USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc=0.000588 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.287 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 14:sc= 0.46 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 15 TYR OH : rot 31:sc= 1.28 USER MOD Single : A 16 SER OG : rot 166:sc= 0.0178 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.42) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 159:sc= -0.132 (180deg=-0.642) USER MOD Single : A 51 GLN : amide:sc= -0.433 K(o=-0.43,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00404 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.904 -2.079 -23.490 1.00 0.00 N ATOM 2 CA MET A 1 5.361 -2.156 -23.242 1.00 0.00 C ATOM 3 C MET A 1 5.628 -2.708 -21.850 1.00 0.00 C ATOM 4 O MET A 1 5.011 -2.279 -20.875 1.00 0.00 O ATOM 5 CB MET A 1 6.000 -0.771 -23.384 1.00 0.00 C ATOM 6 CG MET A 1 7.513 -0.772 -23.232 1.00 0.00 C ATOM 7 SD MET A 1 8.235 0.861 -23.477 1.00 0.00 S ATOM 8 CE MET A 1 9.975 0.474 -23.302 1.00 0.00 C ATOM 0 H1 MET A 1 3.706 -1.304 -24.155 1.00 0.00 H new ATOM 0 H2 MET A 1 3.573 -2.977 -23.896 1.00 0.00 H new ATOM 0 H3 MET A 1 3.408 -1.901 -22.593 1.00 0.00 H new ATOM 0 HA MET A 1 5.803 -2.825 -23.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.743 -0.362 -24.361 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.570 -0.105 -22.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.774 -1.135 -22.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.946 -1.468 -23.950 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.564 1.383 -23.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.157 0.057 -22.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.264 -0.253 -24.061 1.00 0.00 H new ATOM 17 N SER A 2 6.532 -3.667 -21.756 1.00 0.00 N ATOM 18 CA SER A 2 6.882 -4.248 -20.476 1.00 0.00 C ATOM 19 C SER A 2 8.287 -3.825 -20.060 1.00 0.00 C ATOM 20 O SER A 2 9.282 -4.317 -20.597 1.00 0.00 O ATOM 21 CB SER A 2 6.776 -5.774 -20.541 1.00 0.00 C ATOM 22 OG SER A 2 7.491 -6.288 -21.654 1.00 0.00 O ATOM 0 H SER A 2 7.036 -4.059 -22.552 1.00 0.00 H new ATOM 0 HA SER A 2 6.181 -3.882 -19.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.167 -6.208 -19.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.728 -6.066 -20.611 1.00 0.00 H new ATOM 0 HG SER A 2 8.361 -5.841 -21.719 1.00 0.00 H new ATOM 28 N ALA A 3 8.360 -2.892 -19.124 1.00 0.00 N ATOM 29 CA ALA A 3 9.631 -2.459 -18.567 1.00 0.00 C ATOM 30 C ALA A 3 9.626 -2.674 -17.061 1.00 0.00 C ATOM 31 O ALA A 3 9.439 -1.736 -16.281 1.00 0.00 O ATOM 32 CB ALA A 3 9.902 -1.001 -18.909 1.00 0.00 C ATOM 0 H ALA A 3 7.547 -2.417 -18.732 1.00 0.00 H new ATOM 0 HA ALA A 3 10.433 -3.054 -19.005 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.858 -0.699 -18.482 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.934 -0.881 -19.992 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.108 -0.377 -18.498 1.00 0.00 H new ATOM 38 N LEU A 4 9.802 -3.924 -16.658 1.00 0.00 N ATOM 39 CA LEU A 4 9.730 -4.293 -15.255 1.00 0.00 C ATOM 40 C LEU A 4 11.110 -4.619 -14.708 1.00 0.00 C ATOM 41 O LEU A 4 12.013 -5.010 -15.449 1.00 0.00 O ATOM 42 CB LEU A 4 8.811 -5.508 -15.047 1.00 0.00 C ATOM 43 CG LEU A 4 7.312 -5.287 -15.304 1.00 0.00 C ATOM 44 CD1 LEU A 4 7.007 -5.223 -16.791 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.495 -6.387 -14.643 1.00 0.00 C ATOM 0 H LEU A 4 9.997 -4.702 -17.288 1.00 0.00 H new ATOM 0 HA LEU A 4 9.320 -3.437 -14.718 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.154 -6.311 -15.700 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.933 -5.857 -14.022 1.00 0.00 H new ATOM 0 HG LEU A 4 7.036 -4.328 -14.866 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.938 -5.066 -16.937 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.560 -4.398 -17.241 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.304 -6.159 -17.264 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.435 -6.217 -14.833 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.787 -7.354 -15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.676 -6.379 -13.568 1.00 0.00 H new ATOM 57 N GLN A 5 11.262 -4.451 -13.406 1.00 0.00 N ATOM 58 CA GLN A 5 12.466 -4.865 -12.709 1.00 0.00 C ATOM 59 C GLN A 5 12.095 -5.316 -11.300 1.00 0.00 C ATOM 60 O GLN A 5 12.160 -4.536 -10.349 1.00 0.00 O ATOM 61 CB GLN A 5 13.491 -3.730 -12.652 1.00 0.00 C ATOM 62 CG GLN A 5 14.847 -4.166 -12.124 1.00 0.00 C ATOM 63 CD GLN A 5 15.779 -2.998 -11.890 1.00 0.00 C ATOM 64 OE1 GLN A 5 16.509 -2.577 -12.790 1.00 0.00 O ATOM 65 NE2 GLN A 5 15.773 -2.478 -10.674 1.00 0.00 N ATOM 0 H GLN A 5 10.557 -4.025 -12.804 1.00 0.00 H new ATOM 0 HA GLN A 5 12.922 -5.692 -13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.616 -3.313 -13.651 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.103 -2.932 -12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.712 -4.712 -11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.305 -4.856 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.152 -2.858 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.389 -1.697 -10.450 1.00 0.00 H new ATOM 74 N PRO A 6 11.669 -6.577 -11.160 1.00 0.00 N ATOM 75 CA PRO A 6 11.153 -7.108 -9.898 1.00 0.00 C ATOM 76 C PRO A 6 12.216 -7.170 -8.808 1.00 0.00 C ATOM 77 O PRO A 6 13.415 -7.227 -9.089 1.00 0.00 O ATOM 78 CB PRO A 6 10.676 -8.522 -10.257 1.00 0.00 C ATOM 79 CG PRO A 6 10.615 -8.556 -11.747 1.00 0.00 C ATOM 80 CD PRO A 6 11.664 -7.593 -12.220 1.00 0.00 C ATOM 0 HA PRO A 6 10.367 -6.471 -9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.363 -9.277 -9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.700 -8.730 -9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.808 -9.561 -12.124 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.627 -8.265 -12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.637 -8.073 -12.326 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.413 -7.165 -13.190 1.00 0.00 H new ATOM 88 N SER A 7 11.768 -7.145 -7.567 1.00 0.00 N ATOM 89 CA SER A 7 12.662 -7.264 -6.434 1.00 0.00 C ATOM 90 C SER A 7 12.081 -8.274 -5.446 1.00 0.00 C ATOM 91 O SER A 7 12.603 -9.380 -5.300 1.00 0.00 O ATOM 92 CB SER A 7 12.868 -5.896 -5.771 1.00 0.00 C ATOM 93 OG SER A 7 13.989 -5.902 -4.904 1.00 0.00 O ATOM 0 H SER A 7 10.784 -7.043 -7.319 1.00 0.00 H new ATOM 0 HA SER A 7 13.637 -7.617 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.005 -5.135 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.974 -5.624 -5.210 1.00 0.00 H new ATOM 0 HG SER A 7 14.094 -5.016 -4.499 1.00 0.00 H new ATOM 99 N ARG A 8 10.980 -7.904 -4.798 1.00 0.00 N ATOM 100 CA ARG A 8 10.283 -8.807 -3.891 1.00 0.00 C ATOM 101 C ARG A 8 8.785 -8.545 -3.921 1.00 0.00 C ATOM 102 O ARG A 8 8.316 -7.616 -4.581 1.00 0.00 O ATOM 103 CB ARG A 8 10.800 -8.657 -2.457 1.00 0.00 C ATOM 104 CG ARG A 8 12.085 -9.416 -2.182 1.00 0.00 C ATOM 105 CD ARG A 8 12.494 -9.307 -0.724 1.00 0.00 C ATOM 106 NE ARG A 8 13.650 -10.153 -0.415 1.00 0.00 N ATOM 107 CZ ARG A 8 13.817 -10.793 0.743 1.00 0.00 C ATOM 108 NH1 ARG A 8 12.910 -10.670 1.706 1.00 0.00 N ATOM 109 NH2 ARG A 8 14.892 -11.553 0.933 1.00 0.00 N ATOM 0 H ARG A 8 10.551 -6.983 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 8 10.477 -9.825 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.963 -7.599 -2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.031 -9.003 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.953 -10.465 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.882 -9.026 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.731 -8.269 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.655 -9.593 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 8 14.371 -10.259 -1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.086 -10.086 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.037 -11.159 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.588 -11.646 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.020 -12.043 1.818 1.00 0.00 H new ATOM 123 N SER A 9 8.043 -9.373 -3.209 1.00 0.00 N ATOM 124 CA SER A 9 6.614 -9.179 -3.054 1.00 0.00 C ATOM 125 C SER A 9 6.321 -8.869 -1.593 1.00 0.00 C ATOM 126 O SER A 9 6.873 -9.508 -0.694 1.00 0.00 O ATOM 127 CB SER A 9 5.845 -10.423 -3.511 1.00 0.00 C ATOM 128 OG SER A 9 4.447 -10.171 -3.590 1.00 0.00 O ATOM 0 H SER A 9 8.411 -10.193 -2.726 1.00 0.00 H new ATOM 0 HA SER A 9 6.288 -8.346 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.214 -10.743 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.030 -11.242 -2.816 1.00 0.00 H new ATOM 0 HG SER A 9 4.286 -9.205 -3.547 1.00 0.00 H new ATOM 134 N TYR A 10 5.477 -7.882 -1.360 1.00 0.00 N ATOM 135 CA TYR A 10 5.206 -7.418 -0.011 1.00 0.00 C ATOM 136 C TYR A 10 3.729 -7.581 0.309 1.00 0.00 C ATOM 137 O TYR A 10 2.884 -7.455 -0.572 1.00 0.00 O ATOM 138 CB TYR A 10 5.613 -5.946 0.134 1.00 0.00 C ATOM 139 CG TYR A 10 6.943 -5.622 -0.509 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.140 -5.961 0.107 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.997 -4.993 -1.748 