USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 GLY N :NH3+ 149:sc= 0.0685 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.0614 (180deg=-0.419) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.428 USER MOD Single : A 18 TYR OH : rot 171:sc= 0.909 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00782) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.09) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.978 USER MOD Single : A 36 THR OG1 : rot -30:sc= 0.409 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0.882 (180deg=0.873) USER MOD Single : A 49 SER OG : rot -146:sc= -1.75! USER MOD Single : A 50 MET CE :methyl -159:sc= -0.151 (180deg=-0.646) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -136:sc= -1.86 (180deg=-2.87!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.345 F(o=-2.2!,f=0.35) USER MOD Single : A 77 SER OG : rot 32:sc= 1.03 USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.943 USER MOD Single : A 83 ASN : amide:sc= 0.022 X(o=0.022,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.44) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.856 -14.278 29.866 1.00 0.00 N ATOM 2 CA GLY A 1 0.596 -15.183 28.756 1.00 0.00 C ATOM 3 C GLY A 1 1.069 -14.574 27.478 1.00 0.00 C ATOM 4 O GLY A 1 0.956 -13.360 27.305 1.00 0.00 O ATOM 0 H1 GLY A 1 0.126 -14.406 30.596 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.791 -14.485 30.271 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.836 -13.296 29.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.103 -16.133 28.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.471 -15.397 28.693 1.00 0.00 H new ATOM 10 N HIS A 2 1.622 -15.373 26.593 1.00 0.00 N ATOM 11 CA HIS A 2 2.087 -14.860 25.320 1.00 0.00 C ATOM 12 C HIS A 2 0.984 -14.901 24.274 1.00 0.00 C ATOM 13 O HIS A 2 0.563 -13.859 23.766 1.00 0.00 O ATOM 14 CB HIS A 2 3.327 -15.627 24.792 1.00 0.00 C ATOM 15 CG HIS A 2 4.599 -15.427 25.574 1.00 0.00 C ATOM 16 ND1 HIS A 2 5.436 -16.455 25.967 1.00 0.00 N ATOM 17 CD2 HIS A 2 5.206 -14.284 25.974 1.00 0.00 C ATOM 18 CE1 HIS A 2 6.496 -15.923 26.573 1.00 0.00 C ATOM 19 NE2 HIS A 2 6.409 -14.601 26.607 1.00 0.00 N ATOM 0 H HIS A 2 1.761 -16.374 26.728 1.00 0.00 H new ATOM 0 HA HIS A 2 2.379 -13.825 25.497 1.00 0.00 H new ATOM 0 HB2 HIS A 2 3.094 -16.692 24.778 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.505 -15.326 23.760 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.820 -13.286 25.827 1.00 0.00 H new ATOM 0 HE1 HIS A 2 7.317 -16.493 26.982 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.082 -13.950 27.012 1.00 0.00 H new ATOM 27 N MET A 3 0.492 -16.108 24.011 1.00 0.00 N ATOM 28 CA MET A 3 -0.456 -16.383 22.934 1.00 0.00 C ATOM 29 C MET A 3 0.197 -16.026 21.609 1.00 0.00 C ATOM 30 O MET A 3 0.024 -14.922 21.060 1.00 0.00 O ATOM 31 CB MET A 3 -1.828 -15.691 23.121 1.00 0.00 C ATOM 32 CG MET A 3 -2.844 -16.038 22.035 1.00 0.00 C ATOM 33 SD MET A 3 -4.472 -15.297 22.313 1.00 0.00 S ATOM 34 CE MET A 3 -4.074 -13.550 22.269 1.00 0.00 C ATOM 0 H MET A 3 0.745 -16.937 24.549 1.00 0.00 H new ATOM 0 HA MET A 3 -0.691 -17.447 22.951 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.237 -15.971 24.092 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.681 -14.611 23.137 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.461 -15.706 21.070 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.950 -17.121 21.980 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.989 -12.972 22.140 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.592 -13.263 23.203 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.399 -13.351 21.437 1.00 0.00 H new ATOM 44 N LEU A 4 1.007 -16.944 21.143 1.00 0.00 N ATOM 45 CA LEU A 4 1.808 -16.760 19.961 1.00 0.00 C ATOM 46 C LEU A 4 0.984 -16.966 18.699 1.00 0.00 C ATOM 47 O LEU A 4 -0.256 -17.071 18.767 1.00 0.00 O ATOM 48 CB LEU A 4 3.028 -17.693 19.998 1.00 0.00 C ATOM 49 CG LEU A 4 3.985 -17.500 21.184 1.00 0.00 C ATOM 50 CD1 LEU A 4 5.085 -18.537 21.153 1.00 0.00 C ATOM 51 CD2 LEU A 4 4.581 -16.100 21.174 1.00 0.00 C ATOM 0 H LEU A 4 1.129 -17.856 21.583 1.00 0.00 H new ATOM 0 HA LEU A 4 2.167 -15.731 19.943 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.673 -18.723 20.007 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.592 -17.558 19.075 1.00 0.00 H new ATOM 0 HG LEU A 4 3.414 -17.625 22.