USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= 0 X(o=0.34,f=0.23) USER MOD Set 1.2: A 38 SER OG : rot 180:sc= -0.475 USER MOD Set 1.3: A 41 LYS NZ :NH3+ -125:sc= 0.813 (180deg=-0.00575) USER MOD Set 2.1: A 13 TYR OH : rot 120:sc= -6.4! USER MOD Set 2.2: A 34 THR OG1 : rot 39:sc= -4.66! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -154:sc= -0.28 (180deg=-1.25!) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= -0.101 (180deg=-0.18) USER MOD Single : A 2 SER OG : rot 151:sc= -2.58! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.77! C(o=-8.8!,f=-18!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.968 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -140:sc= -1.76! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.27 USER MOD Single : A 67 GLN : amide:sc= 0.404 X(o=0.4,f=-0.0086) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00599) USER MOD Single : A 74 SER OG : rot 101:sc= 0.811 USER MOD Single : A 75 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 9.385 12.953 3.189 1.00 0.00 N ATOM 2 CA MET A 0 10.340 11.864 2.836 1.00 0.00 C ATOM 3 C MET A 0 10.085 10.650 3.731 1.00 0.00 C ATOM 4 O MET A 0 10.967 10.191 4.428 1.00 0.00 O ATOM 5 CB MET A 0 11.774 12.355 3.044 1.00 0.00 C ATOM 6 CG MET A 0 11.981 13.664 2.283 1.00 0.00 C ATOM 7 SD MET A 0 13.616 14.336 2.675 1.00 0.00 S ATOM 8 CE MET A 0 13.196 16.081 2.459 1.00 0.00 C ATOM 0 H1 MET A 0 9.238 13.567 2.363 1.00 0.00 H new ATOM 0 H2 MET A 0 8.476 12.538 3.478 1.00 0.00 H new ATOM 0 H3 MET A 0 9.774 13.515 3.973 1.00 0.00 H new ATOM 0 HA MET A 0 10.198 11.583 1.792 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.968 12.505 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 0 12.481 11.603 2.694 1.00 0.00 H new ATOM 0 HG2 MET A 0 11.894 13.491 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 0 11.206 14.381 2.554 1.00 0.00 H new ATOM 0 HE1 MET A 0 14.076 16.694 2.655 1.00 0.00 H new ATOM 0 HE2 MET A 0 12.856 16.250 1.437 1.00 0.00 H new ATOM 0 HE3 MET A 0 12.402 16.353 3.155 1.00 0.00 H new ATOM 18 N LYS A 1 8.886 10.128 3.714 1.00 0.00 N ATOM 19 CA LYS A 1 8.565 8.941 4.563 1.00 0.00 C ATOM 20 C LYS A 1 9.241 9.088 5.927 1.00 0.00 C ATOM 21 O LYS A 1 9.527 10.180 6.370 1.00 0.00 O ATOM 22 CB LYS A 1 9.059 7.667 3.880 1.00 0.00 C ATOM 23 CG LYS A 1 10.581 7.723 3.715 1.00 0.00 C ATOM 24 CD LYS A 1 11.077 6.432 3.063 1.00 0.00 C ATOM 25 CE LYS A 1 12.394 6.003 3.710 1.00 0.00 C ATOM 26 NZ LYS A 1 12.212 4.687 4.385 1.00 0.00 N ATOM 0 H LYS A 1 8.112 10.474 3.147 1.00 0.00 H new ATOM 0 HA LYS A 1 7.485 8.879 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.780 6.795 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.582 7.557 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.859 8.581 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.057 7.857 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.331 5.645 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 1 11.219 6.584 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.176 5.931 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.717 6.752 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.140 4.308 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.621 4.810 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.747 4.024 3.733 1.00 0.00 H new ATOM 40 N SER A 2 9.511 8.002 6.598 1.00 0.00 N ATOM 41 CA SER A 2 10.168 8.110 7.925 1.00 0.00 C ATOM 42 C SER A 2 11.586 7.538 7.816 1.00 0.00 C ATOM 43 O SER A 2 11.998 7.134 6.746 1.00 0.00 O ATOM 44 CB SER A 2 9.338 7.340 8.955 1.00 0.00 C ATOM 45 OG SER A 2 9.943 6.079 9.204 1.00 0.00 O ATOM 0 H SER A 2 9.306 7.053 6.286 1.00 0.00 H new ATOM 0 HA SER A 2 10.233 9.150 8.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.268 7.911 9.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.321 7.201 8.588 1.00 0.00 H new ATOM 0 HG SER A 2 9.739 5.793 10.119 1.00 0.00 H new ATOM 51 N PRO A 3 12.304 7.530 8.910 1.00 0.00 N ATOM 52 CA PRO A 3 13.688 7.023 8.923 1.00 0.00 C ATOM 53 C PRO A 3 13.749 5.588 8.389 1.00 0.00 C ATOM 54 O PRO A 3 14.809 5.081 8.081 1.00 0.00 O ATOM 55 CB PRO A 3 14.116 7.087 10.392 1.00 0.00 C ATOM 56 CG PRO A 3 12.986 7.796 11.179 1.00 0.00 C ATOM 57 CD PRO A 3 11.810 8.014 10.212 1.00 0.00 C ATOM 0 HA PRO A 3 14.347 7.609 8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.286 6.085 10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.054 7.633 10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.674 7.191 12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.336 8.749 11.577 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.927 7.461 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.527 9.066 10.163 1.00 0.00 H new ATOM 65 N GLU A 4 12.629 4.929 8.269 1.00 0.00 N ATOM 66 CA GLU A 4 12.646 3.535 7.746 1.00 0.00 C ATOM 67 C GLU A 4 11.309 2.857 8.043 1.00 0.00 C ATOM 68 O GLU A 4 11.257 1.817 8.667 1.00 0.00 O ATOM 69 CB GLU A 4 13.776 2.750 8.416 1.00 0.00 C ATOM 70 CG GLU A 4 13.863 3.132 9.895 1.00 0.00 C ATOM 71 CD GLU A 4 14.557 2.012 10.670 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.661 1.655 10.295 1.00 0.00 O ATOM 73 OE2 GLU A 4 13.973 1.531 11.629 1.00 0.00 O ATOM 0 H GLU A 4 11.707 5.294 8.509 1.00 0.00 H new ATOM 0 HA GLU A 4 12.808 3.557 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.596 1.679 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.723 2.962 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.416 4.064 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.864 3.302 10.297 1.00 0.00 H new ATOM 80 N GLU A 5 10.226 3.427 7.591 1.00 0.00 N ATOM 81 CA GLU A 5 8.904 2.797 7.843 1.00 0.00 C ATOM 82 C GLU A 5 8.335 2.296 6.519 1.00 0.00 C ATOM 83 O GLU A 5 7.521 1.396 6.478 1.00 0.00 O ATOM 84 CB GLU A 5 7.955 3.810 8.455 1.00 0.00 C ATOM 85 CG GLU A 5 6.973 3.094 9.385 1.00 0.00 C ATOM 86 CD GLU A 5 7.498 3.147 10.822 1.00 0.00 C ATOM 87 OE1 GLU A 5 8.501 3.806 11.042 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.887 2.528 11.677 1.00 0.00 O ATOM 0 H GLU A 5 10.201 4.298 7.061 1.00 0.00 H new ATOM 0 HA GLU A 5 9.023 1.963 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.517 4.561 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.411 4.335 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.992 3.565 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.848 2.058 9.071 1.00 0.00 H new ATOM 95 N LEU A 6 8.754 2.885 5.434 1.00 0.00 N ATOM 96 CA LEU A 6 8.242 2.460 4.106 1.00 0.00 C ATOM 97 C LEU A 6 8.557 0.985 3.907 1.00 0.00 C ATOM 98 O LEU A 6 7.762 0.230 3.388 1.00 0.00 O ATOM 99 CB LEU A 6 8.939 3.239 2.995 1.00 0.00 C ATOM 100 CG LEU A 6 7.918 3.759 2.000 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.612 4.062 0.670 1.00 0.00 C ATOM 102 CD2 LEU A 6 6.816 2.727 1.759 1.00 0.00 C ATOM 0 H LEU A 6 9.433 3.646 5.412 1.00 0.00 H new ATOM 0 HA LEU A 6 7.168 2.644 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.499 4.071 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.659 2.597 2.487 1.00 0.00 H new ATOM 0 HG LEU A 6 7.470 4.664 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.880 4.436 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.384 4.815 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.067 3.151 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.097 3.123 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.255 1.811 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.309 2.510 2.699 1.00 0.00 H new ATOM 114 N LYS A 7 9.724 0.573 4.306 1.00 0.00 N ATOM 115 CA LYS A 7 10.098 -0.855 4.131 1.00 0.00 C ATOM 116 C LYS A 7 9.301 -1.705 5.113 1.00 0.00 C ATOM 117 O LYS A 7 9.155 -2.898 4.943 1.00 0.00 O ATOM 118 CB LYS A 7 11.591 -1.029 4.397 1.00 0.00 C ATOM 119 CG LYS A 7 12.166 -2.030 3.393 1.00 0.00 C ATOM 120 CD LYS A 7 13.651 -2.253 3.687 1.00 0.00 C ATOM 121 CE LYS A 7 14.480 -1.156 3.014 1.00 0.00 C ATOM 122 NZ LYS A 7 15.556 -0.706 3.943 1.00 0.00 N ATOM 0 H LYS A 7 10.433 1.160 4.744 1.00 0.00 H new ATOM 0 HA LYS A 7 9.876 -1.170 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.103 -0.071 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.753 -1.383 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.626 -2.975 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.038 -1.657 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.824 -2.245 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.961 -3.232 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.917 -1.532 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.841 -0.315 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.120 0.039 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.128 -0.332 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.171 -1.511 4.177 1.00 0.00 H new ATOM 136 N GLY A 8 8.782 -1.096 6.140 1.00 0.00 N ATOM 137 CA GLY A 8 7.989 -1.866 7.136 1.00 0.00 C ATOM 138 C GLY A 8 6.709 -2.375 6.480 1.00 0.00 C ATOM 139 O GLY A 8 6.497 -3.562 6.357 1.00 0.00 O ATOM 0 H GLY A 8 8.872 -0.099 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.575 -2.704 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.746 -1.235 7.991 1.00 0.00 H new ATOM 143 N ILE A 9 5.853 -1.490 6.051 1.00 0.00 N ATOM 144 CA ILE A 9 4.601 -1.934 5.403 1.00 0.00 C ATOM 145 C ILE A 9 4.912 -3.037 4.402 1.00 0.00 C ATOM 146 O ILE A 9 4.407 -4.129 4.481 1.00 0.00 O ATOM 147 CB ILE A 9 3.970 -0.749 4.677 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.864 -1.246 3.752 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.022 0.006 3.872 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.020 -2.265 4.503 1.00 0.00 C ATOM 0 H ILE A 9 5.972 -0.480 6.124 1.00 0.00 H new ATOM 0 HA ILE A 9 3.910 -2.315 6.155 1.00 0.00 H new ATOM 0 HB ILE A 9 3.546 -0.068 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.244 -0.412 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.294 -1.697 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.554 0.848 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.798 0.375 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.467 -0.664 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.225 -2.629 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.648 -3.101 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.582 -1.796 5.384 1.00 0.00 H new ATOM 162 N PHE A 10 5.742 -2.763 3.461 1.00 0.00 N ATOM 163 CA PHE A 10 6.075 -3.803 2.462 1.00 0.00 C ATOM 164 C PHE A 10 6.407 -5.171 3.085 1.00 0.00 C ATOM 165 O PHE A 10 5.558 -6.021 3.223 1.00 0.00 O ATOM 166 CB PHE A 10 7.225 -3.326 1.573 1.00 0.00 C ATOM 167 CG PHE A 10 6.764 -3.178 0.159 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.470 -2.757 -0.157 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.648 -3.556 -0.848 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.069 -2.722 -1.498 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.256 -3.506 -2.174 1.00 0.00 C ATOM 172 CZ PHE A 10 5.972 -3.098 -2.505 1.00 0.00 C ATOM 0 H PHE A 10 6.209 -1.865 3.333 1.00 0.00 H new ATOM 0 HA PHE A 10 5.179 -3.955 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.605 -2.373 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.049 -4.038 1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.786 -2.462 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.643 -3.889 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.069 -2.407 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.951 -3.785 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.666 -3.070 -3.540 1.00 0.00 H new ATOM 182 N GLU A 11 7.630 -5.409 3.437 1.00 0.00 N ATOM 183 CA GLU A 11 7.998 -6.746 4.010 1.00 0.00 C ATOM 184 C GLU A 11 6.991 -7.163 5.085 1.00 0.00 C ATOM 185 O GLU A 11 6.897 -8.317 5.454 1.00 0.00 O ATOM 186 CB GLU A 11 9.404 -6.678 4.618 1.00 0.00 C ATOM 187 CG GLU A 11 9.375 -5.895 5.933 1.00 0.00 C ATOM 188 CD GLU A 11 10.672 -6.150 6.705 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.706 -5.680 6.259 1.00 0.00 O ATOM 190 OE2 GLU A 11 10.610 -6.811 7.728 1.00 0.00 O ATOM 0 H GLU A 11 8.399 -4.744 3.358 1.00 0.00 H new ATOM 0 HA GLU A 11 7.982 -7.486 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.781 -7.685 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.088 -6.200 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.262 -4.830 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.517 -6.200 6.532 1.00 0.00 H new ATOM 197 N LYS A 12 6.241 -6.233 5.585 1.00 0.00 N ATOM 198 CA LYS A 12 5.231 -6.550 6.633 1.00 0.00 C ATOM 199 C LYS A 12 3.951 -7.058 5.967 1.00 0.00 C ATOM 200 O LYS A 12 3.715 -8.246 5.873 1.00 0.00 O ATOM 201 CB LYS A 12 4.944 -5.294 7.456 1.00 0.00 C ATOM 202 CG LYS A 12 4.021 -5.639 8.618 1.00 0.00 C ATOM 203 CD LYS A 12 4.853 -6.160 9.787 1.00 0.00 C ATOM 204 CE LYS A 12 4.038 -7.188 10.566 1.00 0.00 C ATOM 205 NZ LYS A 12 4.030 -6.824 12.010 1.00 0.00 N ATOM 0 H LYS A 12 6.281 -5.251 5.312 1.00 0.00 H new ATOM 0 HA LYS A 12 5.614 -7.326 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.877 -4.874 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.483 -4.533 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.457 -4.758 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.295 -6.391 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.775 -6.612 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.140 -5.336 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.018 -7.225 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.464 -8.182 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.475 -7.524 12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.006 -6.810 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.604 -5.883 12.128 1.00 0.00 H new ATOM 219 N TYR A 13 3.122 -6.163 5.502 1.00 0.00 N ATOM 220 CA TYR A 13 1.860 -6.584 4.843 1.00 0.00 C ATOM 221 C TYR A 13 2.170 -7.066 3.426 1.00 0.00 C ATOM 222 O TYR A 13 1.565 -8.004 2.947 1.00 0.00 O ATOM 223 CB TYR A 13 0.892 -5.400 4.771 1.00 0.00 C ATOM 224 CG TYR A 13 0.790 -4.715 6.114 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.313 -5.322 7.261 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.178 -3.460 6.206 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.228 -4.674 8.495 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.091 -2.814 7.441 1.00 0.00 C ATOM 229 CZ TYR A 13 0.618 -3.422 8.587 1.00 0.00 C ATOM 230 OH TYR A 13 0.545 -2.783 9.806 1.00 0.00 O ATOM 0 H TYR A 13 3.268 -5.155 5.552 1.00 0.00 H new ATOM 0 HA TYR A 13 1.403 -7.389 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.234 -4.689 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.093 -5.747 4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.783 -6.292 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.227 -2.991 5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.635 -5.142 9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.383 -1.846 7.512 1.00 0.00 H new ATOM 0 HH TYR A 13 1.013 -1.924 9.753 1.00 0.00 H new ATOM 240 N ALA A 14 3.113 -6.463 2.742 1.00 0.00 N ATOM 241 CA ALA A 14 3.417 -6.964 1.372 1.00 0.00 C ATOM 242 C ALA A 14 3.835 -8.430 1.505 1.00 0.00 C ATOM 243 O ALA A 14 3.730 -9.204 0.577 1.00 0.00 O ATOM 244 CB ALA A 14 4.557 -6.145 0.716 1.00 0.00 C ATOM 0 H ALA A 14 3.668 -5.670 3.063 1.00 0.00 H new ATOM 0 HA ALA A 14 2.538 -6.862 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.756 -6.534 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.259 -5.099 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.459 -6.225 1.323 1.00 0.00 H new ATOM 250 N ASP A 15 4.317 -8.811 2.668 1.00 0.00 N ATOM 251 CA ASP A 15 4.762 -10.220 2.871 1.00 0.00 C ATOM 252 C ASP A 15 3.598 -11.068 3.387 1.00 0.00 C ATOM 253 O ASP A 15 3.618 -12.280 3.298 1.00 0.00 O ATOM 254 CB ASP A 15 5.911 -10.273 3.889 1.00 0.00 C ATOM 255 CG ASP A 15 6.679 -11.585 3.713 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.144 -12.481 3.080 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.788 -11.673 4.216 1.00 0.00 O ATOM 0 H ASP A 15 4.419 -8.204 3.481 1.00 0.00 H new ATOM 0 HA ASP A 15 5.106 -10.614 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.580 -9.424 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.518 -10.201 4.903 1.00 0.00 H new ATOM 262 N LYS A 16 2.586 -10.450 3.934 1.00 0.00 N ATOM 263 CA LYS A 16 1.436 -11.233 4.457 1.00 0.00 C ATOM 264 C LYS A 16 0.675 -11.856 3.288 1.00 0.00 C ATOM 265 O LYS A 16 0.047 -12.887 3.420 1.00 0.00 O ATOM 266 CB LYS A 16 0.512 -10.303 5.243 1.00 0.00 C ATOM 267 CG LYS A 16 0.295 -10.870 6.647 1.00 0.00 C ATOM 268 CD LYS A 16 1.182 -10.121 7.644 1.00 0.00 C ATOM 269 CE LYS A 16 1.325 -10.947 8.923 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.014 -11.114 9.555 1.00 0.00 N ATOM 0 H LYS A 16 2.508 -9.439 4.040 1.00 0.00 H new ATOM 0 HA LYS A 16 1.794 -12.026 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.948 -9.306 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.443 -10.201 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.753 -10.773 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.532 -11.934 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.163 -9.936 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.747 -9.148 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.755 -11.922 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.007 -10.452 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.101 -11.493 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.493 -10.192 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.585 -11.773 8.989 1.00 0.00 H new ATOM 284 N GLU A 17 0.735 -11.240 2.140 1.00 0.00 N ATOM 285 CA GLU A 17 0.023 -11.800 0.960 1.00 0.00 C ATOM 286 C GLU A 17 0.862 -12.930 0.363 1.00 0.00 C ATOM 287 O GLU A 17 0.352 -13.813 -0.300 1.00 0.00 O ATOM 288 CB GLU A 17 -0.175 -10.701 -0.084 1.00 0.00 C ATOM 289 CG GLU A 17 1.170 -10.350 -0.722 1.00 0.00 C ATOM 290 CD GLU A 17 1.273 -11.022 -2.091 1.00 0.00 C ATOM 291 OE1 GLU A 17 0.241 -11.385 -2.630 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.382 -11.163 -2.579 1.00 0.00 O ATOM 0 H GLU A 17 1.246 -10.374 1.969 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.950 -12.186 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.876 -11.035 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.609 -9.817 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.264 -9.269 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.987 -10.680 -0.080 1.00 0.00 H new ATOM 299 N GLY A 18 2.145 -12.911 0.597 1.00 0.00 N ATOM 300 CA GLY A 18 3.016 -13.987 0.050 1.00 0.00 C ATOM 301 C GLY A 18 4.241 -13.371 -0.631 1.00 0.00 C ATOM 302 O GLY A 18 4.562 -13.699 -1.756 1.00 0.00 O ATOM 0 H GLY A 18 2.627 -12.197 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.332 -14.654 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.457 -14.591 -0.665 1.00 0.00 H new ATOM 306 N ASP A 19 4.934 -12.487 0.038 1.00 0.00 N ATOM 307 CA ASP A 19 6.137 -11.873 -0.593 1.00 0.00 C ATOM 308 C ASP A 19 6.736 -10.799 0.325 1.00 0.00 C ATOM 309 O ASP A 19 7.657 -11.057 1.074 1.00 0.00 O ATOM 310 CB ASP A 19 5.739 -11.263 -1.941 1.00 0.00 C ATOM 311 CG ASP A 19 6.821 -11.571 -2.978 1.00 0.00 C ATOM 312 OD1 ASP A 19 7.972 -11.683 -2.590 1.00 0.00 O ATOM 313 OD2 ASP A 19 6.478 -11.695 -4.143 1.00 0.00 O ATOM 0 H ASP A 19 4.722 -12.167 0.983 1.00 0.00 H new ATOM 0 HA ASP A 19 6.894 -12.641 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.781 -11.668 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.612 -10.185 -1.841 1.00 0.00 H new ATOM 318 N GLY A 20 6.243 -9.597 0.255 1.00 0.00 N ATOM 319 CA GLY A 20 6.799 -8.499 1.100 1.00 0.00 C ATOM 320 C GLY A 20 7.374 -7.443 0.173 1.00 0.00 C ATOM 321 O GLY A 20 7.693 -6.344 0.581 1.00 0.00 O ATOM 0 H GLY A 20 5.473 -9.323 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.020 -8.070 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.571 -8.884 1.766 1.00 0.00 H new ATOM 325 N ASN A 21 7.516 -7.773 -1.082 1.00 0.00 N ATOM 326 CA ASN A 21 8.075 -6.807 -2.033 1.00 0.00 C ATOM 327 C ASN A 21 6.969 -6.216 -2.934 1.00 0.00 C ATOM 328 O ASN A 21 7.246 -5.459 -3.840 1.00 0.00 O ATOM 329 CB ASN A 21 9.112 -7.535 -2.883 1.00 0.00 C ATOM 330 CG ASN A 21 10.486 -7.400 -2.234 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.368 -6.759 -2.770 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.704 -7.985 -1.091 1.00 0.00 N ATOM 0 H ASN A 21 7.264 -8.678 -1.479 1.00 0.00 H new ATOM 0 HA ASN A 21 8.534 -5.979 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.845 -8.587 -2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.131 -7.118 -3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.617 -7.906 -0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.962 -8.522 -0.643 1.00 0.00 H new ATOM 339 N GLN A 22 5.723 -6.549 -2.694 1.00 0.00 N ATOM 340 CA GLN A 22 4.613 -5.992 -3.539 1.00 0.00 C ATOM 341 C GLN A 22 3.330 -5.911 -2.702 1.00 0.00 C ATOM 342 O GLN A 22 3.110 -6.697 -1.802 1.00 0.00 O ATOM 343 CB GLN A 22 4.372 -6.886 -4.760 1.00 0.00 C ATOM 344 CG GLN A 22 5.702 -7.340 -5.354 1.00 0.00 C ATOM 345 CD GLN A 22 6.244 -8.498 -4.522 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.702 -8.824 -3.485 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.292 -9.145 -4.933 1.00 0.00 N ATOM 0 H GLN A 22 5.425 -7.181 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 22 4.894 -4.997 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.779 -7.754 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.798 -6.342 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.566 -7.651 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.414 -6.514 -5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.750 -8.874 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.657 -9.924 -4.386 1.00 0.00 H new ATOM 356 N LEU A 23 2.503 -4.932 -2.967 1.00 0.00 N ATOM 357 CA LEU A 23 1.262 -4.754 -2.168 1.00 0.00 C ATOM 358 C LEU A 23 0.010 -4.596 -3.024 1.00 0.00 C ATOM 359 O LEU A 23 -0.028 -3.827 -3.958 1.00 0.00 O ATOM 360 CB LEU A 23 1.400 -3.482 -1.386 1.00 0.00 C ATOM 361 CG LEU A 23 1.803 -3.834 0.027 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.413 -2.612 0.717 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.573 -4.307 0.795 1.00 0.00 C ATOM 0 H LEU A 23 2.639 -4.245 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 23 1.149 -5.645 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.148 -2.834 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.459 -2.932 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 23 2.547 -4.630 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.701 -2.875 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.293 -2.284 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.680 -1.806 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.857 -4.563 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.172 -3.512 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.153 -5.185 0.305 1.00 0.00 H new ATOM 375 N SER A 24 -1.044 -5.260 -2.652 1.00 0.00 N ATOM 376 CA SER A 24 -2.314 -5.128 -3.380 1.00 0.00 C ATOM 377 C SER A 24 -3.335 -4.504 -2.415 1.00 0.00 C ATOM 378 O SER A 24 -2.986 -4.051 -1.343 1.00 0.00 O ATOM 379 CB SER A 24 -2.753 -6.529 -3.829 1.00 0.00 C ATOM 380 OG SER A 24 -1.624 -7.393 -3.806 1.00 0.00 O ATOM 0 H SER A 24 -1.071 -5.899 -1.857 1.00 0.00 H new ATOM 0 HA SER A 24 -2.223 -4.494 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.533 -6.910 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.176 -6.488 -4.833 1.00 0.00 H new ATOM 0 HG SER A 24 -1.894 -8.291 -4.090 1.00 0.00 H new ATOM 386 N LYS A 25 -4.579 -4.466 -2.781 1.00 0.00 N ATOM 387 CA LYS A 25 -5.613 -3.863 -1.887 1.00 0.00 C ATOM 388 C LYS A 25 -5.812 -4.746 -0.659 1.00 0.00 C ATOM 389 O LYS A 25 -6.338 -4.315 0.348 1.00 0.00 O ATOM 390 CB LYS A 25 -6.936 -3.756 -2.641 1.00 0.00 C ATOM 391 CG LYS A 25 -7.628 -2.437 -2.295 1.00 0.00 C ATOM 392 CD LYS A 25 -8.366 -1.915 -3.531 1.00 0.00 C ATOM 393 CE LYS A 25 -9.478 -2.896 -3.905 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.768 -2.424 -3.326 1.00 0.00 N ATOM 0 H LYS A 25 -4.933 -4.828 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.282 -2.872 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.758 -3.812 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.582 -4.595 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.329 -2.585 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.894 -1.705 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.787 -0.930 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.671 -1.800 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.560 -2.974 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.241 -3.892 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.526 -3.089 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.685 -2.371 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.994 -1.482 -3.704 1.00 0.00 H new ATOM 408 N GLU A 26 -5.406 -5.977 -0.736 1.00 0.00 N ATOM 409 CA GLU A 26 -5.584 -6.888 0.423 1.00 0.00 C ATOM 410 C GLU A 26 -4.721 -6.423 1.599 1.00 0.00 C ATOM 411 O GLU A 26 -4.794 -6.978 2.678 1.00 0.00 O ATOM 412 CB GLU A 26 -5.176 -8.308 0.023 1.00 0.00 C ATOM 413 CG GLU A 26 -5.778 -9.311 1.010 1.00 0.00 C ATOM 414 CD GLU A 26 -7.274 -9.472 0.731 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.989 -8.491 0.856 1.00 0.00 O ATOM 416 OE2 GLU A 26 -7.680 -10.574 0.400 1.00 0.00 O ATOM 0 H GLU A 26 -4.958 -6.393 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.631 -6.876 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.521 -8.525 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.090 -8.397 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.275 -10.274 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.624 -8.967 2.033 1.00 0.00 H new ATOM 423 N GLU A 27 -3.892 -5.421 1.419 1.00 0.00 N ATOM 424 CA GLU A 27 -3.044 -4.982 2.569 1.00 0.00 C ATOM 425 C GLU A 27 -2.534 -3.540 2.390 1.00 0.00 C ATOM 426 O GLU A 27 -1.549 -3.158 2.991 1.00 0.00 O ATOM 427 CB GLU A 27 -1.840 -5.925 2.723 1.00 0.00 C ATOM 428 CG GLU A 27 -2.078 -7.231 1.958 1.00 0.00 C ATOM 429 CD GLU A 27 -0.808 -8.077 1.981 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.026 -7.884 1.112 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.688 -8.907 2.869 1.00 0.00 O ATOM 0 H GLU A 27 -3.768 -4.902 0.550 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.667 -5.015 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.939 -5.438 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.672 -6.140 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.903 -7.783 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.364 -7.014 0.929 1.00 0.00 H new ATOM 438 N LEU A 28 -3.190 -2.722 1.608 1.00 0.00 N ATOM 439 CA LEU A 28 -2.726 -1.321 1.460 1.00 0.00 C ATOM 440 C LEU A 28 -3.449 -0.493 2.528 1.00 0.00 C ATOM 441 O LEU A 28 -2.978 0.529 2.987 1.00 0.00 O ATOM 442 CB LEU A 28 -3.081 -0.845 0.042 1.00 0.00 C ATOM 443 CG LEU A 28 -3.579 0.603 0.064 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.510 1.518 0.660 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.891 1.072 -1.355 1.00 0.00 C ATOM 0 H LEU A 28 -4.022 -2.967 1.071 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.649 -1.221 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.206 -0.924 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.849 -1.492 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.482 0.647 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.875 2.545 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.287 1.202 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.604 1.461 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.244 2.103 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.989 1.013 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.663 0.435 -1.787 1.00 0.00 H new ATOM 457 N LYS A 29 -4.593 -0.965 2.919 1.00 0.00 N ATOM 458 CA LYS A 29 -5.414 -0.330 3.930 1.00 0.00 C ATOM 459 C LYS A 29 -4.822 -0.609 5.313 1.00 0.00 C ATOM 460 O LYS A 29 -4.578 0.292 6.084 1.00 0.00 O ATOM 461 CB LYS A 29 -6.765 -0.981 3.796 1.00 0.00 C ATOM 462 CG LYS A 29 -7.567 -0.584 4.990 1.00 0.00 C ATOM 463 CD LYS A 29 -9.045 -0.562 4.631 1.00 0.00 C ATOM 464 CE LYS A 29 -9.782 -1.706 5.364 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.140 -1.869 4.774 1.00 0.00 N ATOM 0 H LYS A 29 -5.000 -1.821 2.