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.355 -5.675 -0.489 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.205 -4.709 -2.352 1.00 0.00 C ATOM 144 CZ TYR A 10 9.380 -5.053 -1.720 1.00 0.00 C ATOM 145 OH TYR A 10 10.585 -4.778 -2.324 1.00 0.00 O ATOM 0 H TYR A 10 4.966 -7.384 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 10 5.789 -8.016 0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.841 -5.318 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.659 -5.693 1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.122 -6.456 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.078 -4.722 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.278 -5.937 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.229 -4.220 -3.315 1.00 0.00 H new ATOM 0 HH TYR A 10 10.426 -4.339 -3.186 1.00 0.00 H new ATOM 155 N ARG A 11 3.426 -7.868 1.560 1.00 0.00 N ATOM 156 CA ARG A 11 2.049 -8.017 1.995 1.00 0.00 C ATOM 157 C ARG A 11 1.605 -6.796 2.769 1.00 0.00 C ATOM 158 O ARG A 11 2.402 -6.154 3.462 1.00 0.00 O ATOM 159 CB ARG A 11 1.876 -9.260 2.865 1.00 0.00 C ATOM 160 CG ARG A 11 2.918 -9.394 3.966 1.00 0.00 C ATOM 161 CD ARG A 11 2.522 -10.443 4.994 1.00 0.00 C ATOM 162 NE ARG A 11 2.218 -11.734 4.378 1.00 0.00 N ATOM 163 CZ ARG A 11 2.762 -12.890 4.756 1.00 0.00 C ATOM 164 NH1 ARG A 11 3.670 -12.929 5.723 1.00 0.00 N ATOM 165 NH2 ARG A 11 2.398 -14.015 4.163 1.00 0.00 N ATOM 0 H ARG A 11 4.118 -8.003 2.297 1.00 0.00 H new ATOM 0 HA ARG A 11 1.431 -8.126 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.885 -9.239 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.918 -10.145 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.879 -9.661 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.050 -8.432 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.331 -10.567 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.652 -10.094 5.550 1.00 0.00 H new ATOM 0 HE ARG A 11 1.547 -11.751 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.959 -12.067 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.079 -13.821 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.702 -13.997 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.813 -14.901 4.451 1.00 0.00 H new ATOM 179 N ILE A 12 0.336 -6.471 2.644 1.00 0.00 N ATOM 180 CA ILE A 12 -0.223 -5.347 3.367 1.00 0.00 C ATOM 181 C ILE A 12 -0.668 -5.795 4.753 1.00 0.00 C ATOM 182 O ILE A 12 -1.597 -6.598 4.892 1.00 0.00 O ATOM 183 CB ILE A 12 -1.432 -4.727 2.626 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.069 -4.403 1.173 1.00 0.00 C ATOM 185 CG2 ILE A 12 -1.915 -3.474 3.348 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.216 -3.831 0.365 1.00 0.00 C ATOM 0 H ILE A 12 -0.328 -6.968 2.050 1.00 0.00 H new ATOM 0 HA ILE A 12 0.556 -4.588 3.444 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.241 -5.457 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.243 -3.692 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.713 -5.311 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.765 -3.051 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.217 -3.732 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.109 -2.741 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.879 -3.628 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.036 -4.548 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.559 -2.904 0.825 1.00 0.00 H new ATOM 198 N THR A 13 0.007 -5.289 5.771 1.00 0.00 N ATOM 199 CA THR A 13 -0.334 -5.601 7.148 1.00 0.00 C ATOM 200 C THR A 13 -1.676 -4.981 7.509 1.00 0.00 C ATOM 201 O THR A 13 -2.473 -5.565 8.246 1.00 0.00 O ATOM 202 CB THR A 13 0.738 -5.077 8.110 1.00 0.00 C ATOM 203 OG1 THR A 13 2.039 -5.312 7.560 1.00 0.00 O ATOM 204 CG2 THR A 13 0.630 -5.752 9.469 1.00 0.00 C ATOM 0 H THR A 13 0.800 -4.656 5.668 1.00 0.00 H new ATOM 0 HA THR A 13 -0.393 -6.685 7.242 1.00 0.00 H new ATOM 0 HB THR A 13 0.582 -4.006 8.243 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.721 -4.974 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.402 -5.361 10.132 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.352 -5.551 9.898 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.762 -6.828 9.352 1.00 0.00 H new ATOM 212 N GLY A 14 -1.927 -3.806 6.953 1.00 0.00 N ATOM 213 CA GLY A 14 -3.144 -3.090 7.234 1.00 0.00 C ATOM 214 C GLY A 14 -2.995 -1.622 6.922 1.00 0.00 C ATOM 215 O GLY A 14 -2.178 -1.244 6.081 1.00 0.00 O ATOM 0 H GLY A 14 -1.297 -3.334 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.960 -3.509 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.410 -3.217 8.283 1.00 0.00 H new ATOM 219 N TYR A 15 -3.764 -0.793 7.600 1.00 0.00 N ATOM 220 CA TYR A 15 -3.699 0.643 7.387 1.00 0.00 C ATOM 221 C TYR A 15 -2.875 1.296 8.482 1.00 0.00 C ATOM 222 O TYR A 15 -2.798 0.790 9.604 1.00 0.00 O ATOM 223 CB TYR A 15 -5.099 1.255 7.373 1.00 0.00 C ATOM 224 CG TYR A 15 -6.035 0.637 6.360 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.074 1.098 5.051 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.887 -0.402 6.716 1.00 0.00 C ATOM 227 CE1 TYR A 15 -6.932 0.540 4.124 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.749 -0.966 5.794 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.767 -0.490 4.501 1.00 0.00 C ATOM 230 OH TYR A 15 -8.621 -1.044 3.580 1.00 0.00 O ATOM 0 H TYR A 15 -4.442 -1.087 8.303 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.228 0.820 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.538 1.154 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.015 2.322 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.423 1.906 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.875 -0.775 7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.949 0.909 3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.404 -1.774 6.085 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.220 -0.988 2.687 1.00 0.00 H new ATOM 240 N SER A 16 -2.255 2.409 8.149 1.00 0.00 N ATOM 241 CA SER A 16 -1.488 3.177 9.111 1.00 0.00 C ATOM 242 C SER A 16 -2.437 3.873 10.082 1.00 0.00 C ATOM 243 O SER A 16 -3.491 4.361 9.676 1.00 0.00 O ATOM 244 CB SER A 16 -0.614 4.200 8.377 1.00 0.00 C ATOM 245 OG SER A 16 0.249 4.897 9.263 1.00 0.00 O ATOM 0 H SER A 16 -2.267 2.806 7.210 1.00 0.00 H new ATOM 0 HA SER A 16 -0.837 2.511 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.020 3.691 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.252 4.914 7.856 1.00 0.00 H new ATOM 0 HG SER A 16 0.933 5.373 8.747 1.00 0.00 H new ATOM 251 N PRO A 17 -2.086 3.917 11.380 1.00 0.00 N ATOM 252 CA PRO A 17 -2.909 4.575 12.401 1.00 0.00 C ATOM 253 C PRO A 17 -3.155 6.049 12.089 1.00 0.00 C ATOM 254 O PRO A 17 -4.116 6.650 12.571 1.00 0.00 O ATOM 255 CB PRO A 17 -2.078 4.435 13.680 1.00 0.00 C ATOM 256 CG PRO A 17 -1.175 3.280 13.426 1.00 0.00 C ATOM 257 CD PRO A 17 -0.874 3.312 11.957 1.00 0.00 C ATOM 0 HA PRO A 17 -3.900 4.127 12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.510 5.343 13.883 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.714 4.256 14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.261 3.361 14.014 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.652 2.341 13.707 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.015 3.905 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.695 2.313 11.561 1.00 0.00 H new ATOM 265 N ALA A 18 -2.293 6.619 11.255 1.00 0.00 N ATOM 266 CA ALA A 18 -2.376 8.031 10.908 1.00 0.00 C ATOM 267 C ALA A 18 -3.172 8.246 9.622 1.00 0.00 C ATOM 268 O ALA A 18 -3.109 9.315 9.016 1.00 0.00 O ATOM 269 CB ALA A 18 -0.978 8.614 10.763 1.00 0.00 C ATOM 0 H ALA A 18 -1.525 6.121 10.805 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.900 8.545 11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.049 9.670 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.440 8.507 11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.442 8.083 9.977 1.00 0.00 H new ATOM 275 N ILE A 19 -3.922 7.233 9.210 1.00 0.00 N ATOM 276 CA ILE A 19 -4.735 7.330 8.004 1.00 0.00 C ATOM 277 C ILE A 19 -5.938 8.248 8.243 1.00 0.00 C ATOM 278 O ILE A 19 -6.376 8.427 9.380 1.00 0.00 O ATOM 279 CB ILE A 19 -5.213 5.935 7.528 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.770 6.014 6.103 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.259 5.366 8.480 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.139 4.670 5.523 1.00 0.00 C ATOM 0 H ILE A 19 -3.985 6.336 9.692 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.112 7.757 7.218 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.354 5.264 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.651 6.655 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.030 6.488 5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.579 4.386 8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.829 5.268 9.477 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.118 6.036 8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.526 4.804 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.256 4.032 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.902 