USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 660 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 52 TYR OH : rot 180:sc= -0.0145 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 170:sc= -0.185 USER MOD Set 2.2: A 21 MET CE :methyl 137:sc= -1.34 (180deg=-1.69!) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 0.00691 (180deg=-0.087) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 14 THR OG1 : rot -30:sc= -3.48! USER MOD Single : A 15 ASN : amide:sc= -6.68! C(o=-6.7!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.621 K(o=-0.62,f=-2.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -39:sc= -1.89! USER MOD Single : A 29 THR OG1 : rot -150:sc= -1.04 USER MOD Single : A 34 GLN : amide:sc= 0.0799 X(o=0.08,f=0) USER MOD Single : A 36 SER OG : rot 150:sc= -0.501 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.18! C(o=-7.2!,f=-13!) USER MOD Single : A 49 CYS SG : rot 171:sc= -0.871 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.094) USER MOD Single : A 75 HIS : no HD1:sc= -0.59 K(o=-0.59,f=-1.9) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.912 10.889 -4.969 1.00 0.00 N ATOM 24 CA GLU A 7 9.651 10.385 -4.436 1.00 0.00 C ATOM 25 C GLU A 7 9.753 10.145 -2.932 1.00 0.00 C ATOM 26 O GLU A 7 10.774 10.449 -2.314 1.00 0.00 O ATOM 27 CB GLU A 7 9.251 9.092 -5.148 1.00 0.00 C ATOM 28 CG GLU A 7 10.411 8.140 -5.397 1.00 0.00 C ATOM 29 CD GLU A 7 10.329 7.463 -6.751 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.827 8.048 -7.737 1.00 0.00 O ATOM 31 OE2 GLU A 7 9.769 6.350 -6.827 1.00 0.00 O ATOM 0 HA GLU A 7 8.883 11.138 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.495 8.580 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.789 9.343 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.349 8.690 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.427 7.380 -4.615 1.00 0.00 H new ATOM 38 N LYS A 8 8.688 9.604 -2.344 1.00 0.00 N ATOM 39 CA LYS A 8 8.664 9.332 -0.915 1.00 0.00 C ATOM 40 C LYS A 8 8.999 7.873 -0.628 1.00 0.00 C ATOM 41 O LYS A 8 8.847 7.006 -1.488 1.00 0.00 O ATOM 42 CB LYS A 8 7.290 9.679 -0.333 1.00 0.00 C ATOM 43 CG LYS A 8 6.184 8.713 -0.732 1.00 0.00 C ATOM 44 CD LYS A 8 5.057 9.424 -1.465 1.00 0.00 C ATOM 45 CE LYS A 8 3.762 8.630 -1.395 1.00 0.00 C ATOM 46 NZ LYS A 8 2.613 9.392 -1.958 1.00 0.00 N ATOM 0 H LYS A 8 7.833 9.347 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 8 9.422 9.956 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.363 9.702 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.014 10.683 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.596 7.930 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.788 8.224 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.904 10.412 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.337 9.575 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.880 7.694 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.552 8.369 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.775 9.249 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.849 10.404 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.412 9.055 -2.921 1.00 0.00 H new ATOM 60 N LYS A 9 9.445 7.614 0.594 1.00 0.00 N ATOM 61 CA LYS A 9 9.795 6.262 1.015 1.00 0.00 C ATOM 62 C LYS A 9 8.849 5.795 2.112 1.00 0.00 C ATOM 63 O LYS A 9 8.590 6.522 3.072 1.00 0.00 O ATOM 64 CB LYS A 9 11.243 6.212 1.508 1.00 0.00 C ATOM 65 CG LYS A 9 11.648 4.856 2.069 1.00 0.00 C ATOM 66 CD LYS A 9 11.784 4.895 3.583 1.00 0.00 C ATOM 67 CE LYS A 9 13.239 5.003 4.012 1.00 0.00 C ATOM 68 NZ LYS A 9 13.747 3.724 4.583 1.00 0.00 N ATOM 0 H LYS A 9 9.574 8.325 1.314 1.00 0.00 H new ATOM 0 HA LYS A 9 9.699 5.595 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.908 6.468 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.383 6.971 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.905 4.109 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.594 4.546 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.224 5.743 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.344 3.995 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.850 5.286 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.341 5.797 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.742 3.840 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.181 3.467 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.674 2.972 3.869 1.00 0.00 H new ATOM 82 N ILE A 10 8.325 4.586 1.962 1.00 0.00 N ATOM 83 CA ILE A 10 7.396 4.035 2.939 1.00 0.00 C ATOM 84 C ILE A 10 7.769 2.602 3.306 1.00 0.00 C ATOM 85 O ILE A 10 8.540 1.952 2.600 1.00 0.00 O ATOM 86 CB ILE A 10 5.939 4.077 2.423 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.833 4.992 1.193 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.007 4.547 3.531 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.424 5.451 0.877 1.00 0.00 C ATOM 0 H ILE A 10 8.527 3.969 1.175 1.00 0.00 H new ATOM 0 HA ILE A 10 7.466 4.658 3.831 1.00 0.00 H new ATOM 0 HB ILE A 10 5.640 3.072 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.461 5.869 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.234 4.465 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.983 4.573 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.069 3.859 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.301 5.545 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.439 6.092 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.793 4.583 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.024 6.008 1.724 1.00 0.00 H new ATOM 101 N ARG A 11 7.225 2.119 4.418 1.00 0.00 N ATOM 102 CA ARG A 11 7.512 0.766 4.881 1.00 0.00 C ATOM 103 C ARG A 11 6.369 -0.186 4.548 1.00 0.00 C ATOM 104 O ARG A 11 5.228 0.236 4.365 1.00 0.00 O ATOM 105 CB ARG A 11 7.765 0.767 6.390 1.00 0.00 C ATOM 106 CG ARG A 11 8.121 -0.599 6.951 1.00 0.00 C ATOM 107 CD ARG A 11 8.314 -0.550 8.457 1.00 0.00 C ATOM 108 NE ARG A 11 9.217 0.530 8.856 1.00 0.00 N ATOM 109 CZ ARG A 11 8.910 1.477 9.742 1.00 0.00 C ATOM 110 NH1 ARG A 11 7.723 1.490 10.338 1.00 0.00 N ATOM 111 NH2 ARG A 11 9.797 2.417 10.036 1.00 0.00 N ATOM 0 H ARG A 11 6.584 2.643 5.014 1.00 0.00 H new ATOM 0 HA ARG A 11 8.407 0.418 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.573 1.463 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.875 1.138 6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.332 -1.310 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.034 -0.961 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.348 -0.414 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.713 -1.503 8.803 1.00 0.00 H new ATOM 0 HE ARG A 11 10.142 0.560 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.035 0.770 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.500 2.220 11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.712 2.414 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.565 3.143 10.714 1.00 0.00 H new ATOM 125 N ILE A 12 6.687 -1.476 4.471 1.00 0.00 N ATOM 126 CA ILE A 12 5.692 -2.495 4.163 1.00 0.00 C ATOM 127 C ILE A 12 5.861 -3.716 5.059 1.00 0.00 C ATOM 128 O ILE A 12 6.977 -4.064 5.445 1.00 0.00 O ATOM 129 CB ILE A 12 5.784 -2.958 2.695 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.659 -1.771 1.737 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.710 -3.995 2.407 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.378 -1.983 0.421 1.00 0.00 C ATOM 0 H ILE A 12 7.629 -1.839 4.618 1.00 0.00 H new ATOM 0 HA ILE A 12 4.719 -2.036 4.337 1.00 0.00 H new ATOM 0 HB ILE A 12 6.762 -3.412 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.604 -1.582 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.057 -0.879 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.783 -4.316 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.849 -4.855 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.727 -3.559 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.249 -1.104 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.440 -2.142 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.964 -2.856 -0.084 1.00 0.00 H new ATOM 144 N THR A 13 4.749 -4.371 5.378 1.00 0.00 N ATOM 145 CA THR A 13 4.785 -5.563 6.218 1.00 0.00 C ATOM 146 C THR A 13 3.630 -6.502 5.893 1.00 0.00 C ATOM 147 O THR A 13 2.465 -6.133 6.023 1.00 0.00 O ATOM 148 CB THR A 13 4.744 -5.180 7.692 1.00 0.00 C ATOM 149 OG1 THR A 13 5.321 -3.903 7.898 1.00 0.00 O ATOM 150 CG2 THR A 13 5.479 -6.165 8.567 1.00 0.00 C ATOM 0 H THR A 13 3.816 -4.098 5.069 1.00 0.00 H new ATOM 0 HA THR A 13 5.719 -6.085 6.012 1.00 0.00 H new ATOM 0 HB THR A 13 3.690 -5.177 7.969 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.283 -3.677 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.418 -5.844 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.026 -7.151 8.465 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.525 -6.213 8.263 1.00 0.00 H new ATOM 158 N THR A 14 3.959 -7.721 5.474 1.00 0.00 N ATOM 159 CA THR A 14 2.938 -8.703 5.133 1.00 0.00 C ATOM 160 C THR A 14 2.571 -9.566 6.330 1.00 0.00 C ATOM 161 O THR A 14 3.433 -9.947 7.132 1.00 0.00 O ATOM 162 CB THR A 14 3.393 -9.596 3.979 1.00 0.00 C ATOM 163 OG1 THR A 14 4.049 -10.759 4.457 1.00 0.00 O ATOM 164 CG2 THR A 14 4.328 -8.897 3.022 1.00 0.00 C ATOM 0 H THR A 14 4.918 -8.049 5.363 1.00 0.00 H new ATOM 0 HA THR A 14 2.054 -8.145 4.822 1.00 0.00 H new ATOM 0 HB THR A 14 2.480 -9.861 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.494 -10.558 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.614 -9.584 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.826 -8.031 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.219 -8.571 3.558 1.00 0.00 H new ATOM 172 N ASN A 15 1.280 -9.870 6.423 1.00 0.00 N ATOM 173 CA ASN A 15 0.739 -10.691 7.501 1.00 0.00 C ATOM 174 C ASN A 15 1.548 -11.967 7.698 1.00 0.00 C ATOM 175 O ASN A 15 1.601 -12.512 8.801 1.00 0.00 O ATOM 176 CB ASN A 15 -0.719 -11.047 7.206 1.00 0.00 C ATOM 177 CG ASN A 15 -0.906 -11.614 5.811 1.00 0.00 C ATOM 178 