USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 40 ASN : amide:sc= 1 K(o=1.3,f=0.35) USER MOD Set 1.2: A 43 SER OG : rot -102:sc= 0.252 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 175:sc= 0.627 (180deg=-0.00963) USER MOD Set 2.2: A 27 GLN : amide:sc= 1.48 K(o=2.9,f=-2.2) USER MOD Set 2.3: A 44 GLN : amide:sc= 0.793 K(o=2.9,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= 0.985 K(o=0.99,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0.927 (180deg=0.91) USER MOD Single : A 15 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 18 GLN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 34 MET CE :methyl 173:sc= -2.44 (180deg=-2.59!) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.1) USER MOD Single : A 38 TYR OH : rot 68:sc= 1.13 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 46 THR OG1 : rot 175:sc= 1.89 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4) USER MOD Single : A 60 MET CE :methyl 140:sc= -1.36 (180deg=-4.54!) USER MOD Single : A 61 CYS SG : rot -16:sc= 0.196 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 0.372 (180deg=0.254) USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 0.651 (180deg=-0.202) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 72 ASN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 1.448 4.476 -0.582 1.00 0.00 N ATOM 2 CA ASP A 5 2.580 4.235 -1.465 1.00 0.00 C ATOM 3 C ASP A 5 3.878 4.720 -0.820 1.00 0.00 C ATOM 4 O ASP A 5 4.907 4.061 -0.927 1.00 0.00 O ATOM 5 CB ASP A 5 2.341 4.933 -2.807 1.00 0.00 C ATOM 6 CG ASP A 5 3.556 4.816 -3.724 1.00 0.00 C ATOM 7 OD1 ASP A 5 3.976 3.667 -3.979 1.00 0.00 O ATOM 8 OD2 ASP A 5 4.048 5.883 -4.147 1.00 0.00 O ATOM 0 HA ASP A 5 2.676 3.163 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.471 4.495 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.114 5.985 -2.635 1.00 0.00 H new ATOM 15 N LEU A 6 3.822 5.868 -0.138 1.00 0.00 N ATOM 16 CA LEU A 6 4.956 6.527 0.499 1.00 0.00 C ATOM 17 C LEU A 6 5.829 5.545 1.289 1.00 0.00 C ATOM 18 O LEU A 6 7.054 5.642 1.243 1.00 0.00 O ATOM 19 CB LEU A 6 4.454 7.658 1.409 1.00 0.00 C ATOM 20 CG LEU A 6 4.112 8.941 0.635 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.910 8.798 -0.307 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.832 10.072 1.633 1.00 0.00 C ATOM 0 H LEU A 6 2.949 6.380 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 6 5.584 6.945 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.570 7.318 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.216 7.882 2.156 1.00 0.00 H new ATOM 0 HG LEU A 6 4.976 9.163 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.732 9.745 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.116 8.022 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.026 8.525 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.589 10.985 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.993 9.795 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.715 10.241 2.249 1.00 0.00 H new ATOM 34 N GLU A 7 5.200 4.594 1.990 1.00 0.00 N ATOM 35 CA GLU A 7 5.882 3.518 2.699 1.00 0.00 C ATOM 36 C GLU A 7 6.978 2.885 1.829 1.00 0.00 C ATOM 37 O GLU A 7 8.111 2.704 2.274 1.00 0.00 O ATOM 38 CB GLU A 7 4.852 2.474 3.151 1.00 0.00 C ATOM 39 CG GLU A 7 5.483 1.418 4.069 1.00 0.00 C ATOM 40 CD GLU A 7 4.439 0.418 4.551 1.00 0.00 C ATOM 41 OE1 GLU A 7 4.223 -0.573 3.822 1.00 0.00 O ATOM 42 OE2 GLU A 7 3.866 0.672 5.633 1.00 0.00 O ATOM 0 H GLU A 7 4.185 4.555 2.079 1.00 0.00 H new ATOM 0 HA GLU A 7 6.376 3.929 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.035 2.971 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.420 1.986 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.275 0.893 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.947 1.907 4.926 1.00 0.00 H new ATOM 49 N GLU A 8 6.646 2.566 0.577 1.00 0.00 N ATOM 50 CA GLU A 8 7.588 1.978 -0.359 1.00 0.00 C ATOM 51 C GLU A 8 8.790 2.905 -0.538 1.00 0.00 C ATOM 52 O GLU A 8 9.924 2.449 -0.477 1.00 0.00 O ATOM 53 CB GLU A 8 6.897 1.683 -1.698 1.00 0.00 C ATOM 54 CG GLU A 8 5.708 0.724 -1.536 1.00 0.00 C ATOM 55 CD GLU A 8 4.980 0.502 -2.858 1.00 0.00 C ATOM 56 OE1 GLU A 8 5.681 0.203 -3.849 1.00 0.00 O ATOM 57 OE2 GLU A 8 3.736 0.626 -2.849 1.00 0.00 O ATOM 0 H GLU A 8 5.714 2.711 0.189 1.00 0.00 H new ATOM 0 HA GLU A 8 7.949 1.030 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.551 2.617 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.619 1.251 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.061 -0.232 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.012 1.128 -0.800 1.00 0.00 H new ATOM 64 N LEU A 9 8.552 4.200 -0.753 1.00 0.00 N ATOM 65 CA LEU A 9 9.588 5.196 -0.976 1.00 0.00 C ATOM 66 C LEU A 9 10.485 5.359 0.252 1.00 0.00 C ATOM 67 O LEU A 9 11.703 5.270 0.110 1.00 0.00 O ATOM 68 CB LEU A 9 8.945 6.526 -1.401 1.00 0.00 C ATOM 69 CG LEU A 9 8.331 6.506 -2.814 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.185 5.513 -3.032 1.00 0.00 C ATOM 71 CD2 LEU A 9 7.796 7.903 -3.138 1.00 0.00 C ATOM 0 H LEU A 9 7.609 4.589 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 9 10.235 4.855 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.168 6.787 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.699 7.312 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 9 9.142 6.184 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.831 5.586 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.540 4.500 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.367 5.745 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.358 7.903 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.035 8.179 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.613 8.623 -3.100 1.00 0.00 H new ATOM 83 N GLU A 10 9.930 5.589 1.448 1.00 0.00 N ATOM 84 CA GLU A 10 10.781 5.718 2.633 1.00 0.00 C ATOM 85 C GLU A 10 11.570 4.430 2.884 1.00 0.00 C ATOM 86 O GLU A 10 12.790 4.465 3.029 1.00 0.00 O ATOM 87 CB GLU A 10 10.020 6.136 3.901 1.00 0.00 C ATOM 88 CG GLU A 10 8.563 5.679 3.981 1.00 0.00 C ATOM 89 CD GLU A 10 8.089 5.557 5.423 1.00 0.00 C ATOM 90 OE1 GLU A 10 8.343 4.478 6.006 1.00 0.00 O ATOM 91 OE2 GLU A 10 7.489 6.537 5.914 1.00 0.00 O ATOM 0 H GLU A 10 8.929 5.687 1.618 1.00 0.00 H new ATOM 0 HA GLU A 10 11.474 6.530 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.552 5.744 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.045 7.223 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.929 6.388 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.455 4.717 3.480 1.00 0.00 H new ATOM 98 N GLN A 11 10.884 3.289 2.961 1.00 0.00 N ATOM 99 CA GLN A 11 11.557 2.023 3.224 1.00 0.00 C ATOM 100 C GLN A 11 12.593 1.716 2.134 1.00 0.00 C ATOM 101 O GLN A 11 13.707 1.291 2.440 1.00 0.00 O ATOM 102 CB GLN A 11 10.539 0.891 3.412 1.00 0.00 C ATOM 103 CG GLN A 11 9.600 1.137 4.608 1.00 0.00 C ATOM 104 CD GLN A 11 10.349 1.308 5.927 1.00 0.00 C ATOM 105 OE1 GLN A 11 11.208 0.504 6.268 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.048 2.361 6.682 1.00 0.00 N ATOM 0 H GLN A 11 9.873 3.218 2.846 1.00 0.00 H new ATOM 0 HA GLN A 11 12.107 2.108 4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.946 0.785 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.069 -0.050 3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.003 2.029 4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.906 0.301 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.329 3.018 6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.536 2.512 7.565 1.00 0.00 H new ATOM 115 N PHE A 12 12.266 1.980 0.866 1.00 0.00 N ATOM 116 CA PHE A 12 13.235 1.922 -0.221 1.00 0.00 C ATOM 117 C PHE A 12 14.433 2.809 0.101 1.00 0.00 C ATOM 118 O PHE A 12 15.561 2.344 0.021 1.00 0.00 O ATOM 119 CB PHE A 12 12.609 2.320 -1.561 1.00 0.00 C ATOM 120 CG PHE A 12 13.617 2.543 -2.672 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.170 1.449 -3.363 1.00 0.00 C ATOM 122 CD2 PHE A 12 14.124 3.836 -2.896 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.172 1.660 -4.327 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.142 4.040 -3.845 1.00 0.00 C ATOM 125 CZ PHE A 12 15.613 2.963 -4.614 1.00 0.00 C ATOM 0 H PHE A 12 11.325 2.239 0.569 1.00 0.00 H new ATOM 0 HA PHE A 12 13.572 0.890 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.911 1.542 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.029 3.232 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.825 0.447 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.731 4.673 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.604 0.818 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.562 5.026 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.310 3.135 -5.421 1.00 0.00 H new ATOM 135 N ALA A 13 14.215 4.071 0.469 1.00 0.00 N ATOM 136 CA ALA A 13 15.307 4.971 0.820 1.00 