4.202 6.145 1.00 0.00 H new ATOM 294 N SER A 20 -6.457 8.838 7.180 1.00 0.00 N ATOM 295 CA SER A 20 -7.574 9.763 7.292 1.00 0.00 C ATOM 296 C SER A 20 -8.900 9.006 7.325 1.00 0.00 C ATOM 297 O SER A 20 -9.060 7.976 6.658 1.00 0.00 O ATOM 298 CB SER A 20 -7.552 10.754 6.124 1.00 0.00 C ATOM 299 OG SER A 20 -8.511 11.782 6.297 1.00 0.00 O ATOM 0 H SER A 20 -6.123 8.693 6.227 1.00 0.00 H new ATOM 0 HA SER A 20 -7.476 10.316 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.558 11.193 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.749 10.224 5.192 1.00 0.00 H new ATOM 0 HG SER A 20 -8.471 12.398 5.536 1.00 0.00 H new ATOM 305 N ASN A 21 -9.843 9.513 8.112 1.00 0.00 N ATOM 306 CA ASN A 21 -11.165 8.909 8.223 1.00 0.00 C ATOM 307 C ASN A 21 -11.897 8.982 6.891 1.00 0.00 C ATOM 308 O ASN A 21 -11.919 10.028 6.243 1.00 0.00 O ATOM 309 CB ASN A 21 -11.978 9.616 9.307 1.00 0.00 C ATOM 310 CG ASN A 21 -13.324 8.964 9.545 1.00 0.00 C ATOM 311 OD1 ASN A 21 -14.329 9.337 8.938 1.00 0.00 O ATOM 312 ND2 ASN A 21 -13.353 7.990 10.440 1.00 0.00 N ATOM 0 H ASN A 21 -9.714 10.346 8.686 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.045 7.861 8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.410 9.619 10.238 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.128 10.657 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.232 7.517 10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.497 7.713 10.920 1.00 0.00 H new ATOM 319 N GLY A 22 -12.474 7.864 6.475 1.00 0.00 N ATOM 320 CA GLY A 22 -13.152 7.804 5.195 1.00 0.00 C ATOM 321 C GLY A 22 -12.197 7.462 4.069 1.00 0.00 C ATOM 322 O GLY A 22 -12.563 6.772 3.120 1.00 0.00 O ATOM 0 H GLY A 22 -12.485 6.992 7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.945 7.058 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.627 8.763 4.990 1.00 0.00 H new ATOM 326 N TYR A 23 -10.959 7.927 4.187 1.00 0.00 N ATOM 327 CA TYR A 23 -9.925 7.617 3.208 1.00 0.00 C ATOM 328 C TYR A 23 -9.616 6.125 3.248 1.00 0.00 C ATOM 329 O TYR A 23 -9.357 5.498 2.224 1.00 0.00 O ATOM 330 CB TYR A 23 -8.668 8.436 3.500 1.00 0.00 C ATOM 331 CG TYR A 23 -7.608 8.351 2.424 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.757 9.039 1.230 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.453 7.600 2.611 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.788 8.979 0.247 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.480 7.534 1.631 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.650 8.228 0.452 1.00 0.00 C ATOM 337 OH TYR A 23 -4.677 8.177 -0.524 1.00 0.00 O ATOM 0 H TYR A 23 -10.646 8.522 4.954 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.279 7.875 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.951 9.480 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.239 8.099 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.645 9.632 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.314 7.060 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.921 9.519 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.591 6.941 1.788 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.940 7.605 -0.222 1.00 0.00 H new ATOM 347 N ARG A 24 -9.669 5.566 4.453 1.00 0.00 N ATOM 348 CA ARG A 24 -9.526 4.129 4.661 1.00 0.00 C ATOM 349 C ARG A 24 -10.601 3.382 3.891 1.00 0.00 C ATOM 350 O ARG A 24 -10.338 2.370 3.243 1.00 0.00 O ATOM 351 CB ARG A 24 -9.660 3.823 6.156 1.00 0.00 C ATOM 352 CG ARG A 24 -9.448 2.363 6.509 1.00 0.00 C ATOM 353 CD ARG A 24 -9.986 2.036 7.896 1.00 0.00 C ATOM 354 NE ARG A 24 -9.469 2.941 8.926 1.00 0.00 N ATOM 355 CZ ARG A 24 -8.790 2.540 10.004 1.00 0.00 C ATOM 356 NH1 ARG A 24 -8.520 1.252 10.188 1.00 0.00 N ATOM 357 NH2 ARG A 24 -8.397 3.428 10.907 1.00 0.00 N ATOM 0 H ARG A 24 -9.812 6.096 5.313 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.548 3.808 4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.939 4.427 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.652 4.127 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.943 1.734 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.384 2.129 6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.075 2.091 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.721 1.010 8.152 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.638 3.940 8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.832 0.563 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.001 0.953 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.613 4.416 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.878 3.123 11.731 1.00 0.00 H new ATOM 371 N GLN A 25 -11.809 3.909 3.961 1.00 0.00 N ATOM 372 CA GLN A 25 -12.953 3.320 3.304 1.00 0.00 C ATOM 373 C GLN A 25 -12.797 3.385 1.790 1.00 0.00 C ATOM 374 O GLN A 25 -13.190 2.465 1.073 1.00 0.00 O ATOM 375 CB GLN A 25 -14.203 4.060 3.757 1.00 0.00 C ATOM 376 CG GLN A 25 -14.427 3.982 5.259 1.00 0.00 C ATOM 377 CD GLN A 25 -15.483 4.950 5.756 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.398 5.446 6.882 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.490 5.209 4.940 1.00 0.00 N ATOM 0 H GLN A 25 -12.022 4.762 4.479 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.035 2.267 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.127 5.106 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.070 3.645 3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.721 2.966 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.487 4.186 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.522 4.777 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.235 5.840 5.234 1.00 0.00 H new ATOM 388 N ARG A 26 -12.211 4.475 1.314 1.00 0.00 N ATOM 389 CA ARG A 26 -11.934 4.632 -0.104 1.00 0.00 C ATOM 390 C ARG A 26 -10.865 3.645 -0.545 1.00 0.00 C ATOM 391 O ARG A 26 -10.960 3.047 -1.613 1.00 0.00 O ATOM 392 CB ARG A 26 -11.485 6.062 -0.402 1.00 0.00 C ATOM 393 CG ARG A 26 -11.332 6.362 -1.887 1.00 0.00 C ATOM 394 CD ARG A 26 -11.097 7.845 -2.130 1.00 0.00 C ATOM 395 NE ARG A 26 -12.220 8.650 -1.655 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.096 9.826 -1.046 1.00 0.00 C ATOM 397 NH1 ARG A 26 -10.899 10.379 -0.876 1.00 0.00 N ATOM 398 NH2 ARG A 26 -13.181 10.454 -0.618 1.00 0.00 N ATOM 0 H ARG A 26 -11.919 5.264 1.891 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.849 4.429 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.208 6.756 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.533 6.245 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.498 5.788 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.228 6.042 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.184 8.158 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.947 8.021 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.162 8.286 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.064 9.901 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.816 11.281 -0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.101 10.035 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.097 11.356 -0.150 1.00 0.00 H new ATOM 412 N LEU A 27 -9.859 3.466 0.298 1.00 0.00 N ATOM 413 CA LEU A 27 -8.774 2.535 0.006 1.00 0.00 C ATOM 414 C LEU A 27 -9.302 1.108 -0.040 1.00 0.00 C ATOM 415 O LEU A 27 -8.960 0.333 -0.936 1.00 0.00 O ATOM 416 CB LEU A 27 -7.658 2.654 1.044 1.00 0.00 C ATOM 417 CG LEU A 27 -6.876 3.967 1.013 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.764 3.948 2.046 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.309 4.219 -0.376 1.00 0.00 C ATOM 0 H LEU A 27 -9.769 3.952 1.190 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.360 2.790 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.092 2.532 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.959 1.830 0.898 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.560 4.780 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.218 4.891 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.192 3.815 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.082 3.125 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.756 5.158 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.640 3.403 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.124 4.277 -1.097 1.00 0.00 H new ATOM 431 N PHE A 28 -10.148 0.777 0.924 1.00 0.00 N ATOM 432 CA PHE A 28 -10.812 -0.519 0.952 1.00 0.00 C ATOM 433 C PHE A 28 -11.615 -0.726 -0.323 1.00 0.00 C ATOM 434 O PHE A 28 -11.541 -1.776 -0.958 1.00 0.00 O ATOM 435 CB PHE A 28 -11.736 -0.604 2.164 1.00 0.00 C ATOM 436 CG PHE A 28 -12.293 -1.978 2.410 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.516 -2.956 3.014 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.590 -2.293 2.036 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.023 -4.221 3.239 1.00 0.00 C ATOM 440 CE2 PHE A 28 -14.103 -3.558 2.261 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.318 -4.522 2.863 1.00 0.00 C ATOM 0 H PHE A 28 -10.392 1.391 1.701 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.055 -1.300 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.188 -0.281 