OD1 ASN A 15 0.019 -11.610 4.998 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.105 -12.106 5.527 1.00 0.00 N ATOM 0 H ASN A 15 0.579 -9.554 5.753 1.00 0.00 H new ATOM 0 HA ASN A 15 0.798 -10.109 8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.068 -11.773 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.337 -10.157 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.289 -12.501 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.843 -12.089 6.231 1.00 0.00 H new ATOM 186 N ASP A 16 2.181 -12.443 6.630 1.00 0.00 N ATOM 187 CA ASP A 16 2.983 -13.656 6.712 1.00 0.00 C ATOM 188 C ASP A 16 4.082 -13.498 7.757 1.00 0.00 C ATOM 189 O ASP A 16 4.580 -14.482 8.306 1.00 0.00 O ATOM 190 CB ASP A 16 3.588 -13.994 5.347 1.00 0.00 C ATOM 191 CG ASP A 16 3.003 -15.263 4.759 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.840 -15.226 4.308 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.710 -16.293 4.749 1.00 0.00 O ATOM 0 H ASP A 16 2.154 -12.011 5.706 1.00 0.00 H new ATOM 0 HA ASP A 16 2.334 -14.478 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.417 -13.165 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.667 -14.106 5.448 1.00 0.00 H new ATOM 198 N GLY A 17 4.450 -12.251 8.032 1.00 0.00 N ATOM 199 CA GLY A 17 5.480 -11.980 9.014 1.00 0.00 C ATOM 200 C GLY A 17 6.732 -11.403 8.393 1.00 0.00 C ATOM 201 O GLY A 17 7.832 -11.595 8.910 1.00 0.00 O ATOM 0 H GLY A 17 4.051 -11.422 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.094 -11.284 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.730 -12.902 9.538 1.00 0.00 H new ATOM 205 N ARG A 18 6.571 -10.695 7.279 1.00 0.00 N ATOM 206 CA ARG A 18 7.715 -10.097 6.597 1.00 0.00 C ATOM 207 C ARG A 18 7.464 -8.623 6.292 1.00 0.00 C ATOM 208 O ARG A 18 6.320 -8.174 6.272 1.00 0.00 O ATOM 209 CB ARG A 18 8.032 -10.875 5.315 1.00 0.00 C ATOM 210 CG ARG A 18 7.222 -10.445 4.104 1.00 0.00 C ATOM 211 CD ARG A 18 7.473 -11.365 2.923 1.00 0.00 C ATOM 212 NE ARG A 18 6.964 -12.713 3.159 1.00 0.00 N ATOM 213 CZ ARG A 18 5.714 -13.090 2.901 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.822 -12.210 2.466 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.351 -14.350 3.095 1.00 0.00 N ATOM 0 H ARG A 18 5.670 -10.522 6.833 1.00 0.00 H new ATOM 0 HA ARG A 18 8.578 -10.154 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.092 -10.760 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.858 -11.936 5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.161 -10.449 4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.482 -9.422 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.999 -10.950 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.543 -11.412 2.722 1.00 0.00 H new ATOM 0 HE ARG A 18 7.604 -13.407 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.092 -11.236 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.866 -12.507 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.029 -15.029 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.393 -14.641 2.898 1.00 0.00 H new ATOM 229 N GLN A 19 8.539 -7.871 6.062 1.00 0.00 N ATOM 230 CA GLN A 19 8.421 -6.446 5.767 1.00 0.00 C ATOM 231 C GLN A 19 9.463 -5.996 4.748 1.00 0.00 C ATOM 232 O GLN A 19 10.467 -6.673 4.524 1.00 0.00 O ATOM 233 CB GLN A 19 8.558 -5.616 7.048 1.00 0.00 C ATOM 234 CG GLN A 19 9.428 -6.264 8.115 1.00 0.00 C ATOM 235 CD GLN A 19 10.883 -6.364 7.700 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.360 -5.585 6.875 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.597 -7.327 8.273 1.00 0.00 N ATOM 0 H GLN A 19 9.496 -8.223 6.074 1.00 0.00 H new ATOM 0 HA GLN A 19 7.432 -6.284 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.977 -4.642 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.565 -5.438 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.356 -5.687 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.047 -7.262 8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.160 -7.950 8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.582 -7.443 8.034 1.00 0.00 H new ATOM 246 N SER A 20 9.210 -4.842 4.137 1.00 0.00 N ATOM 247 CA SER A 20 10.114 -4.280 3.140 1.00 0.00 C ATOM 248 C SER A 20 9.798 -2.807 2.899 1.00 0.00 C ATOM 249 O SER A 20 8.657 -2.374 3.061 1.00 0.00 O ATOM 250 CB SER A 20 10.010 -5.060 1.828 1.00 0.00 C ATOM 251 OG SER A 20 11.291 -5.278 1.260 1.00 0.00 O ATOM 0 H SER A 20 8.381 -4.275 4.317 1.00 0.00 H new ATOM 0 HA SER A 20 11.133 -4.360 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.521 -6.017 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.385 -4.511 1.124 1.00 0.00 H new ATOM 0 HG SER A 20 11.215 -5.911 0.515 1.00 0.00 H new ATOM 257 N MET A 21 10.811 -2.041 2.510 1.00 0.00 N ATOM 258 CA MET A 21 10.635 -0.617 2.246 1.00 0.00 C ATOM 259 C MET A 21 10.585 -0.344 0.751 1.00 0.00 C ATOM 260 O MET A 21 11.115 -1.110 -0.052 1.00 0.00 O ATOM 261 CB MET A 21 11.756 0.198 2.905 1.00 0.00 C ATOM 262 CG MET A 21 13.089 0.143 2.170 1.00 0.00 C ATOM 263 SD MET A 21 14.065 -1.312 2.596 1.00 0.00 S ATOM 264 CE MET A 21 13.832 -2.315 1.130 1.00 0.00 C ATOM 0 H MET A 21 11.762 -2.382 2.370 1.00 0.00 H new ATOM 0 HA MET A 21 9.684 -0.308 2.679 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.438 1.238 2.978 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.901 -0.163 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.906 0.150 1.095 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.663 1.040 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.783 -2.761 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.110 -3.104 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.461 -1.691 0.317 1.00 0.00 H new ATOM 274 N VAL A 22 9.935 0.750 0.386 1.00 0.00 N ATOM 275 CA VAL A 22 9.802 1.122 -1.010 1.00 0.00 C ATOM 276 C VAL A 22 9.972 2.623 -1.204 1.00 0.00 C ATOM 277 O VAL A 22 10.045 3.383 -0.239 1.00 0.00 O ATOM 278 CB VAL A 22 8.432 0.701 -1.563 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.387 -0.798 -1.806 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.323 1.131 -0.619 1.00 0.00 C ATOM 0 H VAL A 22 9.491 1.395 1.040 1.00 0.00 H new ATOM 0 HA VAL A 22 10.590 0.601 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 22 8.279 1.201 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.408 -1.074 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.157 -1.073 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.564 -1.324 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.359 0.825 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.471 0.662 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.341 2.215 -0.506 1.00 0.00 H new ATOM 290 N THR A 23 10.028 3.039 -2.463 1.00 0.00 N ATOM 291 CA THR A 23 10.186 4.447 -2.800 1.00 0.00 C ATOM 292 C THR A 23 8.938 4.970 -3.509 1.00 0.00 C ATOM 293 O THR A 23 9.029 5.645 -4.534 1.00 0.00 O ATOM 294 CB THR A 23 11.419 4.636 -3.686 1.00 0.00 C ATOM 295 OG1 THR A 23 11.796 6.000 -3.739 1.00 0.00 O ATOM 296 CG2 THR A 23 11.212 4.156 -5.106 1.00 0.00 C ATOM 0 H THR A 23 9.966 2.418 -3.270 1.00 0.00 H new ATOM 0 HA THR A 23 10.322 5.015 -1.880 1.00 0.00 H new ATOM 0 HB THR A 23 12.201 4.032 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.587 6.099 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.123 4.318 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.972 3.093 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.392 4.711 -5.562 1.00 0.00 H new ATOM 304 N LEU A 24 7.774 4.640 -2.954 1.00 0.00 N ATOM 305 CA LEU A 24 6.491 5.058 -3.521 1.00 0.00 C ATOM 306 C LEU A 24 6.549 6.485 -4.062 1.00 0.00 C ATOM 307 O LEU A 24 7.047 7.392 -3.399 1.00 0.00 O ATOM 308 CB LEU A 24 5.389 4.945 -2.466 1.00 0.00 C ATOM 309 CG LEU A 24 4.081 4.327 -2.959 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.318 2.921 -3.484 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.045 4.315 -1.843 1.00 0.00 C ATOM 0 H LEU A 24 7.692 4.080 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 24 6.267 4.394 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.764 4.349 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.178 5.940 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 24 3.699 4.937 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.375 2.498 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.026 2.956 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.724 2.298 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.119 3.872 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.420 3.728 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.853 5.336 -1.514 1.00 0.00 H new ATOM 323 N LYS A 25 6.037 6.671 -5.273 1.00 0.00 N ATOM 324 CA LYS A 25 6.030 7.983 -5.908 1.00 0.00 C ATOM 325 C LYS A 25 4.991 8.897 -5.261 1.00 0.00 C ATOM 326 O LYS A 25 3.926 8.443 -4.843 1.00 0.00 O ATOM 327 CB LYS A 25 5.753 7.841 -7.407 1.00 0.00 C ATOM 328 CG LYS A 25 6.922 8.262 -8.283 1.00 0.00 C ATOM 329 CD LYS A 25 7.064 9.776 -8.339 1.00 0.00 C ATOM 330 CE LYS A 25 5.795 10.440 -8.852 1.00 0.00 C ATOM 331 NZ LYS A 25 6.065 11.335 -10.010 1.00 0.00 N ATOM 0 H LYS A 25 5.621 5.929 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 25 7.012 8.435 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.501 6.803 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.881 8.442 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.843 7.824 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.781 7.872 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.298 10.157 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.900 10.040 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.078 9.674 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.336 11.015 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.175 11.768 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.730 12.082 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.479 10.782 -10.787 1.00 0.00 H new ATOM 345 N SER A 26 5.312 10.185 -5.179 1.00 0.00 N ATOM 346 CA SER A 26 4.410 11.167 -4.579 1.00 0.00 C ATOM 347 