0.00 C ATOM 137 C ALA A 13 16.186 4.393 1.941 1.00 0.00 C ATOM 138 O ALA A 13 17.413 4.385 1.830 1.00 0.00 O ATOM 139 CB ALA A 13 14.756 6.347 1.188 1.00 0.00 C ATOM 0 H ALA A 13 13.288 4.492 0.531 1.00 0.00 H new ATOM 0 HA ALA A 13 15.951 5.081 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.580 7.011 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.212 6.760 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.082 6.253 2.040 1.00 0.00 H new ATOM 145 N LYS A 14 15.571 3.880 3.011 1.00 0.00 N ATOM 146 CA LYS A 14 16.286 3.205 4.094 1.00 0.00 C ATOM 147 C LYS A 14 17.085 2.008 3.564 1.00 0.00 C ATOM 148 O LYS A 14 18.217 1.758 3.982 1.00 0.00 O ATOM 149 CB LYS A 14 15.303 2.762 5.184 1.00 0.00 C ATOM 150 CG LYS A 14 14.648 3.965 5.874 1.00 0.00 C ATOM 151 CD LYS A 14 13.656 3.475 6.933 1.00 0.00 C ATOM 152 CE LYS A 14 12.822 4.625 7.508 1.00 0.00 C ATOM 153 NZ LYS A 14 13.653 5.624 8.204 1.00 0.00 N ATOM 0 H LYS A 14 14.561 3.922 3.149 1.00 0.00 H new ATOM 0 HA LYS A 14 16.993 3.911 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.532 2.129 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.827 2.158 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.411 4.590 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.134 4.583 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.993 2.730 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.199 2.982 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.272 5.111 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.083 4.224 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.040 6.346 8.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.210 5.155 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.296 6.076 7.523 1.00 0.00 H new ATOM 167 N THR A 15 16.500 1.246 2.642 1.00 0.00 N ATOM 168 CA THR A 15 17.194 0.147 1.985 1.00 0.00 C ATOM 169 C THR A 15 18.376 0.693 1.177 1.00 0.00 C ATOM 170 O THR A 15 19.477 0.152 1.227 1.00 0.00 O ATOM 171 CB THR A 15 16.218 -0.672 1.128 1.00 0.00 C ATOM 172 OG1 THR A 15 15.097 -1.045 1.905 1.00 0.00 O ATOM 173 CG2 THR A 15 16.864 -1.956 0.605 1.00 0.00 C ATOM 0 H THR A 15 15.537 1.374 2.332 1.00 0.00 H new ATOM 0 HA THR A 15 17.596 -0.535 2.734 1.00 0.00 H new ATOM 0 HB THR A 15 15.926 -0.045 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.536 -0.258 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.142 -2.508 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.730 -1.704 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.182 -2.572 1.446 1.00 0.00 H new ATOM 181 N PHE A 16 18.161 1.788 0.449 1.00 0.00 N ATOM 182 CA PHE A 16 19.149 2.412 -0.409 1.00 0.00 C ATOM 183 C PHE A 16 20.353 2.862 0.415 1.00 0.00 C ATOM 184 O PHE A 16 21.484 2.585 0.029 1.00 0.00 O ATOM 185 CB PHE A 16 18.513 3.553 -1.216 1.00 0.00 C ATOM 186 CG PHE A 16 19.472 4.165 -2.211 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.639 3.558 -3.467 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.308 5.231 -1.828 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.655 3.999 -4.329 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.323 5.674 -2.695 1.00 0.00 C ATOM 191 CZ PHE A 16 21.504 5.050 -3.940 1.00 0.00 C ATOM 0 H PHE A 16 17.265 2.275 0.445 1.00 0.00 H new ATOM 0 HA PHE A 16 19.516 1.685 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.638 3.175 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.163 4.326 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.986 2.753 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 16 20.170 5.708 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.785 3.530 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.963 6.494 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.295 5.377 -4.598 1.00 0.00 H new ATOM 201 N LYS A 17 20.125 3.502 1.569 1.00 0.00 N ATOM 202 CA LYS A 17 21.194 3.790 2.524 1.00 0.00 C ATOM 203 C LYS A 17 22.022 2.526 2.792 1.00 0.00 C ATOM 204 O LYS A 17 23.246 2.541 2.678 1.00 0.00 O ATOM 205 CB LYS A 17 20.613 4.320 3.844 1.00 0.00 C ATOM 206 CG LYS A 17 20.038 5.740 3.773 1.00 0.00 C ATOM 207 CD LYS A 17 21.131 6.814 3.858 1.00 0.00 C ATOM 208 CE LYS A 17 20.514 8.204 4.056 1.00 0.00 C ATOM 209 NZ LYS A 17 21.548 9.215 4.352 1.00 0.00 N ATOM 0 H LYS A 17 19.205 3.830 1.861 1.00 0.00 H new ATOM 0 HA LYS A 17 21.839 4.555 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.827 3.642 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 17 21.395 4.298 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.485 5.860 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.327 5.883 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.805 6.589 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.730 6.803 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.967 8.492 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 17 19.792 8.170 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.110 10.157 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.995 8.997 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.269 9.204 3.603 1.00 0.00 H new ATOM 223 N GLN A 18 21.362 1.421 3.147 1.00 0.00 N ATOM 224 CA GLN A 18 22.058 0.173 3.435 1.00 0.00 C ATOM 225 C GLN A 18 22.859 -0.310 2.220 1.00 0.00 C ATOM 226 O GLN A 18 24.044 -0.601 2.351 1.00 0.00 O ATOM 227 CB GLN A 18 21.072 -0.883 3.947 1.00 0.00 C ATOM 228 CG GLN A 18 20.556 -0.504 5.341 1.00 0.00 C ATOM 229 CD GLN A 18 19.300 -1.291 5.687 1.00 0.00 C ATOM 230 OE1 GLN A 18 19.375 -2.397 6.212 1.00 0.00 O ATOM 231 NE2 GLN A 18 18.137 -0.729 5.381 1.00 0.00 N ATOM 0 H GLN A 18 20.348 1.369 3.241 1.00 0.00 H new ATOM 0 HA GLN A 18 22.783 0.352 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.235 -0.973 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.560 -1.857 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.329 -0.699 6.085 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.342 0.564 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.115 0.193 4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.265 -1.219 5.582 1.00 0.00 H new ATOM 240 N ARG A 19 22.240 -0.392 1.038 1.00 0.00 N ATOM 241 CA ARG A 19 22.940 -0.814 -0.175 1.00 0.00 C ATOM 242 C ARG A 19 24.162 0.072 -0.427 1.00 0.00 C ATOM 243 O ARG A 19 25.263 -0.427 -0.647 1.00 0.00 O ATOM 244 CB ARG A 19 22.002 -0.808 -1.393 1.00 0.00 C ATOM 245 CG ARG A 19 20.799 -1.754 -1.263 1.00 0.00 C ATOM 246 CD ARG A 19 21.187 -3.238 -1.210 1.00 0.00 C ATOM 247 NE ARG A 19 20.019 -4.082 -0.926 1.00 0.00 N ATOM 248 CZ ARG A 19 19.471 -4.249 0.287 1.00 0.00 C ATOM 249 NH1 ARG A 19 19.938 -3.571 1.343 1.00 0.00 N ATOM 250 NH2 ARG A 19 18.450 -5.099 0.438 1.00 0.00 N ATOM 0 H ARG A 19 21.254 -0.171 0.897 1.00 0.00 H new ATOM 0 HA ARG A 19 23.281 -1.838 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.637 0.207 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.573 -1.084 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.244 -1.500 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.128 -1.593 -2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.631 -3.535 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.945 -3.391 -0.442 1.00 0.00 H new ATOM 0 HE ARG A 19 19.593 -4.578 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.716 -2.922 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.516 -3.704 2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.093 -5.615 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.028 -5.231 1.357 1.00 0.00 H new ATOM 264 N ARG A 20 23.976 1.388 -0.367 1.00 0.00 N ATOM 265 CA ARG A 20 25.035 2.373 -0.501 1.00 0.00 C ATOM 266 C ARG A 20 26.179 2.074 0.480 1.00 0.00 C ATOM 267 O ARG A 20 27.350 2.080 0.095 1.00 0.00 O ATOM 268 CB ARG A 20 24.424 3.763 -0.282 1.00 0.00 C ATOM 269 CG ARG A 20 25.470 4.862 -0.448 1.00 0.00 C ATOM 270 CD ARG A 20 24.964 6.223 0.035 1.00 0.00 C ATOM 271 NE ARG A 20 24.505 6.195 1.431 1.00 0.00 N ATOM 272 CZ ARG A 20 25.282 6.092 2.522 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.611 5.989 2.427 1.00 0.00 N ATOM 274 NH2 ARG A 20 24.709 6.093 3.729 1.00 0.00 N ATOM 0 H ARG A 20 23.057 1.806 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 20 25.472 2.335 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.612 3.921 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.990 3.819 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.368 4.593 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.754 4.934 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.761 6.959 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.145 6.550 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 20 23.499 6.260 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.058 5.987 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.178 5.912 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.695 6.171 