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.563 0.093 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.504 -2.726 3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.207 -1.543 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.408 -4.974 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.116 -3.791 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.716 -5.510 3.040 1.00 0.00 H new ATOM 451 N SER A 29 -12.367 0.301 -0.693 1.00 0.00 N ATOM 452 CA SER A 29 -13.182 0.275 -1.900 1.00 0.00 C ATOM 453 C SER A 29 -12.312 0.091 -3.140 1.00 0.00 C ATOM 454 O SER A 29 -12.727 -0.532 -4.120 1.00 0.00 O ATOM 455 CB SER A 29 -13.972 1.578 -2.007 1.00 0.00 C ATOM 456 OG SER A 29 -15.000 1.492 -2.981 1.00 0.00 O ATOM 0 H SER A 29 -12.430 1.173 -0.167 1.00 0.00 H new ATOM 0 HA SER A 29 -13.870 -0.568 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.409 1.819 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.296 2.393 -2.263 1.00 0.00 H new ATOM 0 HG SER A 29 -15.485 2.343 -3.021 1.00 0.00 H new ATOM 462 N MET A 30 -11.104 0.636 -3.088 1.00 0.00 N ATOM 463 CA MET A 30 -10.171 0.536 -4.205 1.00 0.00 C ATOM 464 C MET A 30 -9.576 -0.863 -4.291 1.00 0.00 C ATOM 465 O MET A 30 -9.111 -1.286 -5.348 1.00 0.00 O ATOM 466 CB MET A 30 -9.051 1.570 -4.079 1.00 0.00 C ATOM 467 CG MET A 30 -9.503 2.996 -4.346 1.00 0.00 C ATOM 468 SD MET A 30 -8.156 4.188 -4.209 1.00 0.00 S ATOM 469 CE MET A 30 -7.067 3.637 -5.523 1.00 0.00 C ATOM 0 H MET A 30 -10.746 1.152 -2.284 1.00 0.00 H new ATOM 0 HA MET A 30 -10.729 0.737 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.628 1.514 -3.076 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.253 1.315 -4.776 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.935 3.055 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.291 3.261 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.404 4.453 -5.813 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.472 2.793 -5.173 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.661 3.330 -6.383 1.00 0.00 H new ATOM 479 N GLY A 31 -9.602 -1.577 -3.177 1.00 0.00 N ATOM 480 CA GLY A 31 -9.084 -2.929 -3.156 1.00 0.00 C ATOM 481 C GLY A 31 -7.789 -3.037 -2.380 1.00 0.00 C ATOM 482 O GLY A 31 -7.057 -4.017 -2.515 1.00 0.00 O ATOM 0 H GLY A 31 -9.972 -1.245 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.826 -3.593 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.921 -3.269 -4.179 1.00 0.00 H new ATOM 486 N LEU A 32 -7.503 -2.024 -1.574 1.00 0.00 N ATOM 487 CA LEU A 32 -6.301 -2.015 -0.752 1.00 0.00 C ATOM 488 C LEU A 32 -6.663 -2.322 0.695 1.00 0.00 C ATOM 489 O LEU A 32 -7.096 -1.440 1.433 1.00 0.00 O ATOM 490 CB LEU A 32 -5.603 -0.655 -0.844 1.00 0.00 C ATOM 491 CG LEU A 32 -5.185 -0.231 -2.255 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.620 1.180 -2.242 1.00 0.00 C ATOM 493 CD2 LEU A 32 -4.164 -1.209 -2.821 1.00 0.00 C ATOM 0 H LEU A 32 -8.089 -1.195 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.617 -2.781 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.269 0.105 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.716 -0.676 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.067 -0.242 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.328 1.464 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.378 1.872 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.748 1.217 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.876 -0.895 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.283 -1.227 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.601 -2.207 -2.865 1.00 0.00 H new ATOM 505 N LEU A 33 -6.515 -3.578 1.085 1.00 0.00 N ATOM 506 CA LEU A 33 -6.882 -4.016 2.419 1.00 0.00 C ATOM 507 C LEU A 33 -5.797 -4.919 2.998 1.00 0.00 C ATOM 508 O LEU A 33 -4.966 -5.448 2.257 1.00 0.00 O ATOM 509 CB LEU A 33 -8.221 -4.769 2.385 1.00 0.00 C ATOM 510 CG LEU A 33 -8.233 -6.081 1.589 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.356 -6.983 2.076 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.395 -5.808 0.099 1.00 0.00 C ATOM 0 H LEU A 33 -6.140 -4.316 0.490 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.987 -3.136 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.520 -4.986 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.978 -4.106 1.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.279 -6.584 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.353 -7.910 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.209 -7.209 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.312 -6.477 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.401 -6.752 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.334 -5.283 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.566 -5.193 -0.250 1.00 0.00 H new ATOM 524 N PRO A 34 -5.779 -5.094 4.331 1.00 0.00 N ATOM 525 CA PRO A 34 -4.860 -6.024 4.988 1.00 0.00 C ATOM 526 C PRO A 34 -5.073 -7.450 4.492 1.00 0.00 C ATOM 527 O PRO A 34 -6.208 -7.931 4.429 1.00 0.00 O ATOM 528 CB PRO A 34 -5.217 -5.912 6.477 1.00 0.00 C ATOM 529 CG PRO A 34 -6.566 -5.278 6.515 1.00 0.00 C ATOM 530 CD PRO A 34 -6.646 -4.402 5.299 1.00 0.00 C ATOM 0 HA PRO A 34 -3.816 -5.787 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.230 -6.893 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.484 -5.308 7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.352 -6.033 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.697 -4.694 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.669 -4.313 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.293 -3.392 5.506 1.00 0.00 H new ATOM 538 N GLY A 35 -3.991 -8.119 4.132 1.00 0.00 N ATOM 539 CA GLY A 35 -4.097 -9.471 3.621 1.00 0.00 C ATOM 540 C GLY A 35 -3.939 -9.529 2.118 1.00 0.00 C ATOM 541 O GLY A 35 -4.177 -10.565 1.498 1.00 0.00 O ATOM 0 H GLY A 35 -3.041 -7.752 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.335 -10.095 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.065 -9.888 3.899 1.00 0.00 H new ATOM 545 N ALA A 36 -3.545 -8.413 1.529 1.00 0.00 N ATOM 546 CA ALA A 36 -3.300 -8.344 0.107 1.00 0.00 C ATOM 547 C ALA A 36 -1.820 -8.146 -0.146 1.00 0.00 C ATOM 548 O ALA A 36 -1.200 -7.247 0.410 1.00 0.00 O ATOM 549 CB ALA A 36 -4.110 -7.221 -0.518 1.00 0.00 C ATOM 0 H ALA A 36 -3.388 -7.535 2.024 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.613 -9.280 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.913 -7.183 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.172 -7.401 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.827 -6.272 -0.064 1.00 0.00 H new ATOM 555 N ALA A 37 -1.247 -9.014 -0.942 1.00 0.00 N ATOM 556 CA ALA A 37 0.157 -8.911 -1.295 1.00 0.00 C ATOM 557 C ALA A 37 0.336 -8.279 -2.668 1.00 0.00 C ATOM 558 O ALA A 37 -0.404 -8.577 -3.608 1.00 0.00 O ATOM 559 CB ALA A 37 0.819 -10.274 -1.244 1.00 0.00 C ATOM 0 H ALA A 37 -1.731 -9.807 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 37 0.640 -8.262 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.871 -10.178 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.737 -10.681 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.326 -10.945 -1.948 1.00 0.00 H new ATOM 565 N LEU A 38 1.326 -7.406 -2.762 1.00 0.00 N ATOM 566 CA LEU A 38 1.651 -6.714 -3.999 1.00 0.00 C ATOM 567 C LEU A 38 3.071 -7.058 -4.411 1.00 0.00 C ATOM 568 O LEU A 38 3.952 -7.204 -3.563 1.00 0.00 O ATOM 569 CB LEU A 38 1.533 -5.198 -3.809 1.00 0.00 C ATOM 570 CG LEU A 38 0.194 -4.706 -3.252 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.224 -3.202 -3.043 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.947 -5.085 -4.183 1.00 0.00 C ATOM 0 H LEU A 38 1.930 -7.156 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 38 0.952 -7.030 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.328 -4.870 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.707 -4.714 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 38 0.029 -5.188 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.736 -2.870 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.015 -2.948 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.414 -2.706 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.889 -4.726 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.785 -4.632 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.986 -6.169 -4.288 1.00 0.00 H new ATOM 584 N ARG A 39 3.289 -7.222 -5.700 1.00 0.00 N ATOM 585 CA ARG A 39 4.627 -7.416 -6.214 1.00 0.00 C ATOM 586 C ARG A 39 5.144 -6.099 -6.759 1.00 0.00 C ATOM 587 O ARG A 39 4.356 -5.236 -7.145 1.00 0.00 O ATOM 588 CB ARG A 39 4.655 -8.489 -7.296 1.00 0.00 C ATOM 589 CG ARG A 39 3.782 -8.191 -8.499 1.00 0.00 C ATOM 590 CD ARG A 39 2.422 -8.867 -8.399 1.00 0.00 C ATOM 591 NE ARG A 39 2.541 -10.322 -8.369 1.00 0.00 N ATOM 592 CZ ARG A 39 2.042 -11.127 -9.307 1.00 0.00 C ATOM 593 NH1 ARG A 39 1.324 -10.629 -10.309 1.00 0.00 N ATOM 594 NH2 ARG A 39 2.241 -12.438 -9.234 1.00 0.00 N ATOM 0 H ARG A 39 2.556 -7.225 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 39 5.270 -7.756 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.683 -8.621 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.339 -9.436 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.645 -7.113 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.287 -8.525 -9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.912 -8.525 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.805 -8.570 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 39 3.035 -10.747 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.152 -9.625 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.945 -11.251 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.776 -12.830 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.859 -13.053 -9.953 1.00 0.00 H new ATOM 608 N VAL A 40 6.451 -5.933 -6.778 1.00 0.00 N ATOM 609 CA VAL A 40 7.037 -4.682 -7.222 1.00 0.00 C ATOM 610 C VAL A 40 7.435 -4.760 -8.692 1.00 0.00 C ATOM 611 O VAL A 40 8.098 -5.706 -9.128 1.00 0.00 O ATOM 612 CB VAL A 40 8.252 -4.273 -6.353 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.405 -5.247 -6.504 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.692 -2.858 -6.686 1.00 0.00 C ATOM 0 H VAL A 40 7.125 -6.643 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 40 6.275 -3.911 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 40 7.937 -4.303 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.238 -4.925 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.084 -6.242 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.724 -5.275 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.547 -2.587 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.974 -2.803 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.871 -2.167 -6.494 1.00 0.00 H new ATOM 624 N VAL A 41 6.984 -3.779 -9.453 1.00 0.00 N ATOM 625 CA VAL A 41 7.350 -3.656 -10.852 1.00 0.00 C ATOM 626 C VAL A 41 8.636 -2.849 -10.973 1.00 0.00 C ATOM 627 O VAL A 41 9.599 -3.292 -11.593 1.00 0.00 O ATOM 628 CB VAL A 41 6.229 -2.978 -11.674 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.663 -2.755 -13.115 1.00 0.00 C ATOM 630 CG2 VAL A 41 4.952 -3.807 -11.622 1.00 0.00 C ATOM 0 H VAL A 41 6.356 -3.048 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 41 7.501 -4.658 -11.253 1.00 0.00 H new ATOM 0 HB VAL A 41 6.029 -2.003 -11.229 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.855 -2.277 -13.669 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.545 -2.114 -13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.901 -3.714 -13.576 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.174 -3.314 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.144 -4.797 -12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.623 -3.903 -10.587 1.00 0.00 H new ATOM 640 N ARG A 42 8.644 -1.672 -10.352 1.00 0.00 N ATOM 641 CA ARG A 42 9.813 -0.790 -10.361 1.00 0.00 C ATOM 642 C ARG A 42 9.763 0.181 -9.191 1.00 0.00 C ATOM 643 O ARG A 42 8.712 0.750 -8.899 1.00 0.00 O ATOM 644 CB ARG A 42 9.923 0.030 -11.654 1.00 0.00 C ATOM 645 CG ARG A 42 10.450 -0.737 -12.855 1.00 0.00 C ATOM 646 CD ARG A 42 11.024 0.207 -13.899 1.00 0.00 C ATOM 647 NE ARG A 42 12.205 0.919 -13.393 1.00 0.00 N ATOM 648 CZ ARG A 42 12.803 1.929 -14.026 1.00 0.00 C ATOM 649 NH1 ARG A 42 12.332 2.370 -15.186 1.00 0.00 N ATOM 650 NH2 ARG A 42 13.874 2.505 -13.492 1.00 0.00 N ATOM 0 H ARG A 42 7.848 -1.303 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 42 10.683 -1.443 -10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.939 0.428 -11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.576 0.884 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.219 -1.439 -12.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.646 -1.326 -13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.293 -0.357 -14.792 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.263 0.929 -14.196 1.00 0.00 H new ATOM 0 HE ARG A 42 12.593 0.621 -12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.507 1.936 -15.600 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.795 3.143 -15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.239 2.175 -12.598 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.332 3.278 -13.975 1.00 0.00 H new ATOM 664 N ILE A 43 10.897 0.367 -8.529 1.00 0.00 N ATOM 665 CA ILE A 43 11.023 1.379 -7.491 1.00 0.00 C ATOM 666 C ILE A 43 11.642 2.633 -8.090 1.00 0.00 C ATOM 667 O ILE A 43 12.667 2.555 -8.770 1.00 0.00 O ATOM 668 CB ILE A 43 11.910 0.923 -6.298 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.455 -0.429 -5.736 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.904 1.978 -5.194 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.995 -1.624 -6.496 1.00 0.00 C ATOM 0 H ILE A 43 11.746 -0.173 -8.694 1.00 0.00 H new ATOM 0 HA ILE A 43 10.019 1.564 -7.108 1.00 0.00 H new ATOM 0 HB ILE A 43 12.926 0.804 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.768 -0.502 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.366 -0.467 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.530 1.643 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.294 2.917 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.884 2.128 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.629 -2.543 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.661 -1.577 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.085 -1.613 -6.465 1.00 0.00 H new ATOM 683 N ALA A 44 11.016 3.777 -7.859 1.00 0.00 N ATOM 684 CA ALA A 44 11.563 5.036 -8.332 1.00 0.00 C ATOM 685 C ALA A 44 12.827 5.380 -7.554 1.00 0.00 C ATOM 686 O ALA A 44 12.833 5.338 -6.324 1.00 0.00 O ATOM 687 CB ALA A 44 10.533 6.149 -8.219 1.00 0.00 C ATOM 0 H ALA A 44 10.135 3.858 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 44 11.823 4.931 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.965 7.083 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.659 5.898 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.236 6.265 -7.177 1.00 0.00 H new ATOM 693 N PRO A 45 13.911 5.740 -8.265 1.00 0.00 N ATOM 694 CA PRO A 45 15.221 6.016 -7.649 1.00 0.00 C ATOM 695 C PRO A 45 15.214 7.259 -6.754 1.00 0.00 C ATOM 696 O PRO A 45 16.257 7.673 -6.241 1.00 0.00 O ATOM 697 CB PRO A 45 16.150 6.242 -8.852 1.00 0.00 C ATOM 698 CG PRO A 45 15.409 5.714 -10.035 1.00 0.00 C ATOM 699 CD PRO A 45 13.954 5.901 -9.726 1.00 0.00 C ATOM 0 HA PRO A 45 15.527 5.199 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.382 7.300 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.098 5.721 -8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.688 6.251 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.640 4.662 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.597 6.883 -10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.334 5.162 -10.233 1.00 0.00 H new ATOM 707 N LEU A 46 14.042 7.852 -6.578 1.00 0.00 N ATOM 708 CA LEU A 46 13.895 9.031 -5.736 1.00 0.00 C ATOM 709 C LEU A 46 13.318 8.648 -4.378 1.00 0.00 C ATOM 710 O LEU A 46 13.520 9.349 -3.390 1.00 0.00 O ATOM 711 CB LEU A 46 12.977 10.071 -6.404 1.00 0.00 C ATOM 712 CG LEU A 46 13.474 10.683 -7.724 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.919 11.136 -7.602 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.305 9.713 -8.886 1.00 0.00 C ATOM 0 H LEU A 46 13.174 7.534 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 46 14.884 9.467 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.010 9.603 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.809 10.882 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 46 12.860 11.559 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.247 11.565 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.000 11.887 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.548 10.281 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.666 10.178 -9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.877 8.806 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.251 9.460 -8.998 1.00 0.00 H new ATOM 726 N GLY A 47 12.619 7.522 -4.341 1.00 0.00 N ATOM 727 CA GLY A 47 11.867 7.148 -3.155 1.00 0.00 C ATOM 728 C GLY A 47 10.410 7.529 -3.308 1.00 0.00 C ATOM 729 O GLY A 47 9.544 7.076 -2.560 1.00 0.00 O ATOM 0 H GLY A 47 12.558 6.858 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.952 6.074 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.288 7.642 -2.280 1.00 0.00 H new ATOM 733 N ASP A 48 10.167 8.392 -4.286 1.00 0.00 N ATOM 734 CA ASP A 48 8.824 8.744 -4.730 1.00 0.00 C ATOM 735 C ASP A 48 8.139 7.519 -5.337 1.00 0.00 C ATOM 736 O ASP A 48 8.796 6.499 -5.525 1.00 0.00 O ATOM 737 CB ASP A 48 8.885 9.914 -5.718 1.00 0.00 C ATOM 738 CG ASP A 48 8.368 11.204 -5.106 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.378 11.154 -4.340 1.00 0.00 O ATOM 740 OD2 ASP A 48 8.923 12.277 -5.413 1.00 0.00 O ATOM 0 H ASP A 48 10.906 8.873 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 48 8.229 9.068 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.914 10.056 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.297 9.672 -6.603 1.00 0.00 H new ATOM 745 N PRO A 49 6.811 7.602 -5.623 1.00 0.00 N ATOM 746 CA PRO A 49 5.932 