C SER A 26 3.030 11.116 -5.228 1.00 0.00 C ATOM 348 O SER A 26 2.017 11.371 -4.577 1.00 0.00 O ATOM 349 CB SER A 26 4.996 12.573 -4.710 1.00 0.00 C ATOM 350 OG SER A 26 4.053 13.558 -4.324 1.00 0.00 O ATOM 0 H SER A 26 6.191 10.575 -5.520 1.00 0.00 H new ATOM 0 HA SER A 26 4.300 10.921 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.889 12.657 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.306 12.746 -5.740 1.00 0.00 H new ATOM 0 HG SER A 26 4.453 14.448 -4.416 1.00 0.00 H new ATOM 356 N SER A 27 3.000 10.782 -6.514 1.00 0.00 N ATOM 357 CA SER A 27 1.746 10.692 -7.252 1.00 0.00 C ATOM 358 C SER A 27 1.379 9.235 -7.508 1.00 0.00 C ATOM 359 O SER A 27 0.798 8.900 -8.539 1.00 0.00 O ATOM 360 CB SER A 27 1.856 11.443 -8.580 1.00 0.00 C ATOM 361 OG SER A 27 2.413 12.733 -8.392 1.00 0.00 O ATOM 0 H SER A 27 3.830 10.569 -7.067 1.00 0.00 H new ATOM 0 HA SER A 27 0.961 11.150 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.475 10.874 -9.273 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.869 11.532 -9.034 1.00 0.00 H new ATOM 0 HG SER A 27 2.474 13.192 -9.256 1.00 0.00 H new ATOM 367 N THR A 28 1.730 8.373 -6.559 1.00 0.00 N ATOM 368 CA THR A 28 1.446 6.949 -6.675 1.00 0.00 C ATOM 369 C THR A 28 0.053 6.623 -6.148 1.00 0.00 C ATOM 370 O THR A 28 -0.167 6.583 -4.939 1.00 0.00 O ATOM 371 CB THR A 28 2.499 6.139 -5.908 1.00 0.00 C ATOM 372 OG1 THR A 28 3.731 6.136 -6.604 1.00 0.00 O ATOM 373 CG2 THR A 28 2.103 4.697 -5.673 1.00 0.00 C ATOM 0 H THR A 28 2.212 8.637 -5.700 1.00 0.00 H new ATOM 0 HA THR A 28 1.483 6.680 -7.731 1.00 0.00 H new ATOM 0 HB THR A 28 2.588 6.633 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.563 6.055 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.895 4.187 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.181 4.663 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.947 4.202 -6.631 1.00 0.00 H new ATOM 381 N THR A 29 -0.878 6.376 -7.060 1.00 0.00 N ATOM 382 CA THR A 29 -2.240 6.039 -6.676 1.00 0.00 C ATOM 383 C THR A 29 -2.319 4.581 -6.236 1.00 0.00 C ATOM 384 O THR A 29 -1.346 3.836 -6.350 1.00 0.00 O ATOM 385 CB THR A 29 -3.205 6.297 -7.838 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.496 5.793 -7.541 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.753 5.675 -9.141 1.00 0.00 C ATOM 0 H THR A 29 -0.715 6.403 -8.067 1.00 0.00 H new ATOM 0 HA THR A 29 -2.531 6.673 -5.839 1.00 0.00 H new ATOM 0 HB THR A 29 -3.225 7.380 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.941 5.524 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.481 5.896 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.783 6.085 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.668 4.595 -9.019 1.00 0.00 H new ATOM 395 N PHE A 30 -3.479 4.180 -5.728 1.00 0.00 N ATOM 396 CA PHE A 30 -3.687 2.810 -5.262 1.00 0.00 C ATOM 397 C PHE A 30 -3.131 1.791 -6.254 1.00 0.00 C ATOM 398 O PHE A 30 -2.519 0.799 -5.860 1.00 0.00 O ATOM 399 CB PHE A 30 -5.177 2.555 -5.035 1.00 0.00 C ATOM 400 CG PHE A 30 -5.481 1.183 -4.504 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.164 0.845 -3.199 1.00 0.00 C ATOM 402 CD2 PHE A 30 -6.086 0.233 -5.311 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.446 -0.416 -2.708 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.369 -1.029 -4.826 1.00 0.00 C ATOM 405 CZ PHE A 30 -6.049 -1.354 -3.523 1.00 0.00 C ATOM 0 H PHE A 30 -4.294 4.785 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.150 2.692 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.562 3.299 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.708 2.697 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.691 1.574 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.339 0.482 -6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.195 -0.668 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.840 -1.761 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.270 -2.340 -3.142 1.00 0.00 H new ATOM 415 N PHE A 31 -3.347 2.042 -7.539 1.00 0.00 N ATOM 416 CA PHE A 31 -2.864 1.143 -8.582 1.00 0.00 C ATOM 417 C PHE A 31 -1.340 1.100 -8.598 1.00 0.00 C ATOM 418 O PHE A 31 -0.740 0.024 -8.590 1.00 0.00 O ATOM 419 CB PHE A 31 -3.385 1.589 -9.949 1.00 0.00 C ATOM 420 CG PHE A 31 -4.845 1.944 -9.951 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.791 1.042 -9.492 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.269 3.180 -10.411 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.135 1.366 -9.494 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.611 3.511 -10.414 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.545 2.602 -9.955 1.00 0.00 C ATOM 0 H PHE A 31 -3.852 2.858 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.237 0.142 -8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.810 2.452 -10.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.213 0.791 -10.672 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.475 0.075 -9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.543 3.893 -10.771 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.863 0.654 -9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.929 4.478 -10.774 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.594 2.858 -9.957 1.00 0.00 H new ATOM 435 N GLU A 32 -0.720 2.275 -8.621 1.00 0.00 N ATOM 436 CA GLU A 32 0.735 2.373 -8.639 1.00 0.00 C ATOM 437 C GLU A 32 1.342 1.709 -7.408 1.00 0.00 C ATOM 438 O GLU A 32 2.434 1.144 -7.470 1.00 0.00 O ATOM 439 CB GLU A 32 1.166 3.839 -8.710 1.00 0.00 C ATOM 440 CG GLU A 32 1.208 4.393 -10.125 1.00 0.00 C ATOM 441 CD GLU A 32 2.439 5.241 -10.383 1.00 0.00 C ATOM 442 OE1 GLU A 32 2.807 6.038 -9.494 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.033 5.108 -11.472 1.00 0.00 O ATOM 0 H GLU A 32 -1.203 3.173 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 32 1.099 1.851 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.480 4.440 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.153 3.941 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.185 3.567 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.315 4.992 -10.303 1.00 0.00 H new ATOM 450 N LEU A 33 0.629 1.781 -6.288 1.00 0.00 N ATOM 451 CA LEU A 33 1.100 1.185 -5.043 1.00 0.00 C ATOM 452 C LEU A 33 1.055 -0.338 -5.120 1.00 0.00 C ATOM 453 O LEU A 33 2.000 -1.017 -4.719 1.00 0.00 O ATOM 454 CB LEU A 33 0.255 1.677 -3.864 1.00 0.00 C ATOM 455 CG LEU A 33 0.497 0.950 -2.538 1.00 0.00 C ATOM 456 CD1 LEU A 33 1.981 0.924 -2.205 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.291 1.609 -1.417 1.00 0.00 C ATOM 0 H LEU A 33 -0.276 2.246 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 33 2.134 1.492 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.449 2.740 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.798 1.578 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 33 0.151 -0.079 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.133 0.403 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.522 0.405 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.353 1.945 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.107 1.079 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.023 2.648 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.355 1.573 -1.651 1.00 0.00 H new ATOM 469 N GLN A 34 -0.048 -0.867 -5.638 1.00 0.00 N ATOM 470 CA GLN A 34 -0.213 -2.312 -5.766 1.00 0.00 C ATOM 471 C GLN A 34 0.907 -2.920 -6.605 1.00 0.00 C ATOM 472 O GLN A 34 1.229 -4.100 -6.464 1.00 0.00 O ATOM 473 CB GLN A 34 -1.570 -2.637 -6.395 1.00 0.00 C ATOM 474 CG GLN A 34 -2.741 -2.447 -5.445 1.00 0.00 C ATOM 475 CD GLN A 34 -3.245 -3.756 -4.871 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.439 -4.052 -4.924 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.334 -4.548 -4.317 1.00 0.00 N ATOM 0 H GLN A 34 -0.840 -0.319 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.168 -2.746 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.716 -2.004 -7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.561 -3.669 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.439 -1.789 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.555 -1.949 -5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.355 -4.262 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.613 -5.442 -3.913 1.00 0.00 H new ATOM 486 N GLU A 35 1.497 -2.109 -7.478 1.00 0.00 N ATOM 487 CA GLU A 35 2.580 -2.571 -8.339 1.00 0.00 C ATOM 488 C GLU A 35 3.931 -2.465 -7.633 1.00 0.00 C ATOM 489 O GLU A 35 4.892 -3.134 -8.012 1.00 0.00 O ATOM 490 CB GLU A 35 2.606 -1.761 -9.637 1.00 0.00 C ATOM 491 CG GLU A 35 3.691 -2.199 -10.606 1.00 0.00 C ATOM 492 CD GLU A 35 3.166 -2.418 -12.013 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.058 -2.977 -12.153 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.862 -2.028 -12.974 1.00 0.00 O ATOM 0 H GLU A 35 1.243 -1.130 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 35 2.398 -3.620 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.636 -1.846 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.750 -0.708 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.478 -1.445 -10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.145 -3.122 -10.244 1.00 0.00 H new ATOM 501 N SER A 36 3.999 -1.621 -6.607 1.00 0.00 N ATOM 502 CA SER A 36 5.231 -1.430 -5.852 1.00 0.00 C ATOM 503 C SER A 36 5.492 -2.620 -4.936 1.00 0.00 C ATOM 504 O SER A 36 6.530 -3.274 -5.026 1.00 0.00 O ATOM 505 CB SER A 36 5.154 -0.138 -5.032 1.00 0.00 C ATOM 506 OG SER A 36 5.142 -0.402 -3.639 1.00 0.00 O ATOM 0 H SER A 36 3.214 -1.058 -6.280 1.00 0.00 H new ATOM 0 HA SER A 36 6.058 -1.352 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.005 0.498 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.255 0.414 -5.306 1.00 0.00 H new ATOM 0 HG SER A 36 5.561 0.344 -3.161 1.00 0.00 H new ATOM 512 N ILE A 37 4.539 -2.891 -4.052 1.00 0.00 N ATOM 513 CA ILE A 37 4.657 -3.999 -3.112 1.00 0.00 C ATOM 514 C ILE A 37 4.993 -5.300 -3.834 1.00 0.00 C ATOM 515 O ILE A 37 5.792 -6.101 -3.350 1.00 0.00 