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.285 6.016 4.567 1.00 0.00 H new ATOM 288 N ILE A 21 25.844 1.817 1.748 1.00 0.00 N ATOM 289 CA ILE A 21 26.824 1.446 2.760 1.00 0.00 C ATOM 290 C ILE A 21 27.541 0.155 2.351 1.00 0.00 C ATOM 291 O ILE A 21 28.768 0.109 2.405 1.00 0.00 O ATOM 292 CB ILE A 21 26.170 1.379 4.155 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.812 2.807 4.613 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.106 0.725 5.184 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.799 2.830 5.762 1.00 0.00 C ATOM 0 H ILE A 21 24.886 1.862 2.096 1.00 0.00 H new ATOM 0 HA ILE A 21 27.592 2.217 2.830 1.00 0.00 H new ATOM 0 HB ILE A 21 25.270 0.768 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.721 3.321 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.407 3.363 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.613 0.694 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.344 -0.290 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.025 1.306 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.587 3.863 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.877 2.343 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.211 2.300 6.621 1.00 0.00 H new ATOM 307 N LYS A 22 26.819 -0.880 1.909 1.00 0.00 N ATOM 308 CA LYS A 22 27.444 -2.115 1.431 1.00 0.00 C ATOM 309 C LYS A 22 28.401 -1.839 0.262 1.00 0.00 C ATOM 310 O LYS A 22 29.491 -2.403 0.217 1.00 0.00 O ATOM 311 CB LYS A 22 26.394 -3.177 1.059 1.00 0.00 C ATOM 312 CG LYS A 22 25.979 -4.070 2.240 1.00 0.00 C ATOM 313 CD LYS A 22 25.101 -3.345 3.265 1.00 0.00 C ATOM 314 CE LYS A 22 24.762 -4.269 4.438 1.00 0.00 C ATOM 315 NZ LYS A 22 23.901 -3.588 5.422 1.00 0.00 N ATOM 0 H LYS A 22 25.800 -0.886 1.873 1.00 0.00 H new ATOM 0 HA LYS A 22 28.034 -2.520 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.509 -2.679 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.791 -3.805 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.441 -4.938 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 22 26.874 -4.443 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.618 -2.458 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 24.183 -3.003 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.259 -5.162 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.681 -4.599 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.688 -4.238 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.393 -2.750 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.014 -3.295 4.964 1.00 0.00 H new ATOM 329 N LEU A 23 28.022 -0.957 -0.669 1.00 0.00 N ATOM 330 CA LEU A 23 28.906 -0.523 -1.751 1.00 0.00 C ATOM 331 C LEU A 23 30.107 0.284 -1.229 1.00 0.00 C ATOM 332 O LEU A 23 31.047 0.532 -1.980 1.00 0.00 O ATOM 333 CB LEU A 23 28.125 0.303 -2.789 1.00 0.00 C ATOM 334 CG LEU A 23 27.034 -0.471 -3.550 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.188 0.513 -4.366 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.636 -1.515 -4.500 1.00 0.00 C ATOM 0 H LEU A 23 27.098 -0.527 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 23 29.295 -1.423 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.662 1.150 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.831 0.711 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 23 26.419 -0.991 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.414 -0.033 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.722 1.235 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.825 1.038 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.834 -2.040 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.275 -1.017 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.227 -2.230 -3.928 1.00 0.00 H new ATOM 348 N GLY A 24 30.086 0.723 0.033 1.00 0.00 N ATOM 349 CA GLY A 24 31.107 1.587 0.605 1.00 0.00 C ATOM 350 C GLY A 24 31.063 2.974 -0.033 1.00 0.00 C ATOM 351 O GLY A 24 32.079 3.662 -0.102 1.00 0.00 O ATOM 0 H GLY A 24 29.345 0.481 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.957 1.672 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 24 32.091 1.144 0.454 1.00 0.00 H new ATOM 355 N PHE A 25 29.887 3.390 -0.510 1.00 0.00 N ATOM 356 CA PHE A 25 29.733 4.636 -1.242 1.00 0.00 C ATOM 357 C PHE A 25 29.450 5.759 -0.255 1.00 0.00 C ATOM 358 O PHE A 25 28.395 5.813 0.371 1.00 0.00 O ATOM 359 CB PHE A 25 28.640 4.478 -2.300 1.00 0.00 C ATOM 360 CG PHE A 25 29.061 3.800 -3.593 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.291 3.123 -3.720 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.206 3.888 -4.705 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.629 2.493 -4.930 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.547 3.265 -5.918 1.00 0.00 C ATOM 365 CZ PHE A 25 29.753 2.554 -6.026 1.00 0.00 C ATOM 0 H PHE A 25 29.018 2.868 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 25 30.650 4.893 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.819 3.908 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.249 5.467 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.975 3.088 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.280 4.438 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.565 1.961 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.882 3.333 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.006 2.055 -6.950 1.00 0.00 H new ATOM 375 N THR A 26 30.387 6.693 -0.138 1.00 0.00 N ATOM 376 CA THR A 26 30.444 7.718 0.887 1.00 0.00 C ATOM 377 C THR A 26 29.468 8.878 0.631 1.00 0.00 C ATOM 378 O THR A 26 29.794 10.025 0.924 1.00 0.00 O ATOM 379 CB THR A 26 31.908 8.185 0.891 1.00 0.00 C ATOM 380 OG1 THR A 26 32.277 8.487 -0.445 1.00 0.00 O ATOM 381 CG2 THR A 26 32.825 7.056 1.380 1.00 0.00 C ATOM 0 H THR A 26 31.167 6.755 -0.793 1.00 0.00 H new ATOM 0 HA THR A 26 30.134 7.326 1.856 1.00 0.00 H new ATOM 0 HB THR A 26 32.007 9.051 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 26 33.209 8.789 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 26 33.859 7.400 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.540 6.769 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.728 6.196 0.718 1.00 0.00 H new ATOM 389 N GLN A 27 28.283 8.590 0.077 1.00 0.00 N ATOM 390 CA GLN A 27 27.285 9.547 -0.393 1.00 0.00 C ATOM 391 C GLN A 27 27.807 10.411 -1.550 1.00 0.00 C ATOM 392 O GLN A 27 27.242 10.367 -2.638 1.00 0.00 O ATOM 393 CB GLN A 27 26.684 10.366 0.756 1.00 0.00 C ATOM 394 CG GLN A 27 25.970 9.471 1.777 1.00 0.00 C ATOM 395 CD GLN A 27 25.123 10.262 2.768 1.00 0.00 C ATOM 396 OE1 GLN A 27 23.935 9.992 2.925 1.00 0.00 O ATOM 397 NE2 GLN A 27 25.706 11.245 3.446 1.00 0.00 N ATOM 0 H GLN A 27 27.982 7.625 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 27 26.459 8.970 -0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 27 27.474 10.928 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 27 25.979 11.094 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 27 25.334 8.761 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 27 26.712 8.889 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 27 26.694 11.450 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 27 25.165 11.794 4.114 1.00 0.00 H new ATOM 406 N GLY A 28 28.905 11.144 -1.356 1.00 0.00 N ATOM 407 CA GLY A 28 29.616 11.844 -2.418 1.00 0.00 C ATOM 408 C GLY A 28 29.818 10.956 -3.648 1.00 0.00 C ATOM 409 O GLY A 28 29.625 11.408 -4.773 1.00 0.00 O ATOM 0 H GLY A 28 29.330 11.268 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 28 29.058 12.737 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 28 30.585 12.178 -2.048 1.00 0.00 H new ATOM 413 N ASP A 29 30.164 9.679 -3.439 1.00 0.00 N ATOM 414 CA ASP A 29 30.269 8.703 -4.521 1.00 0.00 C ATOM 415 C ASP A 29 28.965 8.639 -5.329 1.00 0.00 C ATOM 416 O ASP A 29 28.986 8.772 -6.553 1.00 0.00 O ATOM 417 CB ASP A 29 30.645 7.328 -3.951 1.00 0.00 C ATOM 418 CG ASP A 29 30.993 6.325 -5.051 1.00 0.00 C ATOM 419 OD1 ASP A 29 30.111 6.071 -5.899 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.142 5.836 -5.023 1.00 0.00 O ATOM 0 H ASP A 29 30.377 9.299 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 29 31.058 9.017 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.495 7.436 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.815 6.942 -3.359 1.00 0.00 H new ATOM 425 N VAL A 30 27.826 8.467 -4.645 1.00 0.00 N ATOM 426 CA VAL A 30 26.522 8.479 -5.298 1.00 0.00 C ATOM 427 C VAL A 30 26.350 9.810 -6.023 1.00 0.00 C ATOM 428 O VAL A 30 25.941 9.816 -7.177 1.00 0.00 O ATOM 429 CB VAL A 30 25.367 8.206 -4.312 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.003 8.284 -5.016 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.497 6.814 -3.685 1.00 0.00 C ATOM 0 H VAL A 30 27.788 8.318 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 30 26.483 7.665 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 