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.472 0.752 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.257 -0.660 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.666 -2.065 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.392 -1.284 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.253 0.399 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.481 0.398 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.168 -0.670 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.219 -2.635 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.859 -1.483 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.641 -2.638 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.674 -0.983 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.054 -2.100 3.764 1.00 0.00 H new ATOM 479 N LEU A 30 -4.594 -1.858 5.623 1.00 0.00 N ATOM 480 CA LEU A 30 -4.021 -2.220 6.952 1.00 0.00 C ATOM 481 C LEU A 30 -2.960 -1.200 7.352 1.00 0.00 C ATOM 482 O LEU A 30 -2.834 -0.846 8.497 1.00 0.00 O ATOM 483 CB LEU A 30 -3.375 -3.604 6.865 1.00 0.00 C ATOM 484 CG LEU A 30 -4.420 -4.635 6.440 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.772 -6.018 6.364 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.556 -4.662 7.465 1.00 0.00 C ATOM 0 H LEU A 30 -4.782 -2.649 5.007 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.818 -2.227 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.554 -3.588 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.951 -3.879 7.831 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.818 -4.365 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.518 -6.753 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.962 -6.001 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.374 -6.287 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.302 -5.397 7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.157 -4.931 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.019 -3.677 7.521 1.00 0.00 H new ATOM 498 N LEU A 31 -2.216 -0.714 6.405 1.00 0.00 N ATOM 499 CA LEU A 31 -1.159 0.300 6.705 1.00 0.00 C ATOM 500 C LEU A 31 -1.817 1.572 7.179 1.00 0.00 C ATOM 501 O LEU A 31 -1.603 2.049 8.274 1.00 0.00 O ATOM 502 CB LEU A 31 -0.420 0.619 5.417 1.00 0.00 C ATOM 503 CG LEU A 31 0.808 1.481 5.723 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.667 0.791 6.783 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.626 1.670 4.442 1.00 0.00 C ATOM 0 H LEU A 31 -2.291 -0.975 5.422 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.480 -0.088 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.114 -0.304 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.082 1.144 4.728 1.00 0.00 H new ATOM 0 HG LEU A 31 0.487 2.453 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.541 1.406 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.083 0.656 7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.991 -0.182 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.501 2.283 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.947 0.698 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.013 2.164 3.688 1.00 0.00 H new ATOM 517 N LEU A 32 -2.619 2.113 6.331 1.00 0.00 N ATOM 518 CA LEU A 32 -3.337 3.360 6.659 1.00 0.00 C ATOM 519 C LEU A 32 -3.866 3.266 8.079 1.00 0.00 C ATOM 520 O LEU A 32 -3.579 4.080 8.927 1.00 0.00 O ATOM 521 CB LEU A 32 -4.517 3.505 5.728 1.00 0.00 C ATOM 522 CG LEU A 32 -4.146 3.023 4.331 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.111 3.645 3.363 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.720 3.454 3.972 1.00 0.00 C ATOM 0 H LEU A 32 -2.814 1.738 5.403 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.662 4.210 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.362 2.930 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.833 4.547 5.689 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.194 1.935 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.872 3.319 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.126 3.337 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.036 4.731 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.474 3.100 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.651 4.541 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.019 3.027 4.690 1.00 0.00 H new ATOM 536 N GLN A 33 -4.685 2.283 8.300 1.00 0.00 N ATOM 537 CA GLN A 33 -5.324 2.096 9.664 1.00 0.00 C ATOM 538 C GLN A 33 -4.465 1.310 10.663 1.00 0.00 C ATOM 539 O GLN A 33 -4.856 1.159 11.804 1.00 0.00 O ATOM 540 CB GLN A 33 -6.713 1.449 9.520 1.00 0.00 C ATOM 541 CG GLN A 33 -6.604 0.022 8.967 1.00 0.00 C ATOM 542 CD GLN A 33 -7.858 -0.766 9.359 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.963 -0.301 9.159 1.00 0.00 O ATOM 544 NE2 GLN A 33 -7.741 -1.944 9.913 1.00 0.00 N ATOM 0 H GLN A 33 -4.952 1.588 7.603 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.421 3.097 10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.211 1.429 10.490 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.332 2.053 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.499 0.046 7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.714 -0.467 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.816 -2.338 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.575 -2.469 10.176 1.00 0.00 H new ATOM 553 N THR A 34 -3.305 0.851 10.314 1.00 0.00 N ATOM 554 CA THR A 34 -2.496 0.150 11.349 1.00 0.00 C ATOM 555 C THR A 34 -1.930 1.230 12.238 1.00 0.00 C ATOM 556 O THR A 34 -1.960 1.166 13.451 1.00 0.00 O ATOM 557 CB THR A 34 -1.346 -0.613 10.709 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.971 0.019 9.493 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.790 -2.040 10.443 1.00 0.00 C ATOM 0 H THR A 34 -2.886 0.924 9.387 1.00 0.00 H new ATOM 0 HA THR A 34 -3.109 -0.564 11.898 1.00 0.00 H new ATOM 0 HB THR A 34 -0.486 -0.620 11.378 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.019 0.992 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.972 -2.596 9.984 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.069 -2.515 11.383 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.648 -2.035 9.770 1.00 0.00 H new ATOM 567 N GLU A 35 -1.423 2.231 11.604 1.00 0.00 N ATOM 568 CA GLU A 35 -0.839 3.381 12.329 1.00 0.00 C ATOM 569 C GLU A 35 -1.775 4.586 12.207 1.00 0.00 C ATOM 570 O GLU A 35 -1.641 5.562 12.918 1.00 0.00 O ATOM 571 CB GLU A 35 0.504 3.724 11.698 1.00 0.00 C ATOM 572 CG GLU A 35 1.453 2.526 11.818 1.00 0.00 C ATOM 573 CD GLU A 35 2.790 2.984 12.404 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.770 3.810 13.301 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.812 2.500 11.944 1.00 0.00 O ATOM 0 H GLU A 35 -1.386 2.306 10.587 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.706 3.129 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.367 3.988 10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.937 4.594 12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.009 1.760 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.610 2.074 10.838 1.00 0.00 H new ATOM 582 N PHE A 36 -2.710 4.537 11.291 1.00 0.00 N ATOM 583 CA PHE A 36 -3.631 5.686 11.110 1.00 0.00 C ATOM 584 C PHE A 36 -5.039 5.224 10.718 1.00 0.00 C ATOM 585 O PHE A 36 -5.402 5.381 9.577 1.00 0.00 O ATOM 586 CB PHE A 36 -3.106 6.605 9.999 1.00 0.00 C ATOM 587 CG PHE A 36 -1.638 6.356 9.732 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.662 6.915 10.566 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.257 5.574 8.636 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.697 6.690 10.300 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.098 5.352 8.368 1.00 0.00 C ATOM 592 CZ PHE A 36 1.076 5.908 9.199 1.00 0.00 C ATOM 0 H PHE A 36 -2.870 3.749 10.664 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.680 6.215 12.062 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.678 6.439 9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.255 7.646 10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.955 7.518 11.413 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.011 5.141 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.451 7.119 10.943 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.389 4.751 7.519 