O ATOM 516 CB ILE A 37 3.356 -4.193 -2.308 1.00 0.00 C ATOM 517 CG1 ILE A 37 2.922 -2.872 -1.667 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.541 -5.269 -1.248 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.470 -2.528 -1.919 1.00 0.00 C ATOM 0 H ILE A 37 3.674 -2.357 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 37 5.466 -3.748 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 37 2.571 -4.517 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.093 -2.925 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.550 -2.068 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.613 -5.393 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.804 -6.211 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.338 -4.974 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.232 -1.580 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.297 -2.442 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.834 -3.313 -1.511 1.00 0.00 H new ATOM 531 N ALA A 38 4.378 -5.502 -4.994 1.00 0.00 N ATOM 532 CA ALA A 38 4.614 -6.704 -5.784 1.00 0.00 C ATOM 533 C ALA A 38 6.090 -6.849 -6.142 1.00 0.00 C ATOM 534 O ALA A 38 6.549 -7.938 -6.488 1.00 0.00 O ATOM 535 CB ALA A 38 3.764 -6.681 -7.044 1.00 0.00 C ATOM 0 H ALA A 38 3.713 -4.849 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 38 4.329 -7.566 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.950 -7.584 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.710 -6.636 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.022 -5.806 -7.641 1.00 0.00 H new ATOM 541 N ARG A 39 6.831 -5.747 -6.058 1.00 0.00 N ATOM 542 CA ARG A 39 8.255 -5.759 -6.373 1.00 0.00 C ATOM 543 C ARG A 39 9.080 -6.041 -5.123 1.00 0.00 C ATOM 544 O ARG A 39 10.002 -6.857 -5.143 1.00 0.00 O ATOM 545 CB ARG A 39 8.682 -4.422 -6.985 1.00 0.00 C ATOM 546 CG ARG A 39 7.613 -3.765 -7.843 1.00 0.00 C ATOM 547 CD ARG A 39 8.225 -2.856 -8.895 1.00 0.00 C ATOM 548 NE ARG A 39 7.509 -2.929 -10.167 1.00 0.00 N ATOM 549 CZ ARG A 39 7.596 -2.006 -11.121 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.365 -0.937 -10.952 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.911 -2.149 -12.247 1.00 0.00 N ATOM 0 H ARG A 39 6.469 -4.836 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 39 8.433 -6.553 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.960 -3.739 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.574 -4.580 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.012 -4.533 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.940 -3.188 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.218 -1.828 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.268 -3.132 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 39 6.907 -3.735 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.893 -0.820 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.428 -0.233 -11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.317 -2.967 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.978 -1.441 -12.978 1.00 0.00 H new ATOM 565 N GLU A 40 8.742 -5.353 -4.040 1.00 0.00 N ATOM 566 CA GLU A 40 9.450 -5.516 -2.776 1.00 0.00 C ATOM 567 C GLU A 40 9.172 -6.883 -2.156 1.00 0.00 C ATOM 568 O GLU A 40 9.992 -7.411 -1.405 1.00 0.00 O ATOM 569 CB GLU A 40 9.050 -4.408 -1.801 1.00 0.00 C ATOM 570 CG GLU A 40 10.202 -3.496 -1.412 1.00 0.00 C ATOM 571 CD GLU A 40 10.920 -2.916 -2.615 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.264 -2.717 -3.659 1.00 0.00 O ATOM 573 OE2 GLU A 40 12.139 -2.663 -2.513 1.00 0.00 O ATOM 0 H GLU A 40 7.980 -4.675 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 40 10.519 -5.448 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.258 -3.808 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.635 -4.860 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.823 -2.683 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.913 -4.055 -0.804 1.00 0.00 H new ATOM 580 N PHE A 41 8.010 -7.450 -2.466 1.00 0.00 N ATOM 581 CA PHE A 41 7.632 -8.751 -1.927 1.00 0.00 C ATOM 582 C PHE A 41 7.360 -9.755 -3.042 1.00 0.00 C ATOM 583 O PHE A 41 7.541 -9.453 -4.222 1.00 0.00 O ATOM 584 CB PHE A 41 6.403 -8.606 -1.031 1.00 0.00 C ATOM 585 CG PHE A 41 6.615 -7.650 0.107 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.770 -6.293 -0.130 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.668 -8.107 1.411 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.973 -5.412 0.916 1.00 0.00 C ATOM 589 CE2 PHE A 41 6.869 -7.232 2.461 1.00 0.00 C ATOM 590 CZ PHE A 41 7.022 -5.884 2.213 1.00 0.00 C ATOM 0 H PHE A 41 7.317 -7.030 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 41 8.465 -9.130 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.560 -8.265 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.134 -9.584 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.732 -5.920 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.551 -9.162 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.093 -4.357 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.906 -7.603 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.180 -5.198 3.032 1.00 0.00 H new ATOM 600 N ASN A 42 6.936 -10.956 -2.660 1.00 0.00 N ATOM 601 CA ASN A 42 6.652 -12.011 -3.627 1.00 0.00 C ATOM 602 C ASN A 42 5.151 -12.256 -3.763 1.00 0.00 C ATOM 603 O ASN A 42 4.707 -13.399 -3.862 1.00 0.00 O ATOM 604 CB ASN A 42 7.356 -13.306 -3.218 1.00 0.00 C ATOM 605 CG ASN A 42 8.795 -13.355 -3.688 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.147 -14.137 -4.571 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.640 -12.514 -3.099 1.00 0.00 N ATOM 0 H ASN A 42 6.782 -11.223 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 42 7.030 -11.684 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.328 -13.404 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.813 -14.157 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.622 -12.501 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.306 -11.882 -2.371 1.00 0.00 H new ATOM 614 N ILE A 43 4.375 -11.178 -3.782 1.00 0.00 N ATOM 615 CA ILE A 43 2.930 -11.283 -3.919 1.00 0.00 C ATOM 616 C ILE A 43 2.425 -10.372 -5.035 1.00 0.00 C ATOM 617 O ILE A 43 2.836 -9.217 -5.139 1.00 0.00 O ATOM 618 CB ILE A 43 2.204 -10.929 -2.607 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.790 -11.729 -1.443 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.711 -11.195 -2.738 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.716 -10.920 -0.565 1.00 0.00 C ATOM 0 H ILE A 43 4.724 -10.223 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 43 2.709 -12.321 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 43 2.349 -9.868 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.975 -12.121 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.334 -12.587 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.213 -10.940 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.302 -10.586 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.547 -12.249 -2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.096 -11.549 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.551 -10.550 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.171 -10.077 -0.141 1.00 0.00 H new ATOM 633 N PRO A 44 1.526 -10.885 -5.890 1.00 0.00 N ATOM 634 CA PRO A 44 0.968 -10.116 -7.006 1.00 0.00 C ATOM 635 C PRO A 44 0.013 -9.021 -6.537 1.00 0.00 C ATOM 636 O PRO A 44 -0.393 -8.996 -5.375 1.00 0.00 O ATOM 637 CB PRO A 44 0.220 -11.169 -7.824 1.00 0.00 C ATOM 638 CG PRO A 44 -0.124 -12.240 -6.848 1.00 0.00 C ATOM 639 CD PRO A 44 0.988 -12.254 -5.834 1.00 0.00 C ATOM 0 HA PRO A 44 1.742 -9.593 -7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.676 -10.750 -8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.841 -11.556 -8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.083 -12.039 -6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.211 -13.206 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.619 -12.499 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.748 -12.994 -6.083 1.00 0.00 H new ATOM 647 N PRO A 45 -0.356 -8.096 -7.438 1.00 0.00 N ATOM 648 CA PRO A 45 -1.263 -6.989 -7.111 1.00 0.00 C ATOM 649 C PRO A 45 -2.666 -7.468 -6.749 1.00 0.00 C ATOM 650 O PRO A 45 -3.397 -6.782 -6.036 1.00 0.00 O ATOM 651 CB PRO A 45 -1.300 -6.157 -8.398 1.00 0.00 C ATOM 652 CG PRO A 45 -0.889 -7.098 -9.478 1.00 0.00 C ATOM 653 CD PRO A 45 0.086 -8.051 -8.844 1.00 0.00 C ATOM 0 HA PRO A 45 -0.919 -6.434 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.298 -5.758 -8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.622 -5.306 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.750 -7.631 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.428 -6.563 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.048 -9.036 -9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.113 -7.696 -8.933 1.00 0.00 H new ATOM 661 N TYR A 46 -3.040 -8.644 -7.245 1.00 0.00 N ATOM 662 CA TYR A 46 -4.360 -9.199 -6.967 1.00 0.00 C ATOM 663 C TYR A 46 -4.351 -10.071 -5.710 1.00 0.00 C ATOM 664 O TYR A 46 -5.341 -10.735 -5.403 1.00 0.00 O ATOM 665 CB TYR A 46 -4.863 -10.007 -8.165 1.00 0.00 C ATOM 666 CG TYR A 46 -4.067 -11.265 -8.433 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.895 -11.223 -9.175 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.493 -12.494 -7.944 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.167 -12.372 -9.423 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.771 -13.647 -8.188 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.609 -13.581 -8.928 1.00 0.00 C ATOM 672 OH TYR A 46 -1.888 -14.726 -9.174 1.00 0.00 O ATOM 0 H TYR A 46 -2.451 -9.228 -7.838 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.038 -8.364 -6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.905 -10.277 -7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.837 -9.376 -9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.546 -10.278 -9.565 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.403 -12.549 -7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.256 -12.323 -10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.115 -14.595 -7.801 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.335 -15.491 -8.755 1.00 0.00 H new ATOM 682 N LEU A 47 -3.236 -10.064 -4.983 1.00 0.00 N ATOM 683 CA LEU A 47 -3.118 -10.854 -3.761 1.00 0.00 C ATOM 684 C LEU A 47 -2.500 -10.041 -2.625 1.00 0.00 C ATOM 685 O LEU A 47 -2.224 -10.576 -1.552 1.00 0.00 O ATOM 686 CB LEU A 47 -2.275 -12.106 -4.012 1.00 0.00 C ATOM 687 CG LEU A 47 -2.915 -13.147 -4.931 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.972 -14.321 -5.146 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.239 -13.623 -4.352 1.00 0.00 C ATOM 0 H LEU A 47 -2.405 -9.522 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.125 -11.148 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.321 -11.802 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.057 -12.576 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.109 -12.682 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.444 -15.052 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.048 -13.967 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.747 -14.787 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.682 -14.364 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.068 -14.071 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.917 -12.776 -4.250 1.00 0.00 H new ATOM 701 N GLN A 48 -2.280 -8.748 -2.860 1.00 0.00 N ATOM 702 CA GLN A 48 -1.692 -7.882 -1.846 1.00 0.00 C ATOM 703 C GLN A 48 -2.720 -6.902 -1.296 1.00 0.00 C ATOM 704 O GLN A 48 -3.163 -5.992 -1.997 1.00 0.00 O ATOM 705 CB GLN A 48 -0.504 -7.114 -2.427 1.00 0.00 C ATOM 706 CG GLN A 48 0.707 -7.988 -2.711 1.00 0.00 C ATOM 707 CD GLN A 48 1.803 -7.245 -3.450 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.963 -7.254 -3.038 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.441 -6.597 -4.551 1.00 0.00 N ATOM 0 H GLN A 48 -2.500 -8.281 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.347 -8.514 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.814 -6.627 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.217 -6.325 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.103 -8.370 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.397 -8.851 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.468 -6.616 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.136 -6.081 -5.091 1.00 0.00 H new ATOM 718 N CYS A 49 -3.085 -7.084 -0.032 1.00 0.00 N ATOM 719 CA CYS A 49 -4.049 -6.207 0.617 1.00 0.00 C ATOM 720 C CYS A 49 -3.334 -5.267 1.584 1.00 0.00 C ATOM 721 O CYS A 49 -2.962 -5.664 2.689 1.00 0.00 O ATOM 722 CB CYS A 49 -5.108 -7.030 1.355 1.00 0.00 C ATOM 723 SG CYS A 49 -6.291 -6.045 2.304 1.00 0.00 S ATOM 0 H CYS A 49 -2.727 -7.831 0.563 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.549 -5.610 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.655 -7.632 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.607 -7.723 2.030 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.251 -6.811 2.729 1.00 0.00 H new ATOM 729 N ILE A 50 -3.132 -4.027 1.147 1.00 0.00 N ATOM 730 CA ILE A 50 -2.445 -3.024 1.957 1.00 0.00 C ATOM 731 C ILE A 50 -3.347 -2.459 3.049 1.00 0.00 C ATOM 732 O ILE A 50 -4.570 -2.418 2.905 1.00 0.00 O ATOM 733 CB ILE A 50 -1.936 -1.861 1.083 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.125 -2.395 -0.101 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.099 -0.897 1.914 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.528 -1.792 -1.428 1.00 0.00 C ATOM 0 H ILE A 50 -3.435 -3.691 0.233 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.601 -3.530 2.425 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.798 -1.320 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.068 -2.196 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.241 -3.478 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.748 -0.082 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.707 -0.492 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.243 -1.426 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.913 -2.215 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.577 -2.013 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.385 -0.712 -1.395 1.00 0.00 H new ATOM 748 N ARG A 51 -2.727 -2.018 4.139 1.00 0.00 N ATOM 749 CA ARG A 51 -3.455 -1.443 5.263 1.00 0.00 C ATOM 750 C ARG A 51 -2.658 -0.306 5.894 1.00 0.00 C ATOM 751 O ARG A 51 -1.429 -0.345 5.932 1.00 0.00 O ATOM 752 CB ARG A 51 -3.749 -2.517 6.308 1.00 0.00 C ATOM 753 CG ARG A 51 -4.317 -3.793 5.714 1.00 0.00 C ATOM 754 CD ARG A 51 -4.928 -4.677 6.786 1.00 0.00 C ATOM 755 NE ARG A 51 -3.959 -5.624 7.333 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.106 -6.240 8.504 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.180 -6.017 9.251 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.174 -7.084 8.928 1.00 0.00 N ATOM 0 H ARG A 51 -1.716 -2.049 4.267 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.398 -1.042 4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.830 -2.752 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.453 -2.120 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.074 -3.545 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.528 -4.338 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.319 -4.054 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.773 -5.224 6.367 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.122 -5.825 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.900 -5.370 8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.286 -6.493 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.347 -7.260 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.284 -7.557 9.825 1.00 0.00 H new ATOM 772 N TYR A 52 -3.364 0.708 6.383 1.00 0.00 N ATOM 773 CA TYR A 52 -2.715 1.856 7.005 1.00 0.00 C ATOM 774 C TYR A 52 -3.580 2.445 8.116 1.00 0.00 C ATOM 775 O TYR A 52 -4.767 2.137 8.223 1.00 0.00 O ATOM 776 CB TYR A 52 -2.419 2.929 5.955 1.00 0.00 C ATOM 777 CG TYR A 52 -3.661 3.541 5.346 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.503 2.790 4.535 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.992 4.869 5.582 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.638 3.345 3.976 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.126 5.432 5.028 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.946 4.666 4.226 1.00 0.00 C ATOM 783 OH TYR A 52 -7.076 5.223 3.672 1.00 0.00 O ATOM 0 H TYR A 52 -4.383 0.758 6.361 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.779 1.513 7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.822 3.718 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.813 2.491 5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.266 1.755 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.352 5.472 6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.281 2.748 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.369 6.466 5.222 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.147 6.161 3.948 1.00 0.00 H new ATOM 793 N GLY A 53 -2.976 3.299 8.937 1.00 0.00 N ATOM 794 CA GLY A 53 -3.701 3.926 10.026 1.00 0.00 C ATOM 795 C GLY A 53 -4.137 2.938 11.091 1.00 0.00 C ATOM 796 O GLY A 53 -4.088 1.726 10.882 1.00 0.00 O ATOM 0 H GLY A 53 -1.995 3.568 8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.072 4.690 10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.579 4.433 9.627 1.00 0.00 H new ATOM 800 N PHE A 54 -4.566 3.462 12.235 1.00 0.00 N ATOM 801 CA PHE A 54 -5.017 2.627 13.342 1.00 0.00 C ATOM 802 C PHE A 54 -6.455 2.981 13.732 1.00 0.00 C ATOM 803 O PHE A 54 -6.730 4.118 14.115 1.00 0.00 O ATOM 804 CB PHE A 54 -4.091 2.805 14.547 1.00 0.00 C ATOM 805 CG PHE A 54 -3.749 1.514 15.236 1.00 0.00 C ATOM 806 CD1 PHE A 54 -3.370 0.401 14.503 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.806 1.415 16.617 1.00 0.00 C ATOM 808 CE1 PHE A 54 -3.056 -0.787 15.135 1.00 0.00 C ATOM 809 CE2 PHE A 54 -3.492 0.229 17.254 1.00 0.00 C ATOM 810 CZ PHE A 54 -3.117 -0.873 16.511 1.00 0.00 C ATOM 0 H PHE A 54 -4.611 4.464 12.419 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.989 1.585 13.022 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.170 3.288 14.219 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.565 3.476 15.264 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.319 0.463 13.426 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.099 2.274 17.202 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.763 -1.648 14.552 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.540 0.164 18.331 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.872 -1.801 17.006 1.00 0.00 H new ATOM 820 N PRO A 55 -7.399 2.022 13.640 1.00 0.00 N ATOM 821 CA PRO A 55 -7.131 0.648 13.189 1.00 0.00 C ATOM 822 C PRO A 55 -6.697 0.589 11.725 1.00 0.00 C ATOM 823 O PRO A 55 -6.920 1.529 10.963 1.00 0.00 O ATOM 824 CB PRO A 55 -8.474 -0.073 13.373 1.00 0.00 C ATOM 825 CG PRO A 55 -9.277 0.813 14.266 1.00 0.00 C ATOM 826 CD PRO A 55 -8.817 2.210 13.977 1.00 0.00 C ATOM 0 HA PRO A 55 -6.313 0.197 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.974 -0.224 12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.334 -1.058 13.819 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.343 0.704 14.069 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.119 0.558 15.314 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.373 2.657 13.153 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.945 2.865 14.839 1.00 0.00 H new ATOM 834 N PRO A 56 -6.064 -0.525 11.315 1.00 0.00 N ATOM 835 CA PRO A 56 -5.595 -0.707 9.941 1.00 0.00 C ATOM 836 C PRO A 56 -6.740 -0.896 8.956 1.00 0.00 C ATOM 837 O PRO A 56 -7.587 -1.772 9.128 1.00 0.00 O ATOM 838 CB PRO A 56 -4.742 -1.975 10.019 1.00 0.00 C ATOM 839 CG PRO A 56 -5.296 -2.728 11.176 1.00 0.00 C ATOM 840 CD PRO A 56 -5.758 -1.690 12.161 1.00 0.00 C ATOM 0 HA PRO A 56 -5.052 0.166 