30 25.428 8.972 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.210 8.087 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.869 9.279 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.962 7.541 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.670 6.647 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.472 6.058 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.441 6.745 -3.144 1.00 0.00 H new ATOM 441 N GLY A 31 26.689 10.922 -5.368 1.00 0.00 N ATOM 442 CA GLY A 31 26.679 12.248 -5.969 1.00 0.00 C ATOM 443 C GLY A 31 27.403 12.278 -7.318 1.00 0.00 C ATOM 444 O GLY A 31 26.855 12.744 -8.313 1.00 0.00 O ATOM 0 H GLY A 31 26.982 10.922 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.648 12.576 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.152 12.957 -5.289 1.00 0.00 H new ATOM 448 N LEU A 32 28.633 11.765 -7.360 1.00 0.00 N ATOM 449 CA LEU A 32 29.464 11.740 -8.556 1.00 0.00 C ATOM 450 C LEU A 32 28.838 10.860 -9.634 1.00 0.00 C ATOM 451 O LEU A 32 28.694 11.264 -10.789 1.00 0.00 O ATOM 452 CB LEU A 32 30.855 11.222 -8.170 1.00 0.00 C ATOM 453 CG LEU A 32 31.928 11.439 -9.249 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.264 12.926 -9.422 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.199 10.682 -8.849 1.00 0.00 C ATOM 0 H LEU A 32 29.085 11.348 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 32 29.547 12.746 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.173 11.716 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.786 10.157 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 32 31.538 11.067 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 33.026 13.040 -10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.366 13.470 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.639 13.326 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.966 10.831 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.560 11.058 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.977 9.619 -8.761 1.00 0.00 H new ATOM 467 N ALA A 33 28.480 9.636 -9.251 1.00 0.00 N ATOM 468 CA ALA A 33 27.858 8.677 -10.153 1.00 0.00 C ATOM 469 C ALA A 33 26.581 9.265 -10.766 1.00 0.00 C ATOM 470 O ALA A 33 26.381 9.217 -11.977 1.00 0.00 O ATOM 471 CB ALA A 33 27.593 7.376 -9.394 1.00 0.00 C ATOM 0 H ALA A 33 28.615 9.283 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 33 28.529 8.455 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.127 6.653 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.535 6.973 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.927 7.574 -8.554 1.00 0.00 H new ATOM 477 N MET A 34 25.725 9.851 -9.929 1.00 0.00 N ATOM 478 CA MET A 34 24.566 10.621 -10.355 1.00 0.00 C ATOM 479 C MET A 34 24.991 11.734 -11.306 1.00 0.00 C ATOM 480 O MET A 34 24.385 11.898 -12.359 1.00 0.00 O ATOM 481 CB MET A 34 23.868 11.224 -9.131 1.00 0.00 C ATOM 482 CG MET A 34 22.968 10.211 -8.424 1.00 0.00 C ATOM 483 SD MET A 34 21.553 9.583 -9.368 1.00 0.00 S ATOM 484 CE MET A 34 20.715 11.120 -9.803 1.00 0.00 C ATOM 0 H MET A 34 25.824 9.800 -8.915 1.00 0.00 H new ATOM 0 HA MET A 34 23.875 9.958 -10.876 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.618 11.592 -8.431 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.273 12.083 -9.441 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.581 9.361 -8.124 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.591 10.670 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.895 10.906 -10.489 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.321 11.587 -8.901 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.422 11.797 -10.283 1.00 0.00 H new ATOM 494 N GLY A 35 26.033 12.480 -10.941 1.00 0.00 N ATOM 495 CA GLY A 35 26.710 13.448 -11.790 1.00 0.00 C ATOM 496 C GLY A 35 26.867 12.928 -13.213 1.00 0.00 C ATOM 497 O GLY A 35 26.461 13.591 -14.165 1.00 0.00 O ATOM 0 H GLY A 35 26.441 12.421 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.146 14.380 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.692 13.675 -11.374 1.00 0.00 H new ATOM 501 N LYS A 36 27.444 11.735 -13.349 1.00 0.00 N ATOM 502 CA LYS A 36 27.600 11.095 -14.650 1.00 0.00 C ATOM 503 C LYS A 36 26.248 10.715 -15.276 1.00 0.00 C ATOM 504 O LYS A 36 25.981 11.073 -16.420 1.00 0.00 O ATOM 505 CB LYS A 36 28.528 9.873 -14.544 1.00 0.00 C ATOM 506 CG LYS A 36 30.014 10.222 -14.712 1.00 0.00 C ATOM 507 CD LYS A 36 30.550 11.151 -13.617 1.00 0.00 C ATOM 508 CE LYS A 36 32.044 11.409 -13.836 1.00 0.00 C ATOM 509 NZ LYS A 36 32.581 12.343 -12.831 1.00 0.00 N ATOM 0 H LYS A 36 27.812 11.191 -12.568 1.00 0.00 H new ATOM 0 HA LYS A 36 28.062 11.822 -15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.381 9.397 -13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.245 9.144 -15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.598 9.301 -14.714 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.161 10.695 -15.683 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.004 12.094 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.390 10.702 -12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.589 10.466 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.202 11.816 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.449 12.785 -13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.875 13.080 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.798 11.824 -11.956 1.00 0.00 H new ATOM 523 N LEU A 37 25.414 9.947 -14.567 1.00 0.00 N ATOM 524 CA LEU A 37 24.233 9.328 -15.173 1.00 0.00 C ATOM 525 C LEU A 37 23.063 10.290 -15.435 1.00 0.00 C ATOM 526 O LEU A 37 22.327 10.088 -16.399 1.00 0.00 O ATOM 527 CB LEU A 37 23.774 8.114 -14.348 1.00 0.00 C ATOM 528 CG LEU A 37 24.829 7.008 -14.172 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.156 5.760 -13.587 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.520 6.615 -15.485 1.00 0.00 C ATOM 0 H LEU A 37 25.535 9.740 -13.576 1.00 0.00 H new ATOM 0 HA LEU A 37 24.554 9.000 -16.162 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.465 8.460 -13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.894 7.682 -14.824 1.00 0.00 H new ATOM 0 HG LEU A 37 25.594 7.406 -13.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.898 4.972 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.716 6.003 -12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.375 5.416 -14.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.252 5.831 -15.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.776 6.249 -16.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 26.024 7.485 -15.906 1.00 0.00 H new ATOM 542 N TYR A 38 22.849 11.290 -14.576 1.00 0.00 N ATOM 543 CA TYR A 38 21.707 12.206 -14.639 1.00 0.00 C ATOM 544 C TYR A 38 22.164 13.660 -14.478 1.00 0.00 C ATOM 545 O TYR A 38 21.851 14.513 -15.305 1.00 0.00 O ATOM 546 CB TYR A 38 20.682 11.875 -13.539 1.00 0.00 C ATOM 547 CG TYR A 38 20.063 10.488 -13.579 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.750 9.406 -12.999 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.741 10.304 -14.033 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.159 8.132 -12.958 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.139 9.039 -13.962 1.00 0.00 C ATOM 552 CZ TYR A 38 18.854 7.949 -13.443 1.00 0.00 C ATOM 553 OH TYR A 38 18.210 6.768 -13.248 1.00 0.00 O ATOM 0 H TYR A 38 23.479 11.490 -13.799 1.00 0.00 H new ATOM 0 HA TYR A 38 21.240 12.083 -15.616 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.168 12.003 -12.572 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.877 12.608 -13.592 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.736 9.555 -12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.190 11.140 -14.437 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.708 7.294 -12.554 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.125 8.904 -14.307 1.00 0.00 H new ATOM 0 HH TYR A 38 18.015 6.655 -12.294 1.00 0.00 H new ATOM 563 N GLY A 39 22.851 13.952 -13.373 1.00 0.00 N ATOM 564 CA GLY A 39 23.204 15.289 -12.925 1.00 0.00 C ATOM 565 C GLY A 39 23.609 15.192 -11.455 1.00 0.00 C ATOM 566 O GLY A 39 23.167 14.278 -10.759 1.00 0.00 O ATOM 0 H GLY A 39 23.189 13.226 -12.741 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.023 15.689 -13.522 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.360 15.968 -13.046 1.00 0.00 H new ATOM 570 N ASN A 40 24.472 16.097 -10.976 1.00 0.00 N ATOM 571 CA ASN A 40 25.102 15.959 -9.665 1.00 0.00 C ATOM 572 C ASN A 40 24.165 16.397 -8.538 1.00 0.00 C ATOM 573 O ASN A 40 24.410 17.385 -7.846 1.00 0.00 O ATOM 574 CB ASN A 40 26.465 16.670 -9.626 1.00 0.00 C ATOM 575 CG ASN A 40 27.300 16.246 -8.411 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.279 15.520 -8.547 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.928 16.704 -7.220 1.00 0.00 N ATOM 0 