.177 5.440 1.421 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.043 5.504 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.233 6.217 0.663 1.00 0.00 H new ATOM 593 N GLY B 27 -5.093 5.114 0.067 1.00 0.00 N ATOM 594 CA GLY B 27 -6.108 5.990 0.701 1.00 0.00 C ATOM 595 C GLY B 27 -7.107 5.205 1.553 1.00 0.00 C ATOM 596 O GLY B 27 -7.329 5.538 2.716 1.00 0.00 O ATOM 0 H GLY B 27 -5.012 5.255 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -5.606 6.730 1.324 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -6.646 6.537 -0.073 1.00 0.00 H new ATOM 598 N GLU B 28 -7.608 4.098 1.010 1.00 0.00 N ATOM 599 CA GLU B 28 -8.473 3.134 1.709 1.00 0.00 C ATOM 600 C GLU B 28 -7.840 2.552 2.999 1.00 0.00 C ATOM 601 O GLU B 28 -8.560 2.325 3.977 1.00 0.00 O ATOM 602 CB GLU B 28 -8.878 2.037 0.719 1.00 0.00 C ATOM 603 CG GLU B 28 -9.934 1.064 1.278 1.00 0.00 C ATOM 604 CD GLU B 28 -10.435 0.048 0.240 1.00 0.00 C ATOM 605 OE1 GLU B 28 -9.647 -0.344 -0.648 1.00 0.00 O ATOM 606 OE2 GLU B 28 -11.612 -0.350 0.392 1.00 0.00 O ATOM 0 H GLU B 28 -7.421 3.834 0.043 1.00 0.00 H new ATOM 0 HA GLU B 28 -9.360 3.663 2.059 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.267 2.502 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.991 1.472 0.432 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.510 0.527 2.126 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.782 1.636 1.655 1.00 0.00 H new ATOM 608 N ILE B 29 -6.536 2.293 2.974 1.00 0.00 N ATOM 609 CA ILE B 29 -5.771 1.879 4.190 1.00 0.00 C ATOM 610 C ILE B 29 -5.676 3.088 5.157 1.00 0.00 C ATOM 611 O ILE B 29 -6.269 3.091 6.225 1.00 0.00 O ATOM 612 CB ILE B 29 -4.383 1.324 3.877 1.00 0.00 C ATOM 613 CG1 ILE B 29 -4.374 0.301 2.720 1.00 0.00 C ATOM 614 CG2 ILE B 29 -3.774 0.662 5.130 1.00 0.00 C ATOM 615 CD1 ILE B 29 -2.990 0.081 2.091 1.00 0.00 C ATOM 0 H ILE B 29 -5.967 2.357 2.130 1.00 0.00 H new ATOM 0 HA ILE B 29 -6.314 1.058 4.658 1.00 0.00 H new ATOM 0 HB ILE B 29 -3.786 2.180 3.562 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.750 -0.653 3.090 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.064 0.637 1.946 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -2.785 0.271 4.891 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -3.689 1.401 5.927 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -4.417 -0.155 5.459 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.068 -0.651 1.287 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -2.619 1.024 1.689 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -2.300 -0.287 2.850 1.00 0.00 H new ATOM 617 N LEU B 30 -5.003 4.139 4.678 1.00 0.00 N ATOM 618 CA LEU B 30 -4.649 5.365 5.427 1.00 0.00 C ATOM 619 C LEU B 30 -5.765 6.363 5.759 1.00 0.00 C ATOM 620 O LEU B 30 -5.508 7.382 6.391 1.00 0.00 O ATOM 621 CB LEU B 30 -3.584 6.107 4.622 1.00 0.00 C ATOM 622 CG LEU B 30 -2.178 5.954 5.226 1.00 0.00 C ATOM 623 CD1 LEU B 30 -1.645 4.527 5.122 1.00 0.00 C ATOM 624 CD2 LEU B 30 -1.217 6.915 4.510 1.00 0.00 C ATOM 0 H LEU B 30 -4.672 4.167 3.714 1.00 0.00 H new ATOM 0 HA LEU B 30 -4.327 4.998 6.401 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -3.579 5.732 3.599 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -3.842 7.165 4.572 1.00 0.00 H new ATOM 0 HG LEU B 30 -2.247 6.194 6.287 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -0.650 4.477 5.564 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -2.313 3.850 5.654 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -1.592 4.234 4.073 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.218 6.812 4.933 