6.458 -5.906 1.00 0.00 C ATOM 747 C PRO A 49 6.583 5.252 -6.574 1.00 0.00 C ATOM 748 O PRO A 49 7.491 5.361 -7.399 1.00 0.00 O ATOM 749 CB PRO A 49 4.867 7.045 -6.844 1.00 0.00 C ATOM 750 CG PRO A 49 5.148 8.513 -6.919 1.00 0.00 C ATOM 751 CD PRO A 49 6.036 8.828 -5.752 1.00 0.00 C ATOM 0 HA PRO A 49 5.567 6.051 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.921 6.586 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.864 6.859 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.636 8.769 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.224 9.089 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.670 9.694 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.463 9.046 -4.850 1.00 0.00 H new ATOM 759 N ILE A 50 6.008 4.106 -6.283 1.00 0.00 N ATOM 760 CA ILE A 50 6.570 2.838 -6.695 1.00 0.00 C ATOM 761 C ILE A 50 5.572 2.090 -7.555 1.00 0.00 C ATOM 762 O ILE A 50 4.389 2.011 -7.218 1.00 0.00 O ATOM 763 CB ILE A 50 6.941 1.976 -5.463 1.00 0.00 C ATOM 764 CG1 ILE A 50 7.957 2.713 -4.585 1.00 0.00 C ATOM 765 CG2 ILE A 50 7.487 0.619 -5.890 1.00 0.00 C ATOM 766 CD1 ILE A 50 8.303 1.978 -3.306 1.00 0.00 C ATOM 0 H ILE A 50 5.139 4.026 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 50 7.475 3.033 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 50 6.035 1.806 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.870 2.875 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.560 3.696 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.740 0.034 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.732 0.090 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.380 0.761 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.027 2.560 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.401 1.839 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.730 1.005 -3.550 1.00 0.00 H new ATOM 778 N GLN A 51 6.045 1.563 -8.671 1.00 0.00 N ATOM 779 CA GLN A 51 5.209 0.786 -9.553 1.00 0.00 C ATOM 780 C GLN A 51 5.065 -0.620 -8.993 1.00 0.00 C ATOM 781 O GLN A 51 6.046 -1.351 -8.884 1.00 0.00 O ATOM 782 CB GLN A 51 5.818 0.741 -10.954 1.00 0.00 C ATOM 783 CG GLN A 51 6.030 2.114 -11.569 1.00 0.00 C ATOM 784 CD GLN A 51 6.550 2.053 -12.994 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.245 1.113 -13.379 1.00 0.00 O ATOM 786 NE2 GLN A 51 6.227 3.067 -13.784 1.00 0.00 N ATOM 0 H GLN A 51 7.011 1.663 -8.984 1.00 0.00 H new ATOM 0 HA GLN A 51 4.225 1.249 -9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.775 0.221 -10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.168 0.157 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.087 2.661 -11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.734 2.676 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.649 3.827 -13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.557 3.087 -14.749 1.00 0.00 H new ATOM 795 N VAL A 52 3.857 -0.976 -8.602 1.00 0.00 N ATOM 796 CA VAL A 52 3.582 -2.299 -8.068 1.00 0.00 C ATOM 797 C VAL A 52 2.525 -2.992 -8.914 1.00 0.00 C ATOM 798 O VAL A 52 2.011 -2.404 -9.861 1.00 0.00 O ATOM 799 CB VAL A 52 3.116 -2.238 -6.596 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.202 -1.645 -5.710 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.821 -1.446 -6.463 1.00 0.00 C ATOM 0 H VAL A 52 3.043 -0.363 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 52 4.511 -2.868 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 52 2.922 -3.258 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.852 -1.612 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.098 -2.263 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.435 -0.635 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.517 -1.419 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.978 -0.429 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.040 -1.923 -7.056 1.00 0.00 H new ATOM 811 N GLU A 53 2.203 -4.229 -8.581 1.00 0.00 N ATOM 812 CA GLU A 53 1.237 -4.991 -9.347 1.00 0.00 C ATOM 813 C GLU A 53 0.344 -5.756 -8.375 1.00 0.00 C ATOM 814 O GLU A 53 0.827 -6.265 -7.360 1.00 0.00 O ATOM 815 CB GLU A 53 1.972 -5.938 -10.308 1.00 0.00 C ATOM 816 CG GLU A 53 1.201 -6.283 -11.576 1.00 0.00 C ATOM 817 CD GLU A 53 -0.042 -7.098 -11.306 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.081 -8.323 -11.086 1.00 0.00 O ATOM 819 OE2 GLU A 53 -1.147 -6.512 -11.296 1.00 0.00 O ATOM 0 H GLU A 53 2.598 -4.727 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 53 0.613 -4.331 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.922 -5.483 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.205 -6.862 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.921 -5.362 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.853 -6.837 -12.252 1.00 0.00 H new ATOM 826 N THR A 54 -0.942 -5.822 -8.677 1.00 0.00 N ATOM 827 CA THR A 54 -1.915 -6.369 -7.745 1.00 0.00 C ATOM 828 C THR A 54 -2.561 -7.651 -8.270 1.00 0.00 C ATOM 829 O THR A 54 -2.881 -8.555 -7.493 1.00 0.00 O ATOM 830 CB THR A 54 -3.015 -5.327 -7.455 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.410 -4.062 -7.159 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.898 -5.760 -6.288 1.00 0.00 C ATOM 0 H THR A 54 -1.337 -5.503 -9.562 1.00 0.00 H new ATOM 0 HA THR A 54 -1.378 -6.614 -6.829 1.00 0.00 H new ATOM 0 HB THR A 54 -3.644 -5.241 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.109 -3.400 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.662 -5.004 -6.110 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.376 -6.710 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.287 -5.876 -5.393 1.00 0.00 H new ATOM 840 N ARG A 55 -2.722 -7.742 -9.587 1.00 0.00 N ATOM 841 CA ARG A 55 -3.504 -8.814 -10.189 1.00 0.00 C ATOM 842 C ARG A 55 -3.514 -8.708 -11.715 1.00 0.00 C ATOM 843 O ARG A 55 -3.420 -9.718 -12.417 1.00 0.00 O ATOM 844 CB ARG A 55 -4.947 -8.761 -9.660 1.00 0.00 C ATOM 845 CG ARG A 55 -5.902 -9.750 -10.313 1.00 0.00 C ATOM 846 CD ARG A 55 -5.463 -11.191 -10.108 1.00 0.00 C ATOM 847 NE ARG A 55 -6.475 -12.134 -10.571 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.258 -13.076 -11.487 1.00 0.00 C ATOM 849 NH1 ARG A 55 -5.071 -13.170 -12.077 1.00 0.00 N ATOM 850 NH2 ARG A 55 -7.233 -13.915 -11.816 1.00 0.00 N ATOM 0 H ARG A 55 -2.321 -7.086 -10.257 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.042 -9.763 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.933 -8.946 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.335 -7.753 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.902 -9.614 -9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.967 -9.540 -11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.530 -11.367 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.262 -11.363 -9.051 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.409 -12.068 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.325 -12.520 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.906 -13.892 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.146 -13.837 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.069 -14.637 -12.517 1.00 0.00 H new ATOM 864 N GLN A 56 -3.615 -7.486 -12.223 1.00 0.00 N ATOM 865 CA GLN A 56 -3.857 -7.274 -13.645 1.00 0.00 C ATOM 866 C GLN A 56 -2.881 -6.274 -14.259 1.00 0.00 C ATOM 867 O GLN A 56 -2.307 -6.532 -15.317 1.00 0.00 O ATOM 868 CB GLN A 56 -5.291 -6.785 -13.855 1.00 0.00 C ATOM 869 CG GLN A 56 -6.347 -7.813 -13.478 1.00 0.00 C ATOM 870 CD GLN A 56 -6.466 -8.929 -14.496 1.00 0.00 C ATOM 871 OE1 GLN A 56 -5.775 -9.944 -14.414 1.00 0.00 O ATOM 872 NE2 GLN A 56 -7.355 -8.751 -15.461 1.00 0.00 N ATOM 0 H GLN A 56 -3.534 -6.630 -11.674 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.705 -8.229 -14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.448 -5.882 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.422 -6.509 -14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.103 -8.239 -12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.312 -7.316 -13.375 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.908 -7.895 -15.493 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.487 -9.470 -16.172 1.00 0.00 H new ATOM 881 N THR A 57 -2.690 -5.135 -13.603 1.00 0.00 N ATOM 882 CA THR A 57 -1.905 -4.055 -14.185 1.00 0.00 C ATOM 883 C THR A 57 -1.102 -3.325 -13.111 1.00 0.00 C ATOM 884 O THR A 57 -1.409 -3.421 -11.917 1.00 0.00 O ATOM 885 CB THR A 57 -2.813 -3.054 -14.947 1.00 0.00 C ATOM 886 OG1 THR A 57 -2.022 -2.116 -15.695 1.00 0.00 O ATOM 887 CG2 THR A 57 -3.724 -2.300 -13.990 1.00 0.00 C ATOM 0 H THR A 57 -3.065 -4.937 -12.675 1.00 0.00 H new ATOM 0 HA THR A 57 -1.209 -4.499 -14.897 1.00 0.00 H new ATOM 0 HB THR A 57 -3.429 -3.632 -15.636 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.613 -1.495 -16.170 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.348 -1.606 -14.553 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.358 -3.008 -13.457 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.119 -1.744 -13.273 1.00 0.00 H new ATOM 895 N SER A 58 -0.077 -2.603 -13.545 1.00 0.00 N ATOM 896 CA SER A 58 0.803 -1.880 -12.640 1.00 0.00 C ATOM 897 C SER A 58 0.080 -0.704 -11.981 1.00 0.00 C ATOM 898 O SER A 58 -0.801 -0.081 -12.582 1.00 0.00 O ATOM 899 CB SER A 58 2.034 -1.380 -13.400 1.00 0.00 C ATOM 900 OG SER A 58 2.677 -2.442 -14.083 1.00 0.00 O ATOM 0 H SER A 58 0.166 -2.503 -14.531 1.00 0.00 H new ATOM 0 HA SER A 58 1.116 -2.565 -11.852 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.737 -0.611 -14.113 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.732 -0.916 -12.703 1.00 0.00 H new ATOM 0 HG SER A 58 3.459 -2.097 -14.562 1.00 0.00 H new ATOM 906 N LEU A 59 0.454 -0.420 -10.745 1.00 0.00 N ATOM 907 CA LEU A 59 -0.113 0.685 -9.991 1.00 0.00 C ATOM 908 C LEU A 59 1.003 1.516 -9.370 1.00 0.00 C ATOM 909 O LEU A 59 2.034 0.979 -8.973 1.00 0.00 O ATOM 910 CB LEU A 59 -1.043 0.152 -8.896 1.00 0.00 C ATOM 911 CG LEU A 59 -1.662 1.208 -7.976 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.621 2.101 -8.744 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.373 0.543 -6.809 1.00 0.00 C ATOM 0 H LEU A 59 1.161 -0.950 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.691 1.316 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.849 -0.407 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.484 -0.554 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.858 1.832 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.048 2.843 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.084 2.607 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.421 1.495 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.808 1.307 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.163 -0.106 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.659 -0.050 -6.238 1.00 0.00 H new ATOM 925 N ALA A 60 0.797 2.821 -9.295 1.00 0.00 N ATOM 926 CA ALA A 60 1.778 3.718 -8.701 1.00 0.00 C ATOM 927 C ALA A 60 1.142 4.524 -7.574 1.00 0.00 C ATOM 928 O ALA A 60 0.147 5.223 -7.780 1.00 0.00 O ATOM 929 CB ALA A 60 2.361 4.647 -9.757 1.00 0.00 C ATOM 0 H ALA A 60 -0.044 3.285 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 60 2.589 3.119 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.092 5.310 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.847 4.056 -10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.562 5.241 -10.200 1.00 0.00 H new ATOM 935 N LEU A 61 1.709 4.409 -6.384 1.00 0.00 N ATOM 936 CA LEU A 61 1.208 5.128 -5.224 1.00 0.00 C ATOM 937 C LEU A 61 2.309 5.998 -4.634 1.00 0.00 C ATOM 938 O LEU A 61 3.465 5.583 -4.577 1.00 0.00 O ATOM 939 CB LEU A 61 0.662 4.139 -4.184 1.00 0.00 C ATOM 940 CG LEU A 61 1.627 3.031 -3.753 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.404 3.432 -2.510 1.00 0.00 C ATOM 942 CD2 LEU A 61 0.878 1.728 -3.520 1.00 0.00 C ATOM 0 H LEU A 61 2.521 3.821 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 61 0.390 5.779 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.362 4.700 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.238 3.675 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 61 2.343 2.878 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.081 2.625 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.980 4.334 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.709 3.625 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.582 0.954 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.134 1.871 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.381 1.424 -4.441 1.00 0.00 H new ATOM 954 N ARG A 62 1.945 7.202 -4.209 1.00 0.00 N ATOM 955 CA ARG A 62 2.911 8.175 -3.703 1.00 0.00 C ATOM 956 C ARG A 62 3.542 7.730 -2.392 1.00 0.00 C ATOM 957 O ARG A 62 3.098 6.774 -1.758 1.00 0.00 O ATOM 958 CB ARG A 62 2.246 9.538 -3.496 1.00 0.00 C ATOM 959 CG ARG A 62 2.248 10.433 -4.724 1.00 0.00 C ATOM 960 CD ARG A 62 3.623 11.033 -4.981 1.00 0.00 C ATOM 961 NE ARG A 62 3.619 11.933 -6.133 1.00 0.00 N ATOM 962 CZ ARG A 62 4.597 12.793 -6.423 1.00 0.00 C ATOM 963 NH1 ARG A 62 5.712 12.822 -5.708 1.00 0.00 N ATOM 964 NH2 ARG A 62 4.469 13.610 -7.455 1.00 0.00 N ATOM 0 H ARG A 62 0.980 7.532 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 62 3.697 8.253 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.215 9.381 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.754 10.057 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.934 9.857 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.520 11.234 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.952 11.578 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.343 10.232 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 62 2.813 11.901 -6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.832 12.181 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.451 13.485 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.625 13.581 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.215 14.269 -7.680 1.00 0.00 H new ATOM 978 N ARG A 63 4.570 8.461 -1.986 1.00 0.00 N ATOM 979 CA ARG A 63 5.246 8.212 -0.721 1.00 0.00 C ATOM 980 C ARG A 63 4.268 8.379 0.443 1.00 0.00 C ATOM 981 O ARG A 63 4.361 7.686 1.457 1.00 0.00 O ATOM 982 CB ARG A 63 6.441 9.158 -0.579 1.00 0.00 C ATOM 983 CG ARG A 63 6.064 10.630 -0.585 1.00 0.00 C ATOM 984 CD ARG A 63 7.276 11.524 -0.795 1.00 0.00 C ATOM 985 NE ARG A 63 8.317 11.308 0.213 1.00 0.00 N ATOM 986 CZ ARG A 63 8.950 12.294 0.848 1.00 0.00 C ATOM 987 NH1 ARG A 63 8.597 13.559 0.635 1.00 0.00 N ATOM 988 NH2 ARG A 63 9.927 12.017 1.701 1.00 0.00 N ATOM 0 H ARG A 63 4.957 9.239 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 63 5.615 7.186 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.964 8.931 0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.141 8.969 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.335 10.815 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.583 10.886 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.691 11.340 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.962 12.567 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 63 8.572 10.347 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.841 13.775 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.082 14.313 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.195 11.048 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.410 12.773 2.186 1.00 0.00 H new ATOM 1002 N LYS A 64 3.331 9.306 0.277 1.00 0.00 N ATOM 1003 CA LYS A 64 2.268 9.516 1.254 1.00 0.00 C ATOM 1004 C LYS A 64 1.374 8.283 1.349 1.00 0.00 C ATOM 1005 O LYS A 64 1.092 7.799 2.444 1.00 0.00 O ATOM 1006 CB LYS A 64 1.419 10.733 0.886 1.00 0.00 C ATOM 1007 CG LYS A 64 0.231 10.930 1.812 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.712 12.000 1.301 1.00 0.00 C ATOM 1009 CE LYS A 64 -1.986 12.033 2.120 1.00 0.00 C ATOM 1010 NZ LYS A 64 -2.948 13.035 1.602 1.00 0.00 N ATOM 0 H LYS A 64 3.286 9.928 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 64 2.738 9.694 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.044 11.626 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.061 10.623 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.309 9.989 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.586 11.204 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.222 12.973 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.952 11.810 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.449 11.046 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.745 12.263 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.807 13.027 2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.515 13.980 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.198 12.801 0.620 1.00 0.00 H new ATOM 1024 N ASP A 65 0.930 7.784 0.193 1.00 0.00 N ATOM 1025 CA ASP A 65 0.103 6.582 0.134 1.00 0.00 C ATOM 1026 C ASP A 65 0.820 5.425 0.813 1.00 0.00 C ATOM 1027 O ASP A 65 0.217 4.643 1.544 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.209 6.211 -1.321 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.009 7.273 -2.054 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.422 8.305 -2.439 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.225 7.082 -2.262 1.00 0.00 O ATOM 0 H ASP A 65 1.132 8.198 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.834 6.783 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.727 6.039 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.763 5.272 -1.338 1.00 0.00 H new ATOM 1036 N LEU A 66 2.123 5.343 0.569 1.00 0.00 N ATOM 1037 CA LEU A 66 2.971 4.345 1.205 1.00 0.00 C ATOM 1038 C LEU A 66 2.914 4.475 2.725 1.00 0.00 C ATOM 1039 O LEU A 66 2.793 3.485 3.435 1.00 0.00 O ATOM 1040 CB LEU A 66 4.417 4.504 0.719 1.00 0.00 C ATOM 1041 CG LEU A 66 5.430 3.540 1.337 1.00 0.00 C ATOM 1042 CD1 LEU A 66 5.126 2.105 0.933 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.843 3.922 0.932 1.00 0.00 C ATOM 0 H LEU A 66 2.618 5.963 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 66 2.605 3.355 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.434 4.376 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.741 5.524 0.925 1.00 0.00 H new ATOM 0 HG LEU A 66 5.351 3.611 