H ASN A 40 24.749 16.937 -11.484 1.00 0.00 H new ATOM 0 HA ASN A 40 25.300 14.901 -9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 40 27.016 16.448 -10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.311 17.749 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.462 16.453 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.109 17.306 -7.138 1.00 0.00 H new ATOM 584 N ASP A 41 23.078 15.652 -8.362 1.00 0.00 N ATOM 585 CA ASP A 41 22.231 15.736 -7.181 1.00 0.00 C ATOM 586 C ASP A 41 22.770 14.688 -6.199 1.00 0.00 C ATOM 587 O ASP A 41 23.722 13.977 -6.509 1.00 0.00 O ATOM 588 CB ASP A 41 20.767 15.490 -7.583 1.00 0.00 C ATOM 589 CG ASP A 41 19.748 15.957 -6.542 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.173 16.382 -5.441 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.543 15.864 -6.855 1.00 0.00 O ATOM 0 H ASP A 41 22.758 14.965 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 41 22.251 16.718 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.569 16.002 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.625 14.424 -7.763 1.00 0.00 H new ATOM 596 N PHE A 42 22.187 14.591 -5.007 1.00 0.00 N ATOM 597 CA PHE A 42 22.428 13.499 -4.064 1.00 0.00 C ATOM 598 C PHE A 42 23.821 13.553 -3.435 1.00 0.00 C ATOM 599 O PHE A 42 24.287 12.563 -2.872 1.00 0.00 O ATOM 600 CB PHE A 42 22.139 12.127 -4.700 1.00 0.00 C ATOM 601 CG PHE A 42 20.741 11.878 -5.255 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.728 12.860 -5.245 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.469 10.633 -5.845 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.506 12.640 -5.900 1.00 0.00 C ATOM 605 CE2 PHE A 42 19.255 10.418 -6.514 1.00 0.00 C ATOM 606 CZ PHE A 42 18.282 11.427 -6.563 1.00 0.00 C ATOM 0 H PHE A 42 21.521 15.282 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 42 21.721 13.637 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.852 11.977 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.343 11.362 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.895 13.793 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 42 21.197 9.838 -5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.742 13.403 -5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 42 19.068 9.469 -6.995 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.364 11.269 -7.110 1.00 0.00 H new ATOM 616 N SER A 43 24.454 14.727 -3.441 1.00 0.00 N ATOM 617 CA SER A 43 25.668 14.960 -2.676 1.00 0.00 C ATOM 618 C SER A 43 25.285 15.105 -1.199 1.00 0.00 C ATOM 619 O SER A 43 25.281 16.202 -0.647 1.00 0.00 O ATOM 620 CB SER A 43 26.401 16.183 -3.234 1.00 0.00 C ATOM 621 OG SER A 43 26.762 15.924 -4.581 1.00 0.00 O ATOM 0 H SER A 43 24.137 15.536 -3.975 1.00 0.00 H new ATOM 0 HA SER A 43 26.361 14.122 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.762 17.064 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.290 16.394 -2.639 1.00 0.00 H new ATOM 0 HG SER A 43 27.714 15.695 -4.626 1.00 0.00 H new ATOM 627 N GLN A 44 24.930 13.976 -0.580 1.00 0.00 N ATOM 628 CA GLN A 44 24.540 13.839 0.817 1.00 0.00 C ATOM 629 C GLN A 44 23.154 14.424 1.093 1.00 0.00 C ATOM 630 O GLN A 44 22.211 13.679 1.364 1.00 0.00 O ATOM 631 CB GLN A 44 25.599 14.407 1.780 1.00 0.00 C ATOM 632 CG GLN A 44 27.030 14.008 1.398 1.00 0.00 C ATOM 633 CD GLN A 44 27.900 13.824 2.635 1.00 0.00 C ATOM 634 OE1 GLN A 44 28.075 12.704 3.109 1.00 0.00 O ATOM 635 NE2 GLN A 44 28.428 14.912 3.184 1.00 0.00 N ATOM 0 H GLN A 44 24.907 13.084 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 44 24.478 12.768 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 44 25.522 15.494 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.388 14.058 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 44 27.011 13.082 0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.464 14.774 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 44 28.262 15.827 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 44 28.999 14.833 4.025 1.00 0.00 H new ATOM 644 N THR A 45 23.028 15.751 1.031 1.00 0.00 N ATOM 645 CA THR A 45 21.866 16.498 1.489 1.00 0.00 C ATOM 646 C THR A 45 20.554 15.876 1.008 1.00 0.00 C ATOM 647 O THR A 45 19.730 15.447 1.812 1.00 0.00 O ATOM 648 CB THR A 45 22.033 17.966 1.063 1.00 0.00 C ATOM 649 OG1 THR A 45 23.405 18.304 1.157 1.00 0.00 O ATOM 650 CG2 THR A 45 21.224 18.904 1.961 1.00 0.00 C ATOM 0 H THR A 45 23.759 16.350 0.647 1.00 0.00 H new ATOM 0 HA THR A 45 21.807 16.456 2.577 1.00 0.00 H new ATOM 0 HB THR A 45 21.669 18.079 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.531 19.238 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.365 19.934 1.632 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.167 18.645 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.563 18.803 2.992 1.00 0.00 H new ATOM 658 N THR A 46 20.367 15.786 -0.308 1.00 0.00 N ATOM 659 CA THR A 46 19.163 15.243 -0.914 1.00 0.00 C ATOM 660 C THR A 46 18.913 13.783 -0.521 1.00 0.00 C ATOM 661 O THR A 46 17.762 13.377 -0.424 1.00 0.00 O ATOM 662 CB THR A 46 19.275 15.428 -2.428 1.00 0.00 C ATOM 663 OG1 THR A 46 19.946 16.646 -2.697 1.00 0.00 O ATOM 664 CG2 THR A 46 17.912 15.434 -3.122 1.00 0.00 C ATOM 0 H THR A 46 21.061 16.094 -0.989 1.00 0.00 H new ATOM 0 HA THR A 46 18.293 15.783 -0.541 1.00 0.00 H new ATOM 0 HB THR A 46 19.835 14.580 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.101 16.728 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.051 15.568 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.406 14.487 -2.937 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.307 16.251 -2.729 1.00 0.00 H new ATOM 672 N ILE A 47 19.960 12.988 -0.281 1.00 0.00 N ATOM 673 CA ILE A 47 19.805 11.592 0.121 1.00 0.00 C ATOM 674 C ILE A 47 19.339 11.525 1.580 1.00 0.00 C ATOM 675 O ILE A 47 18.448 10.743 1.918 1.00 0.00 O ATOM 676 CB ILE A 47 21.105 10.815 -0.171 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.221 10.506 -1.671 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.256 9.536 0.658 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.307 9.388 -2.190 1.00 0.00 C ATOM 0 H ILE A 47 20.930 13.293 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 47 19.029 11.101 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 47 21.924 11.467 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.004 11.417 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.254 10.237 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.193 9.043 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.260 9.788 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.423 8.865 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.469 9.252 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.536 8.459 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.266 9.657 -2.012 1.00 0.00 H new ATOM 691 N SER A 48 19.894 12.380 2.441 1.00 0.00 N ATOM 692 CA SER A 48 19.402 12.522 3.803 1.00 0.00 C ATOM 693 C SER A 48 17.925 12.940 3.773 1.00 0.00 C ATOM 694 O SER A 48 17.074 12.289 4.377 1.00 0.00 O ATOM 695 CB SER A 48 20.281 13.518 4.573 1.00 0.00 C ATOM 696 OG SER A 48 20.054 13.418 5.965 1.00 0.00 O ATOM 0 H SER A 48 20.685 12.983 2.214 1.00 0.00 H new ATOM 0 HA SER A 48 19.462 11.569 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 48 21.332 13.325 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.068 14.533 4.237 1.00 0.00 H new ATOM 0 HG SER A 48 20.625 14.060 6.437 1.00 0.00 H new ATOM 702 N ARG A 49 17.620 14.022 3.052 1.00 0.00 N ATOM 703 CA ARG A 49 16.269 14.554 2.933 1.00 0.00 C ATOM 704 C ARG A 49 15.308 13.507 2.360 1.00 0.00 C ATOM 705 O ARG A 49 14.186 13.368 2.843 1.00 0.00 O ATOM 706 CB ARG A 49 16.290 15.831 2.082 1.00 0.00 C ATOM 707 CG ARG A 49 16.973 16.994 2.815 1.00 0.00 C ATOM 708 CD ARG A 49 16.991 18.256 1.945 1.00 0.00 C ATOM 709 NE ARG A 49 17.819 18.075 0.744 1.00 0.00 N ATOM 710 CZ ARG A 49 17.877 18.943 -0.277 1.00 0.00 C ATOM 711 NH1 ARG A 49 17.187 20.087 -0.214 1.00 0.00 N ATOM 712 NH2 ARG A 49 18.618 18.681 -1.361 1.00 0.00 N ATOM 0 H ARG A 49 18.315 14.556 2.530 1.00 0.00 H new ATOM 0 HA ARG A 49 15.901 14.808 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.812 15.635 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.269 16.113 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.448 17.199 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.993 16.714 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.973 18.510 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.373 19.095 2.528 1.00 0.00 H new ATOM 0 HE ARG A 49 18.389 17.231 0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.620 20.296 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.228 20.750 -0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.148 17.812 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.652 19.351 -2.129 1.00 0.00 H new ATOM 726 N PHE A 50 15.742 12.767 1.336 1.00 0.00 N ATOM 727 CA PHE A 50 15.003 11.653 0.757 1.00 0.00 C ATOM 728 C PHE A 50 14.591 10.681 1.849 1.00 0.00 C ATOM 729 O PHE A 50 13.405 10.456 2.079 1.00 0.00 O ATOM 730 CB PHE A 50 15.889 10.924 -0.264 1.00 0.00 C ATOM 731 CG PHE A 50 15.348 9.623 -0.828 1.00 0.00 C ATOM 732 CD1 PHE A 50 14.013 9.543 -1.252 1.00 0.00 C ATOM 733 CD2 PHE A 50 16.220 8.546 -1.083 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.577 8.461 -2.033 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.784 7.459 -1.857 1.00 0.00 C ATOM 736 CZ PHE A 50 14.479 7.446 -2.378 1.00 0.00 C ATOM 0 H PHE A 50 16.639 12.934 0.879 1.00 0.00 H new ATOM 0 HA PHE A 50 14.111 12.037 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.079 11.603 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.851 10.718 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.315 10.320 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.223 8.557 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.551 8.411 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.452 6.633 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.171 6.654 -3.044 1.00 0.00 H new ATOM 746 N GLU A 51 15.589 10.100 2.513 1.00 0.00 N ATOM 747 CA GLU A 51 15.343 9.057 3.496 1.00 0.00 C ATOM 748 C GLU A 51 14.512 9.579 4.673 1.00 0.00 C ATOM 749 O GLU A 51 13.637 8.875 5.170 1.00 0.00 O ATOM 750 CB GLU A 51 16.669 8.393 3.886 1.00 0.00 C ATOM 751 CG GLU A 51 16.456 7.062 4.624 1.00 0.00 C ATOM 752 CD GLU A 51 16.660 7.208 6.128 1.00 0.00 C ATOM 753 OE1 GLU A 51 17.838 7.330 6.525 1.00 0.00 O ATOM 754 OE2 GLU A 51 15.642 7.188 6.851 1.00 0.00 O ATOM 0 H GLU A 51 16.573 10.336 2.385 1.00 0.00 H new ATOM 0 HA GLU A 51 14.725 8.272 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.264 8.218 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.240 9.071 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.448 6.695 4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.148 6.316 4.234 1.00 0.00 H new ATOM 761 N ALA A 52 14.730 10.834 5.073 1.00 0.00 N ATOM 762 CA ALA A 52 13.913 11.501 6.081 1.00 0.00 C ATOM 763 C ALA A 52 12.479 11.796 5.606 1.00 0.00 C ATOM 764 O ALA A 52 11.659 12.243 6.403 1.00 0.00 O ATOM 765 CB ALA A 52 14.609 12.796 6.509 1.00 0.00 C ATOM 0 H ALA A 52 15.482 11.416 4.703 1.00 0.00 H new ATOM 0 HA ALA A 52 13.816 10.820 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.005 13.302 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.589 12.562 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.729 13.448 5.644 1.00 0.00 H new ATOM 771 N LEU A 53 12.174 11.595 4.319 1.00 0.00 N ATOM 772 CA LEU A 53 10.905 11.955 3.693 1.00 0.00 C ATOM 773 C LEU A 53 10.627 13.455 3.862 1.00 0.00 C ATOM 774 O LEU A 53 9.498 13.886 4.078 1.00 0.00 O ATOM 775 CB LEU A 53 9.765 11.039 4.174 1.00 0.00 C ATOM 776 CG LEU A 53 8.751 10.679 3.071 1.00 0.00 C ATOM 777 CD1 LEU A 53 7.709 9.719 3.658 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.013 11.884 2.474 1.00 0.00 C ATOM 0 H LEU A 53 12.828 11.163 3.666 1.00 0.00 H new ATOM 0 HA LEU A 53 10.971 11.784 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.194 10.120 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.239 11.529 4.993 1.00 0.00 H new ATOM 0 HG LEU A 53 9.325 10.230 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.984 9.455 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.206 8.816 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.196 10.203 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.319 11.542 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.460 12.398 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.735 12.570 2.031 1.00 0.00 H new ATOM 790 N ASN A 54 11.678 14.265 3.721 1.00 0.00 N ATOM 791 CA ASN A 54 11.584 15.718 3.746 1.00 0.00 C ATOM 792 C ASN A 54 11.103 16.243 2.394 1.00 0.00 C ATOM 793 O ASN A 54 10.394 17.243 2.326 1.00 0.00 O ATOM 794 CB ASN A 54 12.945 16.310 4.119 1.00 0.00 C ATOM 795 CG ASN A 54 12.986 17.822 3.924 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.646 18.313 3.014 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.292 18.572 4.774 1.00 0.00 N ATOM 0 H ASN A 54 12.629 13.921 3.585 1.00 0.00 H new ATOM 0 HA ASN A 54 10.855 16.023 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.170 16.073 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.721 15.845 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.298 19.588 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.753 18.132 5.520 1.00 0.00 H new ATOM 804 N LEU A 55 11.470 15.564 1.305 1.00 0.00 N ATOM 805 CA LEU A 55 11.148 15.986 -0.057 1.00 0.00 C ATOM 806 C LEU A 55 9.713 15.576 -0.432 1.00 0.00 C ATOM 807 O LEU A 55 9.483 15.055 -1.523 1.00 0.00 O ATOM 808 CB LEU A 55 12.185 15.391 -1.024 1.00 0.00 C ATOM 809 CG LEU A 55 13.647 15.659 -0.630 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.587 14.910 -1.577 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.982 17.155 -0.645 1.00 0.00 C ATOM 0 H LEU A 55 12.005 14.696 1.346 1.00 0.00 H new ATOM 0 HA LEU A 55 11.192 17.073 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.030 14.314 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.010 15.797 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 55 13.783 15.299 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.621 15.104 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.389 13.840 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.422 15.251 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.025 17.297 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.822 17.554 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.338 17.679 0.061 1.00 0.00 H new ATOM 823 N SER A 56 8.768 15.813 0.486 1.00 0.00 N ATOM 824 CA SER A 56 7.378 15.377 0.543 1.00 0.00 C ATOM 825 C SER A 56 6.772 14.831 -0.755 1.00 0.00 C ATOM 826 O SER A 56 5.961 15.509 -1.383 1.00 0.00 O ATOM 827 CB SER A 56 6.556 16.543 1.098 1.00 0.00 C ATOM 828 OG SER A 56 7.215 17.044 2.247 1.00 0.00 O ATOM 0 H SER A 56 8.993 16.384 1.301 1.00 0.00 H new ATOM 0 HA SER A 56 7.352 14.502 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.453 17.327 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.549 16.211 1.352 1.00 0.00 H new ATOM 0 HG SER A 56 6.704 17.794 2.616 1.00 0.00 H new ATOM 834 N PHE A 57 7.110 13.586 -1.111 1.00 0.00 N ATOM 835 CA PHE A 57 6.526 12.804 -2.199 1.00 0.00 C ATOM 836 C PHE A 57 6.867 13.324 -3.603 1.00 0.00 C ATOM 837 O PHE A 57 7.398 12.578 -4.420 1.00 0.00 O ATOM 838 CB PHE A 57 5.013 12.616 -2.016 1.00 0.00 C ATOM 839 CG PHE A 57 4.419 11.621 -2.995 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.795 10.268 -2.919 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.582 12.053 -4.042 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.326 9.348 -3.871 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.099 11.129 -4.984 1.00 0.00 C ATOM 844 CZ PHE A 57 3.467 9.775 -4.897 1.00 0.00 C ATOM 0 H PHE A 57 7.840 13.071 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 57 7.000 11.825 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.814 12.280 -0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.515 13.578 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.447 9.935 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.311 13.095 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.626 8.312 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.444 11.460 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.090 9.064 -5.618 1.00 0.00 H new ATOM 854 N LYS A 58 6.540 14.588 -3.885 1.00 0.00 N ATOM 855 CA LYS A 58 6.658 15.251 -5.178 1.00 0.00 C ATOM 856 C LYS A 58 7.928 14.867 -5.944 1.00 0.00 C ATOM 857 O LYS A 58 7.861 14.403 -7.080 1.00 0.00 O ATOM 858 CB LYS A 58 6.519 16.771 -4.970 1.00 0.00 C ATOM 859 CG LYS A 58 7.545 17.383 -3.997 1.00 0.00 C ATOM 860 CD LYS A 58 7.095 18.779 -3.557 1.00 0.00 C ATOM 861 CE LYS A 58 8.108 19.377 -2.574 1.00 0.00 C ATOM 862 NZ LYS A 58 7.690 20.715 -2.117 1.00 0.00 N ATOM 0 H LYS A 58 6.163 15.210 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 58 5.848 14.905 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.614 17.267 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.516 16.983 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.658 16.739 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.521 17.443 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.995 19.428 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.113 18.721 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.217 18.715 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.085 19.443 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.397 21.092 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.609 21.352 