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.809 -2.556 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.689 -1.736 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.123 -3.367 10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.540 -3.377 11.618 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.635 -2.025 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.985 -1.461 12.895 1.00 0.00 H new ATOM 848 N LYS A 57 -6.753 -0.066 7.924 1.00 0.00 N ATOM 849 CA LYS A 57 -7.787 -0.130 6.898 1.00 0.00 C ATOM 850 C LYS A 57 -7.385 -1.092 5.786 1.00 0.00 C ATOM 851 O LYS A 57 -6.286 -1.644 5.798 1.00 0.00 O ATOM 852 CB LYS A 57 -8.045 1.260 6.314 1.00 0.00 C ATOM 853 CG LYS A 57 -8.339 2.317 7.366 1.00 0.00 C ATOM 854 CD LYS A 57 -7.860 3.690 6.923 1.00 0.00 C ATOM 855 CE LYS A 57 -8.934 4.428 6.140 1.00 0.00 C ATOM 856 NZ LYS A 57 -8.797 5.905 6.265 1.00 0.00 N ATOM 0 H LYS A 57 -6.056 0.664 7.773 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.703 -0.496 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.175 1.569 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.886 1.204 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.411 2.350 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.852 2.045 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.577 4.277 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.967 3.584 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.875 4.146 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.918 4.123 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.548 6.371 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.879 6.178 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.869 6.200 5.900 1.00 0.00 H new ATOM 870 N GLU A 58 -8.283 -1.293 4.829 1.00 0.00 N ATOM 871 CA GLU A 58 -8.021 -2.192 3.711 1.00 0.00 C ATOM 872 C GLU A 58 -7.480 -1.431 2.500 1.00 0.00 C ATOM 873 O GLU A 58 -6.937 -2.033 1.574 1.00 0.00 O ATOM 874 CB GLU A 58 -9.296 -2.943 3.324 1.00 0.00 C ATOM 875 CG GLU A 58 -9.095 -3.942 2.196 1.00 0.00 C ATOM 876 CD GLU A 58 -9.659 -5.312 2.521 1.00 0.00 C ATOM 877 OE1 GLU A 58 -9.274 -5.880 3.565 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.486 -5.815 1.733 1.00 0.00 O ATOM 0 H GLU A 58 -9.199 -0.846 4.804 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.264 -2.908 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.678 -3.468 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.057 -2.221 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.570 -3.563 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.030 -4.033 1.982 1.00 0.00 H new ATOM 885 N LEU A 59 -7.631 -0.107 2.511 1.00 0.00 N ATOM 886 CA LEU A 59 -7.158 0.725 1.410 1.00 0.00 C ATOM 887 C LEU A 59 -7.732 0.243 0.081 1.00 0.00 C ATOM 888 O LEU A 59 -7.166 -0.637 -0.567 1.00 0.00 O ATOM 889 CB LEU A 59 -5.630 0.715 1.356 1.00 0.00 C ATOM 890 CG LEU A 59 -5.005 1.668 0.334 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.653 3.043 0.413 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.504 1.772 0.555 1.00 0.00 C ATOM 0 H LEU A 59 -8.076 0.410 3.269 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.500 1.745 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.246 0.967 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.297 -0.299 1.134 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.181 1.265 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.194 3.704 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.719 2.955 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.510 3.456 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.074 2.453 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.309 2.151 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.051 0.787 0.445 1.00 0.00 H new ATOM 904 N MET A 60 -8.863 0.817 -0.312 1.00 0.00 N ATOM 905 CA MET A 60 -9.519 0.439 -1.554 1.00 0.00 C ATOM 906 C MET A 60 -9.047 1.305 -2.718 1.00 0.00 C ATOM 907 O MET A 60 -8.397 2.331 -2.524 1.00 0.00 O ATOM 908 CB MET A 60 -11.035 0.553 -1.399 1.00 0.00 C ATOM 909 CG MET A 60 -11.567 -0.183 -0.184 1.00 0.00 C ATOM 910 SD MET A 60 -13.369 -0.174 -0.098 1.00 0.00 S ATOM 911 CE MET A 60 -13.635 -0.831 1.546 1.00 0.00 C ATOM 0 H MET A 60 -9.344 1.547 0.214 1.00 0.00 H new ATOM 0 HA MET A 60 -9.253 -0.595 -1.774 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.309 1.606 -1.327 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.516 0.159 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.214 -1.214 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.162 0.274 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.705 -0.886 1.747 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.201 -1.829 1.614 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.161 -0.179 2.280 1.00 0.00 H new ATOM 921 N PRO A 61 -9.377 0.890 -3.951 1.00 0.00 N ATOM 922 CA PRO A 61 -8.999 1.610 -5.167 1.00 0.00 C ATOM 923 C PRO A 61 -9.829 2.873 -5.374 1.00 0.00 C ATOM 924 O PRO A 61 -11.000 2.926 -4.998 1.00 0.00 O ATOM 925 CB PRO A 61 -9.272 0.603 -6.297 1.00 0.00 C ATOM 926 CG PRO A 61 -9.664 -0.678 -5.629 1.00 0.00 C ATOM 927 CD PRO A 61 -10.147 -0.317 -4.257 1.00 0.00 C ATOM 0 HA PRO A 61 -7.963 1.947 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.067 0.959 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.386 0.464 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.446 -1.186 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.816 -1.361 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.220 -0.127 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.955 -1.113 -3.538 1.00 0.00 H new ATOM 935 N PRO A 62 -9.229 3.909 -5.981 1.00 0.00 N ATOM 936 CA PRO A 62 -9.915 5.177 -6.243 1.00 0.00 C ATOM 937 C PRO A 62 -10.975 5.046 -7.330 1.00 0.00 C ATOM 938 O PRO A 62 -11.298 3.943 -7.769 1.00 0.00 O ATOM 939 CB PRO A 62 -8.789 6.100 -6.709 1.00 0.00 C ATOM 940 CG PRO A 62 -7.753 5.190 -7.266 1.00 0.00 C ATOM 941 CD PRO A 62 -7.834 3.924 -6.461 1.00 0.00 C ATOM 0 HA PRO A 62 -10.448 5.541 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.142 6.804 -7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.394 6.689 -5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.935 4.992 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.761 5.636 -7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.609 3.047 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.125 3.929 -5.633 1.00 0.00 H new ATOM 949 N GLN A 63 -11.510 6.183 -7.760 1.00 0.00 N ATOM 950 CA GLN A 63 -12.530 6.203 -8.800 1.00 0.00 C ATOM 951 C GLN A 63 -12.280 7.342 -9.782 1.00 0.00 C ATOM 952 O GLN A 63 -11.238 7.997 -9.734 1.00 0.00 O ATOM 953 CB GLN A 63 -13.921 6.341 -8.175 1.00 0.00 C ATOM 954 CG GLN A 63 -14.716 5.045 -8.166 1.00 0.00 C ATOM 955 CD GLN A 63 -14.430 4.194 -6.945 1.00 0.00 C ATOM 956 OE1 GLN A 63 -14.024 4.702 -5.900 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.640 2.888 -7.071 1.00 0.00 N ATOM 0 H GLN A 63 -11.254 7.104 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.479 5.261 -9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.816 6.700 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.483 7.098 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.781 5.276 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.483 4.474 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.977 2.509 -7.956 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.464 2.265 -6.283 1.00 0.00 H new ATOM 966 N ALA A 64 -13.239 7.574 -10.674 1.00 0.00 N ATOM 967 CA ALA A 64 -13.119 8.635 -11.669 1.00 0.00 C ATOM 968 C ALA A 64 -12.849 9.984 -11.008 1.00 0.00 C ATOM 969 O ALA A 64 -13.757 10.611 -10.463 1.00 0.00 O ATOM 970 CB ALA A 64 -14.378 8.704 -12.519 1.00 0.00 C ATOM 0 H ALA A 64 -14.107 7.042 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.271 8.401 -12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.276 9.499 -13.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.525 7.752 -13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.237 8.910 -11.881 1.00 0.00 H new ATOM 976 N GLY A 65 -11.595 10.422 -11.061 1.00 0.00 N ATOM 977 CA GLY A 65 -11.227 11.693 -10.464 1.00 0.00 C ATOM 978 C GLY A 65 -10.187 11.538 -9.372 1.00 0.00 C ATOM 979 O GLY A 65 -9.384 12.440 -9.138 1.00 0.00 O ATOM 0 H GLY A 65 -10.827 9.920 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.841 12.357 -11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.116 12.168 -10.050 1.00 0.00 H new ATOM 983 N MET A 66 -10.202 10.389 -8.704 1.00 0.00 N ATOM 984 CA MET A 66 -9.253 10.115 -7.631 1.00 0.00 C ATOM 985 C MET A 66 -8.134 9.190 -8.107 1.00 0.00 C ATOM 986 O MET A 66 -7.090 9.085 -7.462 1.00 0.00 O ATOM 987 CB MET A 66 -9.973 9.488 -6.435 1.00 0.00 C ATOM 988 CG MET A 66 -10.615 10.508 -5.508 1.00 0.00 C ATOM 989 SD MET A 66 -10.519 10.027 -3.773 1.00 0.00 S ATOM 990 CE MET A 66 -12.211 10.295 -3.252 1.00 0.00 C ATOM 0 H MET A 66 -10.861 9.632 -8.887 1.00 0.00 H new ATOM 0 HA MET A 66 -8.808 11.062 -7.327 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.742 8.807 -6.800 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.261 8.890 -5.866 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.126 11.473 -5.641 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.660 10.640 -5.787 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.311 10.041 -2.197 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.476 11.342 -3.400 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.877 9.666 -3.842 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.354 8.523 -9.238 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.359 7.609 -9.793 1.00 0.00 C ATOM 1002 C GLU A 67 -6.016 8.310 -9.978 1.00 0.00 C ATOM 1003 O GLU A 67 -4.960 7.683 -9.893 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.843 7.050 -11.132 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.024 8.110 -12.206 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.606 7.548 -13.488 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -7.891 6.796 -14.184 