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.859 1.437 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.128 1.834 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.172 2.015 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.551 3.225 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.934 3.883 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.060 4.933 1.278 1.00 0.00 H new ATOM 1055 N ALA A 67 2.970 5.705 3.215 1.00 0.00 N ATOM 1056 CA ALA A 67 2.985 5.958 4.652 1.00 0.00 C ATOM 1057 C ALA A 67 1.612 5.713 5.280 1.00 0.00 C ATOM 1058 O ALA A 67 1.483 5.648 6.504 1.00 0.00 O ATOM 1059 CB ALA A 67 3.450 7.381 4.929 1.00 0.00 C ATOM 0 H ALA A 67 3.006 6.546 2.639 1.00 0.00 H new ATOM 0 HA ALA A 67 3.686 5.259 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.457 7.559 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.456 7.519 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.771 8.086 4.450 1.00 0.00 H new ATOM 1065 N LEU A 68 0.594 5.578 4.442 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.760 5.330 4.919 1.00 0.00 C ATOM 1067 C LEU A 68 -1.084 3.842 4.877 1.00 0.00 C ATOM 1068 O LEU A 68 -2.033 3.387 5.516 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.770 6.120 4.086 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.621 7.641 4.161 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.599 8.320 3.221 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.829 8.128 5.588 1.00 0.00 C ATOM 0 H LEU A 68 0.680 5.636 3.427 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.825 5.664 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.679 5.812 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.775 5.852 4.411 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.609 7.902 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.478 9.401 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.405 7.996 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.618 8.051 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.719 9.212 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.829 7.854 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.088 7.668 6.241 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.287 3.086 4.136 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.490 1.649 4.022 1.00 0.00 C ATOM 1086 C LEU A 69 0.694 0.902 4.609 1.00 0.00 C ATOM 1087 O LEU A 69 1.822 1.044 4.145 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.686 1.238 2.559 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.937 1.799 1.883 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.960 1.421 0.413 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.191 1.295 2.580 1.00 0.00 C ATOM 0 H LEU A 69 0.507 3.444 3.604 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.391 1.391 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.188 1.556 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.722 0.150 2.507 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.912 2.886 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.857 1.828 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.078 1.828 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.962 0.335 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.072 1.705 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.221 0.206 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.180 1.612 3.623 1.00 0.00 H new ATOM 1103 N THR A 70 0.446 0.106 5.631 1.00 0.00 N ATOM 1104 CA THR A 70 1.518 -0.635 6.265 1.00 0.00 C ATOM 1105 C THR A 70 1.895 -1.837 5.414 1.00 0.00 C ATOM 1106 O THR A 70 1.104 -2.763 5.233 1.00 0.00 O ATOM 1107 CB THR A 70 1.115 -1.091 7.667 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.535 0.015 8.371 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.321 -1.612 8.439 1.00 0.00 C ATOM 0 H THR A 70 -0.478 -0.043 6.036 1.00 0.00 H new ATOM 0 HA THR A 70 2.381 0.025 6.356 1.00 0.00 H new ATOM 0 HB THR A 70 0.391 -1.901 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.273 -0.271 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.007 -1.930 9.433 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.755 -2.459 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.065 -0.820 8.529 1.00 0.00 H new ATOM 1117 N LEU A 71 3.104 -1.801 4.897 1.00 0.00 N ATOM 1118 CA LEU A 71 3.589 -2.839 4.004 1.00 0.00 C ATOM 1119 C LEU A 71 4.801 -3.532 4.604 1.00 0.00 C ATOM 1120 O LEU A 71 5.766 -2.880 5.013 1.00 0.00 O ATOM 1121 CB LEU A 71 3.969 -2.245 2.644 1.00 0.00 C ATOM 1122 CG LEU A 71 2.815 -1.652 1.836 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.339 -0.977 0.578 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.817 -2.737 1.475 1.00 0.00 C ATOM 0 H LEU A 71 3.778 -1.057 5.080 1.00 0.00 H new ATOM 0 HA LEU A 71 2.788 -3.566 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.715 -1.466 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.444 -3.024 2.047 1.00 0.00 H new ATOM 0 HG LEU A 71 2.312 -0.902 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.504 -0.560 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.026 -0.177 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.862 -1.709 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.000 -2.303 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.313 -3.504 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.421 -3.185 2.386 1.00 0.00 H new ATOM 1136 N VAL A 72 4.742 -4.848 4.670 1.00 0.00 N ATOM 1137 CA VAL A 72 5.877 -5.643 5.115 1.00 0.00 C ATOM 1138 C VAL A 72 6.143 -6.753 4.112 1.00 0.00 C ATOM 1139 O VAL A 72 5.219 -7.221 3.452 1.00 0.00 O ATOM 1140 CB VAL A 72 5.646 -6.256 6.514 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.534 -5.167 7.571 1.00 0.00 C ATOM 1142 CG2 VAL A 72 4.413 -7.147 6.527 1.00 0.00 C ATOM 0 H VAL A 72 3.917 -5.394 4.420 1.00 0.00 H new ATOM 0 HA VAL A 72 6.739 -4.979 5.184 1.00 0.00 H new ATOM 0 HB VAL A 72 6.510 -6.876 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.372 -5.623 8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.455 -4.584 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.695 -4.513 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.276 -7.564 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.536 -6.559 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.542 -7.957 5.809 1.00 0.00 H new ATOM 1152 N PRO A 73 7.399 -7.177 3.953 1.00 0.00 N ATOM 1153 CA PRO A 73 7.728 -8.273 3.046 1.00 0.00 C ATOM 1154 C PRO A 73 7.131 -9.590 3.526 1.00 0.00 C ATOM 1155 O PRO A 73 6.740 -9.713 4.690 1.00 0.00 O ATOM 1156 CB PRO A 73 9.257 -8.328 3.085 1.00 0.00 C ATOM 1157 CG PRO A 73 9.635 -7.679 4.372 1.00 0.00 C ATOM 1158 CD PRO A 73 8.587 -6.639 4.637 1.00 0.00 C ATOM 0 HA PRO A 73 7.330 -8.117 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.616 -9.356 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.692 -7.802 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.673 -8.409 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.625 -7.227 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.412 -6.507 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.875 -5.666 4.239 1.00 0.00 H new ATOM 1166 N LEU A 74 7.068 -10.569 2.634 1.00 0.00 N ATOM 1167 CA LEU A 74 6.545 -11.879 2.983 1.00 0.00 C ATOM 1168 C LEU A 74 7.416 -12.512 4.055 1.00 0.00 C ATOM 1169 O LEU A 74 6.918 -13.114 5.008 1.00 0.00 O ATOM 1170 CB LEU A 74 6.497 -12.771 1.744 1.00 0.00 C ATOM 1171 CG LEU A 74 5.639 -12.237 0.593 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.706 -13.176 -0.604 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.194 -12.043 1.038 1.00 0.00 C ATOM 0 H LEU A 74 7.373 -10.479 1.665 1.00 0.00 H new ATOM 0 HA LEU A 74 5.533 -11.768 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.514 -12.917 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.118 -13.751 2.035 1.00 0.00 H new ATOM 0 HG LEU A 74 6.037 -11.267 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.090 -12.780 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.739 -13.261 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.337 -14.160 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.604 -11.663 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.784 -12.997 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.160 -11.329 1.861 1.00 0.00 H new ATOM 1185 N ASP A 75 8.720 -12.358 3.884 1.00 0.00 N ATOM 1186 CA ASP A 75 9.696 -12.820 4.856 1.00 0.00 C ATOM 1187 C ASP A 75 10.991 -12.038 4.686 1.00 0.00 C ATOM 1188 O ASP A 75 11.675 -12.240 3.662 1.00 0.00 O ATOM 1189 CB ASP A 75 9.960 -14.321 4.700 1.00 0.00 C ATOM 1190 CG ASP A 75 11.034 -14.819 5.644 1.00 0.00 C ATOM 1191 OD1 ASP A 75 10.843 -14.731 6.878 1.00 0.00 O ATOM 1192 OD2 ASP A 75 12.081 -15.298 5.163 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.306 -11.204 5.561 1.00 0.00 O ATOM 0 H ASP A 75 9.131 -11.908 3.066 1.00 0.00 H new ATOM 0 HA ASP A 75 9.298 -12.652 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.036 -14.871 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.258 -14.530 3.672 1.00 0.00 H new TER 1198 ASP A 75