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.769 20.647 -1.640 1.00 0.00 H new ATOM 876 N ASN A 59 9.092 15.052 -5.319 1.00 0.00 N ATOM 877 CA ASN A 59 10.363 14.659 -5.912 1.00 0.00 C ATOM 878 C ASN A 59 10.479 13.142 -5.851 1.00 0.00 C ATOM 879 O ASN A 59 10.732 12.467 -6.845 1.00 0.00 O ATOM 880 CB ASN A 59 11.511 15.313 -5.134 1.00 0.00 C ATOM 881 CG ASN A 59 12.871 15.115 -5.806 1.00 0.00 C ATOM 882 OD1 ASN A 59 12.998 14.410 -6.798 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.909 15.749 -5.270 1.00 0.00 N ATOM 0 H ASN A 59 9.176 15.475 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 59 10.415 14.985 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.313 16.380 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.545 14.897 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.835 15.653 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.779 16.331 -4.443 1.00 0.00 H new ATOM 890 N MET A 60 10.287 12.621 -4.641 1.00 0.00 N ATOM 891 CA MET A 60 10.533 11.238 -4.268 1.00 0.00 C ATOM 892 C MET A 60 9.932 10.228 -5.239 1.00 0.00 C ATOM 893 O MET A 60 10.553 9.209 -5.522 1.00 0.00 O ATOM 894 CB MET A 60 10.081 10.975 -2.831 1.00 0.00 C ATOM 895 CG MET A 60 10.832 11.887 -1.861 1.00 0.00 C ATOM 896 SD MET A 60 10.511 11.661 -0.100 1.00 0.00 S ATOM 897 CE MET A 60 10.658 9.864 0.070 1.00 0.00 C ATOM 0 H MET A 60 9.940 13.180 -3.862 1.00 0.00 H new ATOM 0 HA MET A 60 11.611 11.091 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.008 11.145 -2.744 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.260 9.932 -2.572 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.900 11.752 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.596 12.920 -2.117 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.177 9.628 0.999 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.664 9.417 0.086 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.222 9.464 -0.772 1.00 0.00 H new ATOM 907 N CYS A 61 8.739 10.499 -5.758 1.00 0.00 N ATOM 908 CA CYS A 61 8.085 9.606 -6.702 1.00 0.00 C ATOM 909 C CYS A 61 8.859 9.459 -8.015 1.00 0.00 C ATOM 910 O CYS A 61 8.835 8.395 -8.628 1.00 0.00 O ATOM 911 CB CYS A 61 6.656 10.100 -6.935 1.00 0.00 C ATOM 912 SG CYS A 61 5.810 8.994 -8.085 1.00 0.00 S ATOM 0 H CYS A 61 8.203 11.338 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 61 8.060 8.605 -6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.116 10.139 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.672 11.114 -7.335 1.00 0.00 H new ATOM 0 HG CYS A 61 6.685 8.256 -8.700 1.00 0.00 H new ATOM 917 N LYS A 62 9.587 10.498 -8.430 1.00 0.00 N ATOM 918 CA LYS A 62 10.529 10.416 -9.540 1.00 0.00 C ATOM 919 C LYS A 62 11.863 9.854 -9.037 1.00 0.00 C ATOM 920 O LYS A 62 12.501 9.024 -9.688 1.00 0.00 O ATOM 921 CB LYS A 62 10.721 11.813 -10.147 1.00 0.00 C ATOM 922 CG LYS A 62 9.381 12.405 -10.613 1.00 0.00 C ATOM 923 CD LYS A 62 9.579 13.707 -11.400 1.00 0.00 C ATOM 924 CE LYS A 62 10.069 14.880 -10.539 1.00 0.00 C ATOM 925 NZ LYS A 62 9.068 15.290 -9.537 1.00 0.00 N ATOM 0 H LYS A 62 9.537 11.422 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 62 10.141 9.750 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.177 12.474 -9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.409 11.755 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.859 11.679 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.747 12.596 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.297 13.531 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.636 13.983 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.992 14.597 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.305 15.727 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.365 16.183 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.147 15.422 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.986 14.554 -8.807 1.00 0.00 H new ATOM 939 N LEU A 63 12.292 10.325 -7.866 1.00 0.00 N ATOM 940 CA LEU A 63 13.601 10.024 -7.308 1.00 0.00 C ATOM 941 C LEU A 63 13.783 8.532 -7.019 1.00 0.00 C ATOM 942 O LEU A 63 14.854 7.987 -7.276 1.00 0.00 O ATOM 943 CB LEU A 63 13.935 11.014 -6.180 1.00 0.00 C ATOM 944 CG LEU A 63 14.193 10.559 -4.731 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.506 9.779 -4.604 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.322 11.845 -3.897 1.00 0.00 C ATOM 0 H LEU A 63 11.728 10.935 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 63 14.379 10.195 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.822 11.562 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.115 11.731 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 63 13.384 9.908 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.651 9.476 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.466 8.893 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.337 10.412 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.507 11.586 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.152 12.442 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.399 12.420 -3.970 1.00 0.00 H new ATOM 958 N LYS A 64 12.738 7.851 -6.546 1.00 0.00 N ATOM 959 CA LYS A 64 12.765 6.399 -6.372 1.00 0.00 C ATOM 960 C LYS A 64 13.151 5.670 -7.673 1.00 0.00 C ATOM 961 O LYS A 64 14.215 5.054 -7.702 1.00 0.00 O ATOM 962 CB LYS A 64 11.470 5.876 -5.728 1.00 0.00 C ATOM 963 CG LYS A 64 11.409 4.337 -5.744 1.00 0.00 C ATOM 964 CD LYS A 64 10.122 3.847 -5.066 1.00 0.00 C ATOM 965 CE LYS A 64 9.908 2.344 -5.285 1.00 0.00 C ATOM 966 NZ LYS A 64 10.987 1.543 -4.683 1.00 0.00 N ATOM 0 H LYS A 64 11.856 8.286 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 64 13.559 6.165 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.405 6.232 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.609 6.280 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.447 3.976 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.278 3.927 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.170 4.057 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.269 4.398 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.952 2.047 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.855 2.137 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.526 1.066 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.622 2.165 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.577 0.831 -4.046 1.00 0.00 H new ATOM 980 N PRO A 65 12.332 5.685 -8.742 1.00 0.00 N ATOM 981 CA PRO A 65 12.654 4.989 -9.979 1.00 0.00 C ATOM 982 C PRO A 65 14.001 5.446 -10.543 1.00 0.00 C ATOM 983 O PRO A 65 14.794 4.612 -10.969 1.00 0.00 O ATOM 984 CB PRO A 65 11.478 5.210 -10.935 1.00 0.00 C ATOM 985 CG PRO A 65 10.730 6.404 -10.348 1.00 0.00 C ATOM 986 CD PRO A 65 11.028 6.310 -8.850 1.00 0.00 C ATOM 0 HA PRO A 65 12.780 3.919 -9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.823 5.416 -11.948 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.839 4.329 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.083 7.345 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.660 6.346 -10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.029 7.298 -8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.268 5.720 -8.337 1.00 0.00 H new ATOM 994 N LEU A 66 14.287 6.751 -10.506 1.00 0.00 N ATOM 995 CA LEU A 66 15.605 7.284 -10.835 1.00 0.00 C ATOM 996 C LEU A 66 16.713 6.543 -10.070 1.00 0.00 C ATOM 997 O LEU A 66 17.686 6.101 -10.684 1.00 0.00 O ATOM 998 CB LEU A 66 15.566 8.799 -10.592 1.00 0.00 C ATOM 999 CG LEU A 66 16.902 9.552 -10.600 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.617 11.046 -10.795 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.671 9.356 -9.290 1.00 0.00 C ATOM 0 H LEU A 66 13.607 7.466 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 66 15.852 7.118 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.924 9.245 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.088 8.973 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 66 17.516 9.159 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.557 11.598 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.099 11.197 -11.742 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.992 11.407 -9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.612 9.905 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.073 9.728 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.876 8.296 -9.144 1.00 0.00 H new ATOM 1013 N LEU A 67 16.590 6.381 -8.747 1.00 0.00 N ATOM 1014 CA LEU A 67 17.590 5.670 -7.962 1.00 0.00 C ATOM 1015 C LEU A 67 17.623 4.188 -8.300 1.00 0.00 C ATOM 1016 O LEU A 67 18.699 3.611 -8.391 1.00 0.00 O ATOM 1017 CB LEU A 67 17.370 5.834 -6.455 1.00 0.00 C ATOM 1018 CG LEU A 67 18.079 7.049 -5.848 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.829 7.035 -4.351 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.594 