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.775 7.858 -13.796 1.00 0.00 O ATOM 0 H GLU A 67 -9.211 8.598 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.225 6.788 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.129 6.306 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.791 6.534 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.678 8.896 -11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.061 8.572 -12.421 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.064 9.614 -10.232 1.00 0.00 N ATOM 1016 CA LYS A 68 -4.853 10.401 -10.428 1.00 0.00 C ATOM 1017 C LYS A 68 -4.232 10.800 -9.090 1.00 0.00 C ATOM 1018 O LYS A 68 -3.069 11.200 -9.032 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.162 11.653 -11.251 1.00 0.00 C ATOM 1020 CG LYS A 68 -5.807 11.352 -12.594 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.817 12.421 -12.978 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.232 12.010 -12.602 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.959 11.405 -13.751 1.00 0.00 N ATOM 0 H LYS A 68 -6.930 10.148 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.136 9.783 -10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.823 12.302 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.238 12.206 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.037 11.285 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.301 10.381 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.564 13.357 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.763 12.605 -14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.196 11.296 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.780 12.882 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.919 11.139 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.016 12.094 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.450 10.558 -14.077 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.010 10.688 -8.016 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.527 11.037 -6.685 1.00 0.00 C ATOM 1039 C GLU A 69 -3.659 9.918 -6.115 1.00 0.00 C ATOM 1040 O GLU A 69 -3.919 8.739 -6.354 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.704 11.316 -5.747 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.092 12.784 -5.678 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.659 13.441 -4.381 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.420 13.365 -3.394 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -4.559 14.032 -4.354 1.00 0.00 O ATOM 0 H GLU A 69 -5.975 10.359 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.920 11.939 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.566 10.736 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.450 10.968 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.643 13.315 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.173 12.876 -5.784 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.609 10.272 -5.357 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.701 9.288 -4.761 1.00 0.00 C ATOM 1054 C PRO A 70 -2.315 8.571 -3.565 1.00 0.00 C ATOM 1055 O PRO A 70 -3.405 8.916 -3.109 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.509 10.134 -4.321 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.082 11.481 -4.051 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.219 11.656 -5.023 1.00 0.00 C ATOM 0 HA PRO A 70 -1.447 8.493 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.036 9.719 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.255 10.177 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.434 11.555 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.330 12.258 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.046 12.209 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.907 12.209 -5.909 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.603 7.566 -3.066 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.065 6.787 -1.925 1.00 0.00 C ATOM 1068 C VAL A 71 -2.103 7.635 -0.654 1.00 0.00 C ATOM 1069 O VAL A 71 -1.494 8.703 -0.591 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.164 5.558 -1.684 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.493 4.453 -2.678 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.306 5.942 -1.768 1.00 0.00 C ATOM 0 H VAL A 71 -0.700 7.272 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.074 6.450 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.357 5.182 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.848 3.594 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.535 4.156 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.332 4.817 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.923 5.060 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.520 6.346 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.529 6.695 -1.012 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.824 7.166 0.382 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.943 7.884 1.662 1.00 0.00 C ATOM 1084 C PRO A 72 -1.645 7.886 2.466 1.00 0.00 C ATOM 1085 O PRO A 72 -1.584 8.454 3.557 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.012 7.083 2.410 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.904 5.710 1.847 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.584 5.900 0.393 1.00 0.00 C ATOM 0 HA PRO A 72 -3.185 8.936 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.833 7.087 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.006 7.501 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.123 5.139 2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.835 5.158 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.995 5.072 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.487 5.966 -0.214 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.618 7.235 1.936 1.00 0.00 N ATOM 1097 CA LEU A 73 0.666 7.146 2.615 1.00 0.00 C ATOM 1098 C LEU A 73 1.663 8.150 2.042 1.00 0.00 C ATOM 1099 O LEU A 73 1.655 8.435 0.845 1.00 0.00 O ATOM 1100 CB LEU A 73 1.215 5.722 2.498 1.00 0.00 C ATOM 1101 CG LEU A 73 0.146 4.632 2.364 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.746 3.353 1.810 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.525 4.377 3.706 1.00 0.00 C ATOM 0 H LEU A 73 -0.651 6.759 1.034 1.00 0.00 H new ATOM 0 HA LEU A 73 0.518 7.388 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.876 5.672 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.824 5.509 3.377 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.612 4.980 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.031 2.594 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.174 3.548 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.528 2.997 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.281 3.600 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.222 4.053 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.997 5.295 4.057 1.00 0.00 H new ATOM 1115 N GLN A 74 2.515 8.688 2.910 1.00 0.00 N ATOM 1116 CA GLN A 74 3.515 9.666 2.497 1.00 0.00 C ATOM 1117 C GLN A 74 4.904 9.284 2.999 1.00 0.00 C ATOM 1118 O GLN A 74 5.079 8.259 3.657 1.00 0.00 O ATOM 1119 CB GLN A 74 3.139 11.054 3.015 1.00 0.00 C ATOM 1120 CG GLN A 74 1.894 11.631 2.362 1.00 0.00 C ATOM 1121 CD GLN A 74 0.626 11.284 3.117 1.00 0.00 C ATOM 1122 OE1 GLN A 74 0.496 11.578 4.305 1.00 0.00 O ATOM 1123 NE2 GLN A 74 -0.320 10.656 2.428 1.00 0.00 N ATOM 0 H GLN A 74 2.532 8.463 3.905 1.00 0.00 H new ATOM 0 HA GLN A 74 3.539 9.681 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.982 11.000 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.975 11.734 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.990 12.715 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.818 11.258 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.170 10.431 1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.196 10.398 2.883 1.00 0.00 H new ATOM 1132 N HIS A 75 5.889 10.117 2.677 1.00 0.00 N ATOM 1133 CA HIS A 75 7.269 9.874 3.088 1.00 0.00 C ATOM 1134 C HIS A 75 7.376 9.710 4.600 1.00 0.00 C ATOM 1135 O HIS A 75 7.237 10.676 5.351 1.00 0.00 O ATOM 1136 CB HIS A 75 8.167 11.023 2.624 1.00 0.00 C ATOM 1137 CG HIS A 75 9.615 10.651 2.538 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.166 9.597 3.235 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.630 11.199 1.827 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.455 9.513 2.959 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.761 10.473 2.106 1.00 0.00 N ATOM 0 H HIS A 75 5.757 10.969 2.131 1.00 0.00 H new ATOM 0 HA HIS A 75 7.599 8.946 2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.829 11.366 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.055 11.861 3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.562 12.049 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.142 8.783 3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.688 10.647 1.717 1.00 0.00 H new ATOM 1150 N GLY A 76 7.633 8.484 5.039 1.00 0.00 N ATOM 1151 CA GLY A 76 7.764 8.216 6.458 1.00 0.00 C ATOM 1152 C GLY A 76 6.581 7.461 7.033 1.00 0.00 C ATOM 1153 O GLY A 76 6.467 7.315 8.250 1.00 0.00 O ATOM 0 H GLY A 76 7.753 7.670 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.673 7.640 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.879 9.160 6.991 1.00 0.00 H new ATOM 1157 N ASP A 77 5.696 6.979 6.164 1.00 0.00 N ATOM 1158 CA ASP A 77 4.522 6.238 6.611 1.00 0.00 C ATOM 1159 C ASP A 77 4.816 4.742 6.676 1.00 0.00 C ATOM 1160 O ASP A 77 5.920 4.300 6.358 1.00 0.00 O ATOM 1161 CB ASP A 77 3.341 6.499 5.675 1.00 0.00 C ATOM 1162 CG ASP A 77 2.354 7.494 6.254 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.654 8.707 6.235 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.281 7.062 6.726 1.00 0.00 O ATOM 0 H ASP A 77 5.769 7.088 5.152 1.00 0.00 H new ATOM 0 HA ASP A 77 4.264 6.583 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.713 6.873 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.828 5.559 5.471 1.00 0.00 H new ATOM 1169 N ARG A 78 3.817 3.969 7.088 1.00 0.00 