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -1.188 6.675 3.447 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.563 7.940 4.641 1.00 0.00 H new ATOM 626 N ARG B 31 -6.988 5.863 5.656 1.00 0.00 N ATOM 627 CA ARG B 31 -8.281 6.571 5.761 1.00 0.00 C ATOM 628 C ARG B 31 -8.388 7.602 6.912 1.00 0.00 C ATOM 629 O ARG B 31 -8.918 8.696 6.703 1.00 0.00 O ATOM 630 CB ARG B 31 -9.313 5.436 5.959 1.00 0.00 C ATOM 631 CG ARG B 31 -10.773 5.879 5.904 1.00 0.00 C ATOM 632 CD ARG B 31 -11.708 4.711 6.249 1.00 0.00 C ATOM 633 NE ARG B 31 -11.508 4.282 7.646 1.00 0.00 N ATOM 634 CZ ARG B 31 -12.278 4.617 8.693 1.00 0.00 C ATOM 635 NH1 ARG B 31 -13.356 5.371 8.567 1.00 0.00 N ATOM 636 NH2 ARG B 31 -11.904 4.264 9.915 1.00 0.00 N ATOM 0 H ARG B 31 -7.126 4.868 5.482 1.00 0.00 H new ATOM 0 HA ARG B 31 -8.435 7.180 4.870 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -9.149 4.678 5.193 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -9.129 4.961 6.922 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -10.936 6.700 6.602 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.006 6.256 4.908 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -12.745 5.012 6.100 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.519 3.875 5.575 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.711 3.674 7.834 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -13.629 5.721 7.649 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -13.915 5.603 9.388 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.038 3.743 10.053 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.482 4.514 10.717 1.00 0.00 H new ATOM 643 N ALA B 32 -7.779 7.294 8.059 1.00 0.00 N ATOM 644 CA ALA B 32 -7.671 8.185 9.237 1.00 0.00 C ATOM 645 C ALA B 32 -6.945 9.529 9.037 1.00 0.00 C ATOM 646 O ALA B 32 -6.990 10.384 9.923 1.00 0.00 O ATOM 647 CB ALA B 32 -7.003 7.394 10.361 1.00 0.00 C ATOM 0 H ALA B 32 -7.330 6.390 8.208 1.00 0.00 H new ATOM 0 HA ALA B 32 -8.692 8.487 9.469 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -6.909 8.026 11.244 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -7.610 6.521 10.602 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.013 7.071 10.040 1.00 0.00 H new ATOM 649 N THR B 33 -6.237 9.700 7.909 1.00 0.00 N ATOM 650 CA THR B 33 -5.500 10.933 7.557 1.00 0.00 C ATOM 651 C THR B 33 -6.415 12.144 7.339 1.00 0.00 C ATOM 652 O THR B 33 -6.984 12.329 6.255 1.00 0.00 O ATOM 653 CB THR B 33 -4.673 10.687 6.290 1.00 0.00 C ATOM 654 OG1 THR B 33 -5.503 10.165 5.254 1.00 0.00 O ATOM 655 CG2 THR B 33 -3.427 9.830 6.560 1.00 0.00 C ATOM 0 H THR B 33 -6.157 8.972 7.199 1.00 0.00 H new ATOM 0 HA THR B 33 -4.856 11.170 8.404 1.00 0.00 H new ATOM 0 HB THR B 33 -4.284 11.644 5.944 1.00 0.00 H new ATOM 0 HG1 THR B 33 -6.339 10.675 5.216 1.00 0.00 H new ATOM 0 HG21 THR B 33 -2.876 9.685 5.630 1.00 0.00 H new ATOM 0 HG22 THR B 33 -2.789 10.335 7.285 1.00 0.00 H new ATOM 0 HG23 THR B 33 -3.731 8.861 6.956 1.00 0.00 H new ATOM 658 N GLY B 34 -6.651 12.856 8.442 1.00 0.00 N ATOM 659 CA GLY B 34 -7.390 14.130 8.478 1.00 0.00 C ATOM 660 C GLY B 34 -6.604 15.276 7.826 1.00 0.00 C ATOM 661 O GLY B 34 -5.828 15.993 8.446 1.00 0.00 O ATOM 0 H GLY B 34 -6.327 12.559 9.362 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -8.344 14.009 7.966 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -7.614 14.389 9.513 1.00 0.00 H new HETATM 663 N NH2 B 35 -6.844 15.506 6.555 1.00 0.00 N TER 666 NH2 B 35 HETATM 667 CA CA A 69 7.237 0.267 -5.089 1.00 0.00 CA HETATM 668 CA CA B 70 -4.511 -3.434 -6.821 1.00 0.00 CA