7.046 -6.102 1.00 0.00 C ATOM 0 H LEU A 67 15.804 6.736 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 67 18.547 6.119 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.300 5.917 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.717 4.934 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 67 17.679 7.946 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.323 7.891 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.757 7.090 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.227 6.114 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.041 7.931 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.035 6.151 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.783 7.054 -7.175 1.00 0.00 H new ATOM 1032 N GLU A 68 16.466 3.549 -8.454 1.00 0.00 N ATOM 1033 CA GLU A 68 16.409 2.147 -8.837 1.00 0.00 C ATOM 1034 C GLU A 68 17.187 1.939 -10.146 1.00 0.00 C ATOM 1035 O GLU A 68 18.046 1.060 -10.236 1.00 0.00 O ATOM 1036 CB GLU A 68 14.942 1.708 -8.935 1.00 0.00 C ATOM 1037 CG GLU A 68 14.304 1.586 -7.548 1.00 0.00 C ATOM 1038 CD GLU A 68 12.832 1.194 -7.609 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.074 1.923 -8.282 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.487 0.180 -6.965 1.00 0.00 O ATOM 0 H GLU A 68 15.554 3.985 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 68 16.884 1.520 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.384 2.429 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.881 0.750 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.850 0.843 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.401 2.536 -7.023 1.00 0.00 H new ATOM 1047 N LYS A 69 16.924 2.784 -11.148 1.00 0.00 N ATOM 1048 CA LYS A 69 17.639 2.750 -12.415 1.00 0.00 C ATOM 1049 C LYS A 69 19.126 3.055 -12.210 1.00 0.00 C ATOM 1050 O LYS A 69 19.971 2.348 -12.751 1.00 0.00 O ATOM 1051 CB LYS A 69 16.983 3.714 -13.410 1.00 0.00 C ATOM 1052 CG LYS A 69 15.586 3.263 -13.861 1.00 0.00 C ATOM 1053 CD LYS A 69 15.637 2.041 -14.791 1.00 0.00 C ATOM 1054 CE LYS A 69 14.262 1.740 -15.399 1.00 0.00 C ATOM 1055 NZ LYS A 69 13.266 1.403 -14.366 1.00 0.00 N ATOM 0 H LYS A 69 16.208 3.509 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 69 17.578 1.746 -12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.909 4.701 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.625 3.815 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.984 3.024 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.089 4.086 -14.374 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.358 2.220 -15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.988 1.172 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.918 2.605 -15.966 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.350 0.912 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.374 1.124 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.620 0.615 -13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.101 2.232 -13.760 1.00 0.00 H new ATOM 1069 N TRP A 70 19.463 4.074 -11.411 1.00 0.00 N ATOM 1070 CA TRP A 70 20.850 4.376 -11.069 1.00 0.00 C ATOM 1071 C TRP A 70 21.548 3.123 -10.525 1.00 0.00 C ATOM 1072 O TRP A 70 22.641 2.780 -10.966 1.00 0.00 O ATOM 1073 CB TRP A 70 20.916 5.530 -10.055 1.00 0.00 C ATOM 1074 CG TRP A 70 22.280 5.838 -9.520 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.153 6.736 -10.022 1.00 0.00 C ATOM 1076 CD2 TRP A 70 22.967 5.196 -8.403 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.338 6.668 -9.320 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.297 5.701 -8.335 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.598 4.224 -7.452 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.233 5.215 -7.406 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.528 3.724 -6.525 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.847 4.197 -6.519 1.00 0.00 C ATOM 0 H TRP A 70 18.784 4.706 -10.988 1.00 0.00 H new ATOM 0 HA TRP A 70 21.373 4.692 -11.972 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.518 6.429 -10.526 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.261 5.293 -9.217 1.00 0.00 H new ATOM 0 HD1 TRP A 70 22.954 7.405 -10.846 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.147 7.260 -9.506 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.582 3.857 -7.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.234 5.618 -7.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.224 2.971 -5.813 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.567 3.778 -5.832 1.00 0.00 H new ATOM 1093 N LEU A 71 20.918 2.443 -9.564 1.00 0.00 N ATOM 1094 CA LEU A 71 21.485 1.292 -8.876 1.00 0.00 C ATOM 1095 C LEU A 71 21.682 0.159 -9.881 1.00 0.00 C ATOM 1096 O LEU A 71 22.760 -0.424 -9.946 1.00 0.00 O ATOM 1097 CB LEU A 71 20.584 0.885 -7.695 1.00 0.00 C ATOM 1098 CG LEU A 71 21.345 0.291 -6.496 1.00 0.00 C ATOM 1099 CD1 LEU A 71 20.338 -0.071 -5.399 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.163 -0.953 -6.856 1.00 0.00 C ATOM 0 H LEU A 71 19.982 2.686 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 71 22.460 1.541 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.026 1.760 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.853 0.156 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 71 22.051 1.048 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.867 -0.493 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.802 0.825 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.628 -0.803 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.675 -1.322 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.498 -1.727 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.899 -0.697 -7.618 1.00 0.00 H new ATOM 1112 N ASN A 72 20.657 -0.128 -10.691 1.00 0.00 N ATOM 1113 CA ASN A 72 20.768 -1.081 -11.791 1.00 0.00 C ATOM 1114 C ASN A 72 21.984 -0.756 -12.663 1.00 0.00 C ATOM 1115 O ASN A 72 22.861 -1.591 -12.866 1.00 0.00 O ATOM 1116 CB ASN A 72 19.480 -1.062 -12.626 1.00 0.00 C ATOM 1117 CG ASN A 72 19.628 -1.868 -13.913 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.380 -3.067 -13.926 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.018 -1.225 -15.013 1.00 0.00 N ATOM 0 H ASN A 72 19.733 0.294 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 72 20.906 -2.081 -11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.658 -1.467 -12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.220 -0.032 -12.870 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.116 -1.732 -15.893 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.219 -0.226 -14.976 1.00 0.00 H new ATOM 1126 N ASP A 73 22.025 0.471 -13.181 1.00 0.00 N ATOM 1127 CA ASP A 73 23.037 0.909 -14.131 1.00 0.00 C ATOM 1128 C ASP A 73 24.428 0.801 -13.508 1.00 0.00 C ATOM 1129 O ASP A 73 25.361 0.321 -14.146 1.00 0.00 O ATOM 1130 CB ASP A 73 22.738 2.342 -14.594 1.00 0.00 C ATOM 1131 CG ASP A 73 21.412 2.485 -15.344 1.00 0.00 C ATOM 1132 OD1 ASP A 73 20.761 1.444 -15.595 1.00 0.00 O ATOM 1133 OD2 ASP A 73 21.070 3.646 -15.652 1.00 0.00 O ATOM 0 H ASP A 73 21.346 1.195 -12.947 1.00 0.00 H new ATOM 0 HA ASP A 73 23.014 0.261 -15.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.726 3.000 -13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.548 2.682 -15.239 1.00 0.00 H new ATOM 1138 N ALA A 74 24.559 1.214 -12.248 1.00 0.00 N ATOM 1139 CA ALA A 74 25.782 1.083 -11.468 1.00 0.00 C ATOM 1140 C ALA A 74 25.827 -0.262 -10.728 1.00 0.00 C ATOM 1141 O ALA A 74 26.392 -0.339 -9.639 1.00 0.00 O ATOM 1142 CB ALA A 74 25.872 2.263 -10.492 1.00 0.00 C ATOM 0 H ALA A 74 23.799 1.658 -11.733 1.00 0.00 H new ATOM 0 HA ALA A 74 26.643 1.102 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.784 2.178 -9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.889 3.198 -11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.007 2.253 -9.828 1.00 0.00 H new ATOM 1148 N GLU A 75 25.240 -1.323 -11.298 1.00 0.00 N ATOM 1149 CA GLU A 75 25.142 -2.633 -10.670 1.00 0.00 C ATOM 1150 C GLU A 75 24.605 -2.513 -9.241 1.00 0.00 C ATOM 1151 O GLU A 75 24.778 -3.417 -8.424 1.00 0.00 O ATOM 1152 CB GLU A 75 26.495 -3.362 -10.724 1.00 0.00 C ATOM 1153 CG GLU A 75 27.076 -3.438 -12.146 1.00 0.00 C ATOM 1154 CD GLU A 75 26.142 -4.152 -13.120 1.00 0.00 C ATOM 1155 OE1 GLU A 75 25.778 -5.307 -12.812 1.00 0.00 O ATOM 1156 OE2 GLU A 75 25.814 -3.533 -14.155 1.00 0.00 O ATOM 0 H GLU A 75 24.815 -1.287 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 75 24.427 -3.237 -11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 75 27.204 -2.850 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 75 26.374 -4.372 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 75 27.273 -2.429 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 75 28.033 -3.959 -12.117 1.00 0.00 H new TER 1163 GLU A 75