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.122 5.735 8.993 1.00 0.00 H new ATOM 602 N PRO A 37 -5.803 4.739 11.703 1.00 0.00 N ATOM 603 CA PRO A 37 -7.200 4.316 11.564 1.00 0.00 C ATOM 604 C PRO A 37 -7.785 5.051 10.411 1.00 0.00 C ATOM 605 O PRO A 37 -8.443 6.060 10.492 1.00 0.00 O ATOM 606 CB PRO A 37 -7.810 4.653 12.905 1.00 0.00 C ATOM 607 CG PRO A 37 -6.617 4.634 13.883 1.00 0.00 C ATOM 608 CD PRO A 37 -5.331 4.598 13.037 1.00 0.00 C ATOM 0 HA PRO A 37 -7.364 3.260 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.294 5.629 12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.570 3.925 13.190 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.631 5.516 14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.671 3.764 14.538 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.650 5.405 13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.788 3.663 13.173 1.00 0.00 H new ATOM 616 N SER A 38 -7.383 4.528 9.345 1.00 0.00 N ATOM 617 CA SER A 38 -7.650 5.073 8.001 1.00 0.00 C ATOM 618 C SER A 38 -8.897 5.918 7.977 1.00 0.00 C ATOM 619 O SER A 38 -10.016 5.450 7.920 1.00 0.00 O ATOM 620 CB SER A 38 -7.823 3.913 7.024 1.00 0.00 C ATOM 621 OG SER A 38 -8.815 3.026 7.523 1.00 0.00 O ATOM 0 H SER A 38 -6.831 3.670 9.328 1.00 0.00 H new ATOM 0 HA SER A 38 -6.807 5.704 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.114 4.288 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.878 3.386 6.896 1.00 0.00 H new ATOM 0 HG SER A 38 -8.931 2.280 6.898 1.00 0.00 H new ATOM 627 N LEU A 39 -8.657 7.196 7.956 1.00 0.00 N ATOM 628 CA LEU A 39 -9.747 8.179 7.862 1.00 0.00 C ATOM 629 C LEU A 39 -10.274 8.104 6.426 1.00 0.00 C ATOM 630 O LEU A 39 -11.266 8.709 6.078 1.00 0.00 O ATOM 631 CB LEU A 39 -9.218 9.605 8.138 1.00 0.00 C ATOM 632 CG LEU A 39 -7.996 9.614 9.092 1.00 0.00 C ATOM 633 CD1 LEU A 39 -8.105 8.510 10.144 1.00 0.00 C ATOM 634 CD2 LEU A 39 -6.692 9.422 8.302 1.00 0.00 C ATOM 0 H LEU A 39 -7.723 7.603 8.002 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.525 7.963 8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.941 10.075 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.017 10.207 8.571 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.984 10.582 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.233 8.543 10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.008 8.659 10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.152 7.540 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.846 9.431 8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.722 8.468 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.582 10.231 7.580 1.00 0.00 H new ATOM 646 N LEU A 40 -9.593 7.349 5.594 1.00 0.00 N ATOM 647 CA LEU A 40 -10.008 7.194 4.176 1.00 0.00 C ATOM 648 C LEU A 40 -11.532 7.041 4.115 1.00 0.00 C ATOM 649 O LEU A 40 -12.260 8.015 4.110 1.00 0.00 O ATOM 650 CB LEU A 40 -9.316 5.941 3.590 1.00 0.00 C ATOM 651 CG LEU A 40 -7.782 5.964 3.815 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.094 5.441 2.556 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.277 7.389 4.078 1.00 0.00 C ATOM 0 H LEU A 40 -8.754 6.828 5.850 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.718 8.069 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.736 5.047 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.525 5.878 2.522 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.554 5.344 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.014 5.452 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.424 4.421 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.353 6.076 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.198 7.370 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.511 8.022 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.763 7.789 4.968 1.00 0.00 H new ATOM 665 N LYS A 41 -12.025 5.831 4.091 1.00 0.00 N ATOM 666 CA LYS A 41 -13.497 5.618 4.062 1.00 0.00 C ATOM 667 C LYS A 41 -14.164 6.629 3.124 1.00 0.00 C ATOM 668 O LYS A 41 -15.180 7.211 3.453 1.00 0.00 O ATOM 669 CB LYS A 41 -14.051 5.788 5.482 1.00 0.00 C ATOM 670 CG LYS A 41 -13.050 5.229 6.507 1.00 0.00 C ATOM 671 CD LYS A 41 -13.642 3.985 7.170 1.00 0.00 C ATOM 672 CE LYS A 41 -12.710 3.509 8.284 1.00 0.00 C ATOM 673 NZ LYS A 41 -11.545 2.799 7.686 1.00 0.00 N ATOM 0 H LYS A 41 -11.466 4.978 4.090 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.709 4.613 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.240 6.842 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.006 5.270 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.110 4.980 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.825 5.984 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.627 4.211 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.776 3.195 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.368 4.359 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.246 2.845 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.467 1.849 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.678 2.718 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.675 3.334 7.881 1.00 0.00 H new ATOM 687 N GLY A 42 -13.615 6.844 1.958 1.00 0.00 N ATOM 688 CA GLY A 42 -14.243 7.817 1.017 1.00 0.00 C ATOM 689 C GLY A 42 -13.320 8.075 -0.179 1.00 0.00 C ATOM 690 O GLY A 42 -12.837 9.173 -0.362 1.00 0.00 O ATOM 0 H GLY A 42 -12.766 6.392 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.200 7.430 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.448 8.754 1.535 1.00 0.00 H new ATOM 694 N MET A 43 -13.096 7.071 -0.997 1.00 0.00 N ATOM 695 CA MET A 43 -12.220 7.231 -2.206 1.00 0.00 C ATOM 696 C MET A 43 -10.734 7.226 -1.875 1.00 0.00 C ATOM 697 O MET A 43 -9.966 6.503 -2.480 1.00 0.00 O ATOM 698 CB MET A 43 -12.542 8.528 -2.950 1.00 0.00 C ATOM 699 CG MET A 43 -13.294 8.188 -4.220 1.00 0.00 C ATOM 700 SD MET A 43 -15.077 8.312 -3.933 1.00 0.00 S ATOM 701 CE MET A 43 -15.609 7.697 -5.549 1.00 0.00 C ATOM 0 H MET A 43 -13.487 6.137 -0.877 1.00 0.00 H new ATOM 0 HA MET A 43 -12.433 6.366 -2.834 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.142 9.185 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.624 9.065 -3.187 1.00 0.00 H new ATOM 0 HG2 MET A 43 -12.998 8.866 -5.021 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.039 7.179 -4.545 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.698 7.688 -5.594 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.218 8.347 -6.332 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.232 6.685 -5.695 1.00 0.00 H new ATOM 711 N SER A 44 -10.296 8.049 -0.975 1.00 0.00 N ATOM 712 CA SER A 44 -8.846 8.092 -0.697 1.00 0.00 C ATOM 713 C SER A 44 -8.295 6.672 -0.537 1.00 0.00 C ATOM 714 O SER A 44 -7.121 6.427 -0.735 1.00 0.00 O ATOM 715 CB SER A 44 -8.584 8.906 0.571 1.00 0.00 C ATOM 716 OG SER A 44 -9.562 8.579 1.551 1.00 0.00 O ATOM 0 H SER A 44 -10.872 8.687 -0.426 1.00 0.00 H new ATOM 0 HA SER A 44 -8.339 8.569 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.585 8.694 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.620 9.972 0.346 1.00 0.00 H new ATOM 0 HG SER A 44 -9.837 9.393 2.023 1.00 0.00 H new ATOM 722 N THR A 45 -9.130 5.733 -0.189 1.00 0.00 N ATOM 723 CA THR A 45 -8.653 4.331 -0.025 1.00 0.00 C ATOM 724 C THR A 45 -7.944 3.875 -1.304 1.00 0.00 C ATOM 725 O THR A 45 -7.723 4.651 -2.213 1.00 0.00 O ATOM 726 CB THR A 45 -9.853 3.425 0.258 1.00 0.00 C ATOM 727 OG1 THR A 45 -9.398 2.137 0.645 1.00 0.00 O ATOM 728 CG2 THR A 45 -10.708 3.313 -0.999 1.00 0.00 C ATOM 0 H THR A 45 -10.124 5.876 -0.011 1.00 0.00 H new ATOM 0 HA THR A 45 -7.951 4.275 0.807 1.00 0.00 H new ATOM 0 HB THR A 45 -10.449 3.851 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.168 1.559 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.564 2.668 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.059 4.303 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.113 2.888 -1.807 1.00 0.00 H new ATOM 736 N LEU A 46 -7.576 2.620 -1.383 1.00 0.00 N ATOM 737 CA LEU A 46 -6.872 2.119 -2.609 1.00 0.00 C ATOM 738 C LEU A 46 -7.707 2.394 -3.860 1.00 0.00 C ATOM 739 O LEU A 46 -7.252 2.213 -4.966 1.00 0.00 O ATOM 740 CB LEU A 46 -6.635 0.614 -2.520 1.00 0.00 C ATOM 741 CG LEU A 46 -5.928 0.118 -3.801 1.00 0.00 C ATOM 742 CD1 LEU A 46 -4.865 1.123 -4.276 1.00 0.00 C ATOM 743 CD2 LEU A 46 -5.245 -1.221 -3.520 1.00 0.00 C ATOM 0 H LEU A 46 -7.731 1.922 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.918 2.643 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.026 0.384 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.585 0.094 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.681 0.009 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.385 0.746 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.340 2.081 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.116 1.256 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.746 -1.572 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.510 -1.095 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.992 -1.952 -3.211 1.00 0.00 H new ATOM 755 N ASP A 47 -8.922 2.814 -3.707 1.00 0.00 N ATOM 756 CA ASP A 47 -9.757 3.097 -4.897 1.00 0.00 