N ATOM 1170 CA ARG A 78 3.958 2.521 7.195 1.00 0.00 C ATOM 1171 C ARG A 78 2.658 1.831 6.812 1.00 0.00 C ATOM 1172 O ARG A 78 1.571 2.367 7.028 1.00 0.00 O ATOM 1173 CB ARG A 78 4.369 2.120 8.613 1.00 0.00 C ATOM 1174 CG ARG A 78 3.709 2.952 9.702 1.00 0.00 C ATOM 1175 CD ARG A 78 4.701 3.897 10.363 1.00 0.00 C ATOM 1176 NE ARG A 78 4.112 4.603 11.499 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.825 5.195 12.454 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.152 5.169 12.415 1.00 0.00 N ATOM 1179 NH2 ARG A 78 4.209 5.814 13.452 1.00 0.00 N ATOM 0 H ARG A 78 2.898 4.322 7.354 1.00 0.00 H new ATOM 0 HA ARG A 78 4.740 2.204 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.121 1.070 8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.451 2.209 8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.888 3.527 9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.278 2.292 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.571 3.332 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.055 4.622 9.630 1.00 0.00 H new ATOM 0 HE ARG A 78 3.095 4.644 11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.631 4.693 11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.693 5.625 13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.190 5.836 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.754 6.268 14.185 1.00 0.00 H new ATOM 1193 N ILE A 79 2.775 0.646 6.227 1.00 0.00 N ATOM 1194 CA ILE A 79 1.606 -0.104 5.800 1.00 0.00 C ATOM 1195 C ILE A 79 1.770 -1.596 6.053 1.00 0.00 C ATOM 1196 O ILE A 79 2.875 -2.082 6.291 1.00 0.00 O ATOM 1197 CB ILE A 79 1.315 0.114 4.304 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.619 0.260 3.513 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.433 1.334 4.113 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.415 0.303 2.015 1.00 0.00 C ATOM 0 H ILE A 79 3.666 0.186 6.039 1.00 0.00 H new ATOM 0 HA ILE A 79 0.770 0.269 6.392 1.00 0.00 H new ATOM 0 HB ILE A 79 0.786 -0.760 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.126 1.172 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.278 -0.573 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.235 1.477 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.509 1.188 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.939 2.214 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.380 0.407 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.936 -0.619 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.781 1.152 1.758 1.00 0.00 H new ATOM 1212 N THR A 80 0.656 -2.316 5.987 1.00 0.00 N ATOM 1213 CA THR A 80 0.661 -3.756 6.194 1.00 0.00 C ATOM 1214 C THR A 80 -0.068 -4.461 5.059 1.00 0.00 C ATOM 1215 O THR A 80 -1.198 -4.108 4.719 1.00 0.00 O ATOM 1216 CB THR A 80 0.008 -4.110 7.528 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.656 -3.445 8.598 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.028 -5.594 7.828 1.00 0.00 C ATOM 0 H THR A 80 -0.264 -1.923 5.791 1.00 0.00 H new ATOM 0 HA THR A 80 1.698 -4.092 6.210 1.00 0.00 H new ATOM 0 HB THR A 80 -1.029 -3.788 7.436 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.221 -3.684 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.451 -5.777 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.510 -6.130 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.060 -5.944 7.864 1.00 0.00 H new ATOM 1226 N ILE A 81 0.584 -5.455 4.474 1.00 0.00 N ATOM 1227 CA ILE A 81 0.001 -6.208 3.375 1.00 0.00 C ATOM 1228 C ILE A 81 -0.544 -7.547 3.851 1.00 0.00 C ATOM 1229 O ILE A 81 -0.077 -8.104 4.844 1.00 0.00 O ATOM 1230 CB ILE A 81 1.032 -6.461 2.260 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.766 -5.166 1.912 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.349 -7.040 1.031 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.844 -4.038 1.504 1.00 0.00 C ATOM 0 H ILE A 81 1.520 -5.759 4.743 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.816 -5.604 2.980 1.00 0.00 H new ATOM 0 HB ILE A 81 1.765 -7.185 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.355 -4.849 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.467 -5.362 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.090 -7.214 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.131 -7.983 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.402 -6.339 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.434 -3.152 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.273 -4.335 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.159 -3.814 2.322 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.530 -8.063 3.130 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.131 -9.345 3.471 1.00 0.00 C ATOM 1247 C GLU A 82 -2.279 -10.211 2.224 1.00 0.00 C ATOM 1248 O GLU A 82 -3.003 -9.857 1.292 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.491 -9.138 4.150 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.440 -10.320 4.015 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.729 -10.127 4.790 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.674 -10.103 6.038 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.794 -9.999 4.149 1.00 0.00 O ATOM 0 H GLU A 82 -1.930 -7.614 2.306 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.474 -9.860 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.329 -8.935 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.966 -8.254 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.674 -10.474 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.941 -11.223 4.367 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.589 -11.345 2.215 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.645 -12.260 1.086 1.00 0.00 C ATOM 1262 C ILE A 83 -3.039 -12.863 0.942 1.00 0.00 C ATOM 1263 O ILE A 83 -3.453 -13.699 1.745 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.612 -13.395 1.226 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.808 -12.820 1.291 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.740 -14.375 0.067 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.430 -12.888 2.669 1.00 0.00 C ATOM 0 H ILE A 83 -0.985 -11.651 2.978 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.408 -11.680 0.194 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.809 -13.932 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.442 -13.361 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.785 -11.781 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.004 -15.171 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.742 -14.805 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.567 -13.851 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.433 -12.463 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.819 -12.322 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.486 -13.928 2.992 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.757 -12.431 -0.088 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.104 -12.924 -0.342 1.00 0.00 C ATOM 1281 C LEU A 84 -5.070 -14.355 -0.871 1.00 0.00 C ATOM 1282 O LEU A 84 -4.004 -14.887 -1.183 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.823 -12.014 -1.340 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.761 -10.519 -1.016 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.614 -9.728 -1.994 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.211 -10.264 0.415 1.00 0.00 C ATOM 0 H LEU A 84 -3.428 -11.739 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.650 -12.919 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.393 -12.174 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.869 -12.315 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.728 -10.187 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.559 -8.667 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.247 -9.886 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.649 -10.062 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.160 -9.196 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.237 -10.611 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.559 -10.802 1.103 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.242 -14.970 -0.972 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.350 -16.337 -1.463 1.00 0.00 C ATOM 1300 C LYS A 85 -6.665 -16.351 -2.954 1.00 0.00 C ATOM 1301 O LYS A 85 -7.819 -16.214 -3.359 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.435 -17.094 -0.694 1.00 0.00 C ATOM 1303 CG LYS A 85 -6.917 -17.814 0.540 1.00 0.00 C ATOM 1304 CD LYS A 85 -5.884 -18.870 0.180 1.00 0.00 C ATOM 1305 CE LYS A 85 -4.496 -18.484 0.665 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.305 -18.795 2.108 1.00 0.00 N ATOM 0 H LYS A 85 -7.133 -14.542 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.392 -16.832 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.213 -16.392 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.900 -17.821 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.475 -17.091 1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.750 -18.283 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.171 -19.825 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.867 -19.009 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.746 -19.013 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.337 -17.418 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.346 -18.517 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.004 -18.270 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.431 -19.816 2.263 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.628 -16.518 -3.764 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.806 -16.549 -5.203 1.00 0.00 C ATOM 1322 C GLY A 86 -6.458 -17.832 -5.681 1.00 0.00 C ATOM 1323 O GLY A 86 -5.731 -18.828 -5.883 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.696 -17.842 -5.852 1.00 0.00 O ATOM 0 H GLY A 86 -4.664 -16.633 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.417 -15.699 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.837 -16.435 -5.688 1.00 0.00 H new