C ATOM 757 C ASP A 47 -8.988 4.013 -5.846 1.00 0.00 C ATOM 758 O ASP A 47 -8.577 3.615 -6.917 1.00 0.00 O ATOM 759 CB ASP A 47 -11.031 3.786 -4.452 1.00 0.00 C ATOM 760 CG ASP A 47 -12.188 2.787 -4.445 1.00 0.00 C ATOM 761 OD1 ASP A 47 -12.630 2.415 -5.520 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.613 2.409 -3.366 1.00 0.00 O ATOM 0 H ASP A 47 -9.376 2.974 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.001 2.166 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.898 4.208 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.259 4.615 -5.122 1.00 0.00 H new ATOM 767 N GLU A 48 -8.787 5.240 -5.453 1.00 0.00 N ATOM 768 CA GLU A 48 -8.040 6.187 -6.319 1.00 0.00 C ATOM 769 C GLU A 48 -6.549 6.071 -6.023 1.00 0.00 C ATOM 770 O GLU A 48 -5.718 6.593 -6.739 1.00 0.00 O ATOM 771 CB GLU A 48 -8.505 7.608 -6.034 1.00 0.00 C ATOM 772 CG GLU A 48 -8.896 8.261 -7.351 1.00 0.00 C ATOM 773 CD GLU A 48 -9.652 9.563 -7.077 1.00 0.00 C ATOM 774 OE1 GLU A 48 -10.643 9.511 -6.366 1.00 0.00 O ATOM 775 OE2 GLU A 48 -9.229 10.589 -7.583 1.00 0.00 O ATOM 0 H GLU A 48 -9.110 5.626 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.224 5.948 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.353 7.599 -5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.711 8.177 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.005 8.465 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.520 7.583 -7.933 1.00 0.00 H new ATOM 782 N LEU A 49 -6.204 5.365 -4.986 1.00 0.00 N ATOM 783 CA LEU A 49 -4.767 5.185 -4.659 1.00 0.00 C ATOM 784 C LEU A 49 -4.212 4.139 -5.621 1.00 0.00 C ATOM 785 O LEU A 49 -3.030 4.067 -5.890 1.00 0.00 O ATOM 786 CB LEU A 49 -4.638 4.693 -3.220 1.00 0.00 C ATOM 787 CG LEU A 49 -3.424 5.351 -2.562 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.459 5.104 -1.053 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.143 4.750 -3.145 1.00 0.00 C ATOM 0 H LEU A 49 -6.856 4.905 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.218 6.122 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.542 4.932 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.530 3.608 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.446 6.424 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.593 5.574 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.371 5.530 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.438 4.032 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.276 5.217 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.124 3.677 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.115 4.927 -4.220 1.00 0.00 H new ATOM 801 N PHE A 50 -5.094 3.338 -6.141 1.00 0.00 N ATOM 802 CA PHE A 50 -4.706 2.275 -7.107 1.00 0.00 C ATOM 803 C PHE A 50 -4.510 2.894 -8.493 1.00 0.00 C ATOM 804 O PHE A 50 -3.552 2.609 -9.182 1.00 0.00 O ATOM 805 CB PHE A 50 -5.838 1.248 -7.185 1.00 0.00 C ATOM 806 CG PHE A 50 -5.383 0.048 -7.981 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.420 -0.819 -7.451 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.925 -0.198 -9.247 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.998 -1.932 -8.188 1.00 0.00 C ATOM 810 CE2 PHE A 50 -5.505 -1.310 -9.984 1.00 0.00 C ATOM 811 CZ PHE A 50 -4.541 -2.178 -9.454 1.00 0.00 C ATOM 0 H PHE A 50 -6.092 3.376 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.781 1.800 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.133 0.940 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.716 1.695 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.002 -0.629 -6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.668 0.471 -9.655 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.254 -2.600 -7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.924 -1.500 -10.961 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.217 -3.037 -10.023 1.00 0.00 H new ATOM 821 N GLU A 51 -5.423 3.732 -8.908 1.00 0.00 N ATOM 822 CA GLU A 51 -5.307 4.365 -10.253 1.00 0.00 C ATOM 823 C GLU A 51 -4.030 5.201 -10.321 1.00 0.00 C ATOM 824 O GLU A 51 -3.377 5.270 -11.343 1.00 0.00 O ATOM 825 CB GLU A 51 -6.522 5.267 -10.493 1.00 0.00 C ATOM 826 CG GLU A 51 -6.909 5.225 -11.974 1.00 0.00 C ATOM 827 CD GLU A 51 -8.189 6.036 -12.189 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.446 6.923 -11.392 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.889 5.757 -13.148 1.00 0.00 O ATOM 0 H GLU A 51 -6.246 4.006 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.269 3.589 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.360 4.937 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.292 6.290 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.102 5.631 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.061 4.194 -12.292 1.00 0.00 H new ATOM 836 N GLU A 52 -3.668 5.839 -9.244 1.00 0.00 N ATOM 837 CA GLU A 52 -2.432 6.671 -9.252 1.00 0.00 C ATOM 838 C GLU A 52 -1.278 5.871 -9.861 1.00 0.00 C ATOM 839 O GLU A 52 -0.319 6.427 -10.359 1.00 0.00 O ATOM 840 CB GLU A 52 -2.077 7.071 -7.819 1.00 0.00 C ATOM 841 CG GLU A 52 -2.270 8.579 -7.648 1.00 0.00 C ATOM 842 CD GLU A 52 -3.748 8.880 -7.399 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.539 8.651 -8.299 1.00 0.00 O ATOM 844 OE2 GLU A 52 -4.065 9.333 -6.311 1.00 0.00 O ATOM 0 H GLU A 52 -4.174 5.821 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.603 7.568 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.707 6.531 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.045 6.798 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.669 8.941 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.926 9.104 -8.540 1.00 0.00 H new ATOM 851 N LEU A 53 -1.363 4.570 -9.828 1.00 0.00 N ATOM 852 CA LEU A 53 -0.274 3.732 -10.406 1.00 0.00 C ATOM 853 C LEU A 53 -0.879 2.721 -11.382 1.00 0.00 C ATOM 854 O LEU A 53 -0.691 2.819 -12.578 1.00 0.00 O ATOM 855 CB LEU A 53 0.451 2.983 -9.285 1.00 0.00 C ATOM 856 CG LEU A 53 0.394 3.803 -7.995 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.976 2.983 -6.843 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.210 5.084 -8.170 1.00 0.00 C ATOM 0 H LEU A 53 -2.142 4.049 -9.425 1.00 0.00 H new ATOM 0 HA LEU A 53 0.436 4.372 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.011 2.008 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.488 2.803 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.642 4.058 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.935 3.567 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.396 2.069 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.012 2.728 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.170 5.669 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.246 4.828 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.797 5.669 -8.991 1.00 0.00 H new ATOM 870 N ASP A 54 -1.627 1.772 -10.869 1.00 0.00 N ATOM 871 CA ASP A 54 -2.287 0.751 -11.726 1.00 0.00 C ATOM 872 C ASP A 54 -1.419 0.465 -12.971 1.00 0.00 C ATOM 873 O ASP A 54 -0.211 0.576 -12.918 1.00 0.00 O ATOM 874 CB ASP A 54 -3.658 1.312 -12.089 1.00 0.00 C ATOM 875 CG ASP A 54 -4.584 0.199 -12.584 1.00 0.00 C ATOM 876 OD1 ASP A 54 -4.290 -0.953 -12.310 1.00 0.00 O ATOM 877 OD2 ASP A 54 -5.570 0.519 -13.226 1.00 0.00 O ATOM 0 H ASP A 54 -1.808 1.666 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.404 -0.203 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.099 1.799 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.552 2.074 -12.861 1.00 0.00 H new ATOM 882 N LYS A 55 -2.007 0.092 -14.083 1.00 0.00 N ATOM 883 CA LYS A 55 -1.197 -0.192 -15.304 1.00 0.00 C ATOM 884 C LYS A 55 -0.302 -1.412 -15.066 1.00 0.00 C ATOM 885 O LYS A 55 0.832 -1.452 -15.500 1.00 0.00 O ATOM 886 CB LYS A 55 -0.328 1.022 -15.653 1.00 0.00 C ATOM 887 CG LYS A 55 -1.159 2.031 -16.450 1.00 0.00 C ATOM 888 CD LYS A 55 -0.243 2.823 -17.388 1.00 0.00 C ATOM 889 CE LYS A 55 0.807 3.609 -16.562 1.00 0.00 C ATOM 890 NZ LYS A 55 1.380 4.696 -17.404 1.00 0.00 N ATOM 0 H LYS A 55 -3.014 -0.027 -14.195 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.874 -0.398 -16.133 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.051 1.485 -14.742 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.538 0.708 -16.235 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.925 1.512 -17.026 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.675 2.709 -15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.258 2.145 -18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.834 3.512 -17.991 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.344 4.030 -15.670 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.598 2.939 -16.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.085 5.226 -16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.835 4.282 -18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.620 5.340 -17.704 1.00 0.00 H new ATOM 904 N ASN A 56 -0.804 -2.413 -14.394 1.00 0.00 N ATOM 905 CA ASN A 56 0.017 -3.627 -14.148 1.00 0.00 C ATOM 906 C ASN A 56 -0.799 -4.856 -14.552 1.00 0.00 C ATOM 907 O ASN A 56 -0.281 -5.813 -15.090 1.00 0.00 O ATOM 908 CB ASN A 56 0.377 -3.706 -12.661 1.00 0.00 C ATOM 909 CG ASN A 56 1.724 -4.407 -12.495 1.00 0.00 C ATOM 910 OD1 ASN A 56 2.582 -3.944 -11.772 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.939 -5.516 -13.137 1.00 0.00 N ATOM 0 H ASN A 56 -1.747 -2.440 -14.006 1.00 0.00 H new ATOM 0 HA ASN A 56 0.936 -3.586 -14.732 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.422 -2.704 -12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.396 -4.249 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.831 -6.000 -13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.216 -5.902 -13.744 1.00 0.00 H new ATOM 918 N GLY A 57 -2.078 -4.833 -14.301 1.00 0.00 N ATOM 919 CA GLY A 57 -2.927 -5.996 -14.670 1.00 0.00 C ATOM 920 C GLY A 57 -2.559 -7.178 -13.785 1.00 0.00 C ATOM 921 O GLY A 57 -2.832 -8.320 -14.104 1.00 0.00 O ATOM 0 H GLY A 57 -2.571 -4.059 -13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.981 -5.747 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.780 -6.251 -15.719 1.00 0.00 H new ATOM 925 N ASP A 58 -1.960 -6.909 -12.663 1.00 0.00 N ATOM 926 CA ASP A 58 -1.592 -8.011 -11.736 1.00 0.00 C ATOM 927 C ASP A 58 -2.475 -7.912 -10.497 1.00 0.00 C ATOM 928 O ASP A 58 -2.455 -8.766 -9.633 1.00 0.00 O ATOM 929 CB ASP A 58 -0.124 -7.890 -11.322 1.00 0.00 C ATOM 930 CG ASP A 58 0.644 -9.127 -11.793 1.00 0.00 C ATOM 931 OD1 ASP A 58 0.368 -9.589 -12.886 1.00 0.00 O ATOM 932 OD2 ASP A 58 1.495 -9.589 -11.050 1.00 0.00 O ATOM 0 H ASP A 58 -1.709 -5.972 -12.347 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.736 -8.970 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.314 -6.991 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.048 -7.792 -10.239 1.00 0.00 H new ATOM 937 N GLY A 59 -3.252 -6.867 -10.403 1.00 0.00 N ATOM 938 CA GLY A 59 -4.135 -6.708 -9.220 1.00 0.00 C ATOM 939 C GLY A 59 -3.278 -6.485 -7.972 1.00 0.00 C ATOM 940 O GLY A 59 -3.764 -6.492 -6.860 1.00 0.00 O ATOM 0 H GLY A 59 -3.311 -6.120 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.810 -5.865 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.756 -7.595 -9.094 1.00 0.00 H new ATOM 944 N GLU A 60 -2.003 -6.279 -8.156 1.00 0.00 N ATOM 945 CA GLU A 60 -1.103 -6.042 -6.996 1.00 0.00 C ATOM 946 C GLU A 60 -0.271 -4.796 -7.292 1.00 0.00 C ATOM 947 O GLU A 60 -0.292 -4.284 -8.393 1.00 0.00 O ATOM 948 CB GLU A 60 -0.183 -7.253 -6.809 1.00 0.00 C ATOM 949 CG GLU A 60 0.786 -6.997 -5.655 1.00 0.00 C ATOM 950 CD GLU A 60 1.522 -8.293 -5.307 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.082 -8.894 -6.209 1.00 0.00 O ATOM 952 OE2 GLU A 60 1.514 -8.661 -4.143 1.00 0.00 O ATOM 0 H GLU A 60 -1.544 -6.265 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.682 -5.899 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.777 -8.144 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.373 -7.443 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.502 -6.223 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.242 -6.630 -4.784 1.00 0.00 H new ATOM 959 N VAL A 61 0.470 -4.299 -6.344 1.00 0.00 N ATOM 960 CA VAL A 61 1.287 -3.102 -6.630 1.00 0.00 C ATOM 961 C VAL A 61 2.748 -3.485 -6.435 1.00 0.00 C ATOM 962 O VAL A 61 3.075 -4.642 -6.306 1.00 0.00 O ATOM 963 CB VAL A 61 0.853 -1.941 -5.706 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.871 -1.696 -4.587 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.713 -0.665 -6.543 1.00 0.00 C ATOM 0 H VAL A 61 0.542 -4.668 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 61 1.147 -2.756 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.098 -2.210 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.530 -0.873 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.970 -2.597 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.838 -1.444 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.407 0.160 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.670 -0.428 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.038 -0.819 -7.318 1.00 0.00 H new ATOM 975 N SER A 62 3.625 -2.540 -6.415 1.00 0.00 N ATOM 976 CA SER A 62 5.058 -2.884 -6.233 1.00 0.00 C ATOM 977 C SER A 62 5.758 -1.744 -5.489 1.00 0.00 C ATOM 978 O SER A 62 5.207 -0.675 -5.319 1.00 0.00 O ATOM 979 CB SER A 62 5.702 -3.097 -7.608 1.00 0.00 C ATOM 980 OG SER A 62 5.071 -2.242 -8.561 1.00 0.00 O ATOM 0 H SER A 62 3.420 -1.546 -6.516 1.00 0.00 H new ATOM 0 HA SER A 62 5.154 -3.800 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.769 -2.882 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.600 -4.139 -7.913 1.00 0.00 H new ATOM 0 HG SER A 62 5.481 -2.374 -9.441 1.00 0.00 H new ATOM 986 N PHE A 63 6.966 -1.956 -5.048 1.00 0.00 N ATOM 987 CA PHE A 63 7.695 -0.878 -4.323 1.00 0.00 C ATOM 988 C PHE A 63 7.999 0.249 -5.313 1.00 0.00 C ATOM 989 O PHE A 63 8.188 1.390 -4.939 1.00 0.00 O ATOM 990 CB PHE A 63 9.003 -1.444 -3.762 1.00 0.00 C ATOM 991 CG PHE A 63 9.446 -0.672 -2.531 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.599 -0.560 -1.420 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.713 -0.075 -2.501 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.015 0.148 -0.286 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.129 0.633 -1.365 1.00 0.00 C ATOM 996 CZ PHE A 63 10.280 0.745 -0.259 1.00 0.00 C ATOM 0 H PHE A 63 7.481 -2.830 -5.158 1.00 0.00 H new ATOM 0 HA PHE A 63 7.091 -0.495 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.869 -2.495 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.780 -1.397 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.623 -1.021 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.370 -0.160 -3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.359 0.233 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.106 1.093 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.601 1.292 0.615 1.00 0.00 H new ATOM 1006 N GLU A 64 8.034 -0.068 -6.582 1.00 0.00 N ATOM 1007 CA GLU A 64 8.311 0.973 -7.613 1.00 0.00 C ATOM 1008 C GLU A 64 7.135 1.951 -7.657 1.00 0.00 C ATOM 1009 O GLU A 64 7.281 3.108 -7.994 1.00 0.00 O ATOM 1010 CB GLU A 64 8.475 0.302 -8.978 1.00 0.00 C ATOM 1011 CG GLU A 64 9.092 1.293 -9.965 1.00 0.00 C ATOM 1012 CD GLU A 64 10.491 0.816 -10.361 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.361 0.824 -9.507 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.666 0.449 -11.512 1.00 0.00 O ATOM 0 H GLU A 64 7.882 -1.008 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 64 9.226 1.511 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.110 -0.580 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.507 -0.039 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.462 1.381 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.148 2.284 -9.514 1.00 0.00 H new ATOM 1021 N GLU A 65 5.973 1.487 -7.288 1.00 0.00 N ATOM 1022 CA GLU A 65 4.771 2.372 -7.268 1.00 0.00 C ATOM 1023 C GLU A 65 4.451 2.695 -5.808 1.00 0.00 C ATOM 1024 O GLU A 65 3.638 3.545 -5.500 1.00 0.00 O ATOM 1025 CB GLU A 65 3.577 1.650 -7.907 1.00 0.00 C ATOM 1026 CG GLU A 65 4.073 0.562 -8.863 1.00 0.00 C ATOM 1027 CD GLU A 65 4.719 1.209 -10.088 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.479 2.148 -9.907 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.445 0.758 -11.187 1.00 0.00 O ATOM 0 H GLU A 65 5.802 0.525 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 65 4.966 3.285 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.952 1.207 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.956 2.365 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.793 -0.080 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.242 -0.072 -9.170 1.00 0.00 H new ATOM 1036 N PHE A 66 5.108 2.012 -4.912 1.00 0.00 N ATOM 1037 CA PHE A 66 4.900 2.234 -3.458 1.00 0.00 C ATOM 1038 C PHE A 66 5.766 3.415 -3.006 1.00 0.00 C ATOM 1039 O PHE A 66 5.908 3.683 -1.830 1.00 0.00 O ATOM 1040 CB PHE A 66 5.351 0.965 -2.735 1.00 0.00 C ATOM 1041 CG PHE A 66 4.637 0.821 -1.413 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.292 0.439 -1.385 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.317 1.076 -0.218 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.622 0.321 -0.163 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.647 0.953 1.002 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.301 0.579 1.030 1.00 0.00 C ATOM 0 H PHE A 66 5.796 1.293 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 66 3.855 2.452 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.150 0.094 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.428 0.998 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.770 0.235 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.357 1.367 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.582 0.031 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.171 1.148 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.785 0.489 1.975 1.00 0.00 H new ATOM 1056 N GLN A 67 6.349 4.119 -3.939 1.00 0.00 N ATOM 1057 CA GLN A 67 7.216 5.286 -3.577 1.00 0.00 C ATOM 1058 C GLN A 67 6.349 6.500 -3.326 1.00 0.00 C ATOM 1059 O GLN A 67 6.654 7.338 -2.505 1.00 0.00 O ATOM 1060 CB GLN A 67 8.214 5.584 -4.692 1.00 0.00 C ATOM 1061 CG GLN A 67 8.964 4.309 -5.076 1.00 0.00 C ATOM 1062 CD GLN A 67 10.064 3.995 -4.038 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.020 4.736 -3.930 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.984 2.927 -3.262 1.00 0.00 N ATOM 0 H GLN A 67 6.264 3.939 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 67 7.774 5.041 -2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.692 5.985 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.920 6.347 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.266 3.474 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.410 4.426 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.186 2.297 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.720 2.734 -2.583 1.00 0.00 H new ATOM 1073 N VAL A 68 5.269 6.599 -4.024 1.00 0.00 N ATOM 1074 CA VAL A 68 4.361 7.755 -3.809 1.00 0.00 C ATOM 1075 C VAL A 68 3.845 7.689 -2.367 1.00 0.00 C ATOM 1076 O VAL A 68 3.667 8.690 -1.705 1.00 0.00 O ATOM 1077 CB VAL A 68 3.194 7.671 -4.786 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.512 9.035 -4.874 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.725 7.269 -6.164 1.00 0.00 C ATOM 0 H VAL A 68 4.969 5.933 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 68 4.888 8.695 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 68 2.473 6.929 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.677 8.980 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.144 9.322 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.228 9.778 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.896 7.207 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.441 8.015 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.217 6.299 -6.095 1.00 0.00 H new ATOM 1089 N LEU A 69 3.637 6.495 -1.880 1.00 0.00 N ATOM 1090 CA LEU A 69 3.164 6.299 -0.474 1.00 0.00 C ATOM 1091 C LEU A 69 4.316 6.593 0.471 1.00 0.00 C ATOM 1092 O LEU A 69 4.147 6.679 1.667 1.00 0.00 O ATOM 1093 CB LEU A 69 2.808 4.821 -0.289 1.00 0.00 C ATOM 1094 CG LEU A 69 1.391 4.600 0.281 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.500 4.332 1.776 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.491 5.819 0.058 1.00 0.00 C ATOM 0 H LEU A 69 3.777 5.631 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 69 2.311 6.948 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.889 4.312 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.536 4.360 0.378 1.00 0.00 H new ATOM 0 HG LEU A 69 0.944 3.752 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.504 4.174 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.108 3.443 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.966 5.187 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.497 5.623 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.926 6.688 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.403 6.015 -1.011 1.00 0.00 H new ATOM 1108 N VAL A 70 5.496 6.695 -0.051 1.00 0.00 N ATOM 1109 CA VAL A 70 6.660 6.940 0.824 1.00 0.00 C ATOM 1110 C VAL A 70 6.426 8.224 1.624 1.00 0.00 C ATOM 1111 O VAL A 70 6.692 8.292 2.806 1.00 0.00 O ATOM 1112 CB VAL A 70 7.930 7.071 -0.033 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.030 8.483 -0.619 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.163 6.802 0.829 1.00 0.00 C ATOM 0 H VAL A 70 5.705 6.619 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 70 6.787 6.106 1.514 1.00 0.00 H new ATOM 0 HB VAL A 70 7.879 6.345 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.933 8.563 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.158 8.681 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.070 9.211 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.061 6.896 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.202 7.524 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.107 5.794 1.240 1.00 0.00 H new ATOM 1124 N LYS A 71 5.906 9.244 0.993 1.00 0.00 N ATOM 1125 CA LYS A 71 5.644 10.515 1.726 1.00 0.00 C ATOM 1126 C LYS A 71 4.301 10.411 2.453 1.00 0.00 C ATOM 1127 O LYS A 71 3.643 11.401 2.705 1.00 0.00 O ATOM 1128 CB LYS A 71 5.612 11.685 0.737 1.00 0.00 C ATOM 1129 CG LYS A 71 4.291 11.680 -0.037 1.00 0.00 C ATOM 1130 CD LYS A 71 4.480 12.418 -1.363 1.00 0.00 C ATOM 1131 CE LYS A 71 3.114 12.798 -1.937 1.00 0.00 C ATOM 1132 NZ LYS A 71 2.988 12.247 -3.316 1.00 0.00 N ATOM 0 H LYS A 71 5.653 9.251 0.005 1.00 0.00 H new ATOM 0 HA LYS A 71 6.437 10.688 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.726 12.628 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.450 11.609 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.968 10.655 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.509 12.160 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.083 13.313 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.020 11.786 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.319 12.407 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.003 13.882 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.060 12.504 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.740 12.641 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.076 11.211 -3.285 1.00 0.00 H new ATOM 1146 N LYS A 72 3.892 9.220 2.793 1.00 0.00 N ATOM 1147 CA LYS A 72 2.609 9.045 3.501 1.00 0.00 C ATOM 1148 C LYS A 72 2.882 8.453 4.889 1.00 0.00 C ATOM 1149 O LYS A 72 1.977 8.239 5.670 1.00 0.00 O ATOM 1150 CB LYS A 72 1.706 8.103 2.705 1.00 0.00 C ATOM 1151 CG LYS A 72 0.724 8.932 1.879 1.00 0.00 C ATOM 1152 CD LYS A 72 1.497 9.909 0.990 1.00 0.00 C ATOM 1153 CE LYS A 72 0.692 10.189 -0.281 1.00 0.00 C ATOM 1154 NZ LYS A 72 -0.509 11.005 0.060 1.00 0.00 N ATOM 0 H LYS A 72 4.402 8.357 2.605 1.00 0.00 H new ATOM 0 HA LYS A 72 2.111 10.009 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.306 7.470 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.164 7.441 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.106 8.277 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.050 9.480 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.682 10.839 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.470 9.491 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.310 10.718 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.388 9.251 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.029 11.238 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.127 10.464 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.210 11.883 0.530 1.00 0.00 H new ATOM 1168 N ILE A 73 4.129 8.175 5.200 1.00 0.00 N ATOM 1169 CA ILE A 73 4.448 7.586 6.531 1.00 0.00 C ATOM 1170 C ILE A 73 4.948 8.619 7.483 1.00 0.00 C ATOM 1171 O ILE A 73 4.597 8.647 8.647 1.00 0.00 O ATOM 1172 CB ILE A 73 5.636 6.646 6.431 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.759 6.085 5.040 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.492 5.553 7.461 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.443 5.430 4.630 1.00 0.00 C ATOM 0 H ILE A 73 4.931 8.332 4.590 1.00 0.00 H new ATOM 0 HA ILE A 73 3.525 7.107 6.858 1.00 0.00 H new ATOM 0 HB ILE A 73 6.554 7.197 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.015 6.879 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.567 5.354 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.343 4.875 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.458 5.994 8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.571 4.999 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.536 5.025 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.206 4.624 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.645 6.172 4.650 1.00 0.00 H new ATOM 1187 N SER A 74 5.891 9.368 7.023 1.00 0.00 N ATOM 1188 CA SER A 74 6.561 10.289 7.923 1.00 0.00 C ATOM 1189 C SER A 74 5.550 10.982 8.843 1.00 0.00 C ATOM 1190 O SER A 74 5.701 10.999 10.048 1.00 0.00 O ATOM 1191 CB SER A 74 7.350 11.330 7.129 1.00 0.00 C ATOM 1192 OG SER A 74 8.533 11.669 7.843 1.00 0.00 O ATOM 0 H SER A 74 6.221 9.375 6.058 1.00 0.00 H new ATOM 0 HA SER A 74 7.254 9.718 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.606 10.937 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.741 12.220 6.968 1.00 0.00 H new ATOM 0 HG SER A 74 9.298 11.198 7.451 1.00 0.00 H new ATOM 1198 N GLN A 75 4.518 11.551 8.280 1.00 0.00 N ATOM 1199 CA GLN A 75 3.497 12.241 9.118 1.00 0.00 C ATOM 1200 C GLN A 75 2.100 11.751 8.730 1.00 0.00 C ATOM 1201 O GLN A 75 2.014 10.890 7.870 1.00 0.00 O ATOM 1202 CB GLN A 75 3.592 13.750 8.890 1.00 0.00 C ATOM 1203 CG GLN A 75 4.908 14.269 9.470 1.00 0.00 C ATOM 1204 CD GLN A 75 4.665 15.597 10.188 1.00 0.00 C ATOM 1205 OE1 GLN A 75 3.649 16.232 9.988 1.00 0.00 O ATOM 1206 NE2 GLN A 75 5.563 16.046 11.021 1.00 0.00 N ATOM 1207 OXT GLN A 75 1.141 12.245 9.299 1.00 0.00 O ATOM 0 H GLN A 75 4.338 11.567 7.276 1.00 0.00 H new ATOM 0 HA GLN A 75 3.677 12.019 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.539 13.972 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.749 14.254 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.323 13.539 10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.640 14.403 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.416 15.512 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.412 16.931 11.505 1.00 0.00 H new TER 1216 GLN A 75