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.753 -18.384 22.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.647 -19.534 21.211 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.649 -18.442 20.225 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.255 -15.986 22.023 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.134 -15.947 20.247 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.781 -15.363 21.245 1.00 0.00 H new ATOM 63 N ARG A 5 1.681 -17.040 17.567 1.00 0.00 N ATOM 64 CA ARG A 5 1.086 -17.096 16.246 1.00 0.00 C ATOM 65 C ARG A 5 0.519 -15.757 15.884 1.00 0.00 C ATOM 66 O ARG A 5 -0.598 -15.404 16.262 1.00 0.00 O ATOM 67 CB ARG A 5 0.065 -18.231 16.043 1.00 0.00 C ATOM 68 CG ARG A 5 0.668 -19.628 16.014 1.00 0.00 C ATOM 69 CD ARG A 5 1.776 -19.747 14.962 1.00 0.00 C ATOM 70 NE ARG A 5 1.355 -19.241 13.639 1.00 0.00 N ATOM 71 CZ ARG A 5 2.130 -19.203 12.541 1.00 0.00 C ATOM 72 NH1 ARG A 5 3.342 -19.743 12.550 1.00 0.00 N ATOM 73 NH2 ARG A 5 1.671 -18.628 11.434 1.00 0.00 N ATOM 0 H ARG A 5 2.701 -17.063 17.550 1.00 0.00 H new ATOM 0 HA ARG A 5 1.894 -17.346 15.558 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.674 -18.185 16.843 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.468 -18.060 15.107 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.072 -19.870 16.997 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.114 -20.357 15.803 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.653 -19.193 15.298 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.075 -20.791 14.870 1.00 0.00 H new ATOM 0 HE ARG A 5 0.400 -18.893 13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.694 -20.192 13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.922 -19.709 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.737 -18.219 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.253 -18.595 10.597 1.00 0.00 H new ATOM 87 N THR A 6 1.334 -14.994 15.212 1.00 0.00 N ATOM 88 CA THR A 6 1.007 -13.672 14.800 1.00 0.00 C ATOM 89 C THR A 6 -0.234 -13.680 13.892 1.00 0.00 C ATOM 90 O THR A 6 -0.337 -14.482 12.932 1.00 0.00 O ATOM 91 CB THR A 6 2.240 -12.978 14.116 1.00 0.00 C ATOM 92 OG1 THR A 6 1.942 -11.620 13.755 1.00 0.00 O ATOM 93 CG2 THR A 6 2.718 -13.743 12.881 1.00 0.00 C ATOM 0 H THR A 6 2.269 -15.290 14.931 1.00 0.00 H new ATOM 0 HA THR A 6 0.759 -13.082 15.682 1.00 0.00 H new ATOM 0 HB THR A 6 3.043 -12.982 14.853 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.728 -11.214 13.333 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.571 -13.227 12.441 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.013 -14.752 13.170 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.910 -13.796 12.151 1.00 0.00 H new ATOM 101 N ALA A 7 -1.191 -12.857 14.246 1.00 0.00 N ATOM 102 CA ALA A 7 -2.394 -12.722 13.488 1.00 0.00 C ATOM 103 C ALA A 7 -2.091 -11.934 12.238 1.00 0.00 C ATOM 104 O ALA A 7 -1.749 -10.742 12.302 1.00 0.00 O ATOM 105 CB ALA A 7 -3.475 -12.039 14.317 1.00 0.00 C ATOM 0 H ALA A 7 -1.149 -12.262 15.074 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.769 -13.707 13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.384 -11.945 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.683 -12.635 15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.133 -11.048 14.616 1.00 0.00 H new ATOM 111 N GLY A 8 -2.127 -12.606 11.131 1.00 0.00 N ATOM 112 CA GLY A 8 -1.873 -11.982 9.877 1.00 0.00 C ATOM 113 C GLY A 8 -2.814 -12.491 8.843 1.00 0.00 C ATOM 114 O GLY A 8 -2.801 -13.680 8.524 1.00 0.00 O ATOM 0 H GLY A 8 -2.334 -13.603 11.074 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.979 -10.901 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.845 -12.175 9.569 1.00 0.00 H new ATOM 118 N ARG A 9 -3.655 -11.625 8.363 1.00 0.00 N ATOM 119 CA ARG A 9 -4.610 -11.953 7.348 1.00 0.00 C ATOM 120 C ARG A 9 -4.900 -10.690 6.574 1.00 0.00 C ATOM 121 O ARG A 9 -4.706 -9.590 7.112 1.00 0.00 O ATOM 122 CB ARG A 9 -5.914 -12.494 7.974 1.00 0.00 C ATOM 123 CG ARG A 9 -6.950 -12.915 6.943 1.00 0.00 C ATOM 124 CD ARG A 9 -8.248 -13.357 7.572 1.00 0.00 C ATOM 125 NE ARG A 9 -9.256 -13.653 6.547 1.00 0.00 N ATOM 126 CZ ARG A 9 -10.549 -13.877 6.779 1.00 0.00 C ATOM 127 NH1 ARG A 9 -11.013 -13.880 8.018 1.00 0.00 N ATOM 128 NH2 ARG A 9 -11.372 -14.107 5.765 1.00 0.00 N ATOM 0 H ARG A 9 -3.697 -10.654 8.671 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.209 -12.729 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.677 -13.348 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.344 -11.727 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.143 -12.082 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.547 -13.729 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.076 -14.242 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.618 -12.576 8.237 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.941 -13.690 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.380 -13.710 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.003 -14.052 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.015 -14.112 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.362 -14.279 5.941 1.00 0.00 H new ATOM 142 N ASP A 10 -5.269 -10.855 5.307 1.00 0.00 N ATOM 143 CA ASP A 10 -5.728 -9.783 4.406 1.00 0.00 C ATOM 144 C ASP A 10 -4.586 -8.940 3.876 1.00 0.00 C ATOM 145 O ASP A 10 -4.421 -8.824 2.652 1.00 0.00 O ATOM 146 CB ASP A 10 -6.816 -8.912 5.049 1.00 0.00 C ATOM 147 CG ASP A 10 -7.418 -7.926 4.080 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.312 -8.327 3.286 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.065 -6.758 4.106 1.00 0.00 O ATOM 0 H ASP A 10 -5.259 -11.770 4.856 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.177 -10.283 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.603 -9.554 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.391 -8.371 5.894 1.00 0.00 H new ATOM 154 N GLY A 11 -3.782 -8.397 4.796 1.00 0.00 N ATOM 155 CA GLY A 11 -2.649 -7.551 4.459 1.00 0.00 C ATOM 156 C GLY A 11 -1.736 -8.187 3.439 1.00 0.00 C ATOM 157 O GLY A 11 -1.652 -7.719 2.288 1.00 0.00 O ATOM 0 H GLY A 11 -3.906 -8.537 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.013 -6.599 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.081 -7.332 5.363 1.00 0.00 H new ATOM 161 N LEU A 12 -1.097 -9.282 3.798 1.00 0.00 N ATOM 162 CA LEU A 12 -0.229 -9.953 2.863 1.00 0.00 C ATOM 163 C LEU A 12 -1.040 -10.866 1.989 1.00 0.00 C ATOM 164 O LEU A 12 -1.175 -12.071 2.228 1.00 0.00 O ATOM 165 CB LEU A 12 0.883 -10.695 3.535 1.00 0.00 C ATOM 166 CG LEU A 12 1.915 -11.349 2.606 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.634 -10.310 1.761 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.897 -12.152 3.406 1.00 0.00 C ATOM 0 H LEU A 12 -1.163 -9.718 4.718 1.00 0.00 H new ATOM 0 HA LEU A 12 0.248 -9.190 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.406 -10.004 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.447 -11.471 4.164 1.00 0.00 H new ATOM 0 HG LEU A 12 1.385 -12.017 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.358 -10.805 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.909 -9.773 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.151 -9.606 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.624 -12.611 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.414 -11.499 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.368 -12.931 3.956 1.00 0.00 H new ATOM 180 N CYS A 13 -1.646 -10.229 1.074 1.00 0.00 N ATOM 181 CA CYS A 13 -2.513 -10.782 0.064 1.00 0.00 C ATOM 182 C CYS A 13 -3.039 -9.614 -0.755 1.00 0.00 C ATOM 183 O CYS A 13 -2.633 -9.416 -1.904 1.00 0.00 O ATOM 184 CB CYS A 13 -3.691 -11.550 0.706 1.00 0.00 C ATOM 185 SG CYS A 13 -4.849 -12.314 -0.450 1.00 0.00 S ATOM 0 H CYS A 13 -1.555 -9.217 0.985 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.966 -11.489 -0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.285 -12.328 1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.244 -10.862 1.345 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.784 -12.926 0.214 1.00 0.00 H new ATOM 191 N ARG A 14 -3.853 -8.771 -0.100 1.00 0.00 N ATOM 192 CA ARG A 14 -4.489 -7.612 -0.731 1.00 0.00 C ATOM 193 C ARG A 14 -3.420 -6.663 -1.244 1.00 0.00 C ATOM 194 O ARG A 14 -3.474 -6.194 -2.375 1.00 0.00 O ATOM 195 CB ARG A 14 -5.379 -6.869 0.288 1.00 0.00 C ATOM 196 CG ARG A 14 -6.198 -5.744 -0.323 1.00 0.00 C ATOM 197 CD ARG A 14 -6.927 -4.898 0.714 1.00 0.00 C ATOM 198 NE ARG A 14 -7.823 -5.665 1.563 1.00 0.00 N ATOM 199 CZ ARG A 14 -9.078 -5.327 1.891 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.642 -4.208 1.427 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.756 -6.112 2.691 1.00 0.00 N ATOM 0 H ARG A 14 -4.087 -8.878 0.887 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.107 -7.959 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.054 -7.585 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.749 -6.460 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.540 -5.102 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.927 -6.168 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.192 -4.391 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.498 -4.123 0.203 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.464 -6.540 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.116 -3.590 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.599 -3.972 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.328 -6.964 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.712 -5.871 2.952 1.00 0.00 H new ATOM 215 N LEU A 15 -2.428 -6.439 -0.400 1.00 0.00 N ATOM 216 CA LEU A 15 -1.320 -5.559 -0.672 1.00 0.00 C ATOM 217 C LEU A 15 -0.622 -5.929 -1.980 1.00 0.00 C ATOM 218 O LEU A 15 -0.392 -5.071 -2.823 1.00 0.00 O ATOM 219 CB LEU A 15 -0.354 -5.637 0.509 1.00 0.00 C ATOM 220 CG LEU A 15 0.912 -4.814 0.448 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.586 -3.365 0.295 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.713 -5.027 1.707 1.00 0.00 C ATOM 0 H LEU A 15 -2.376 -6.880 0.518 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.682 -4.538 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.899 -5.344 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.067 -6.681 0.637 1.00 0.00 H new ATOM 0 HG LEU A 15 1.498 -5.132 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.509 -2.787 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.021 -3.214 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.010 -3.035 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.626 -4.433 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.122 -4.720 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.971 -6.082 1.800 1.00 0.00 H new ATOM 234 N SER A 16 -0.357 -7.209 -2.158 1.00 0.00 N ATOM 235 CA SER A 16 0.329 -7.687 -3.334 1.00 0.00 C ATOM 236 C SER A 16 -0.542 -7.448 -4.579 1.00 0.00 C ATOM 237 O SER A 16 -0.073 -6.886 -5.559 1.00 0.00 O ATOM 238 CB SER A 16 0.682 -9.177 -3.164 1.00 0.00 C ATOM 239 OG SER A 16 1.482 -9.668 -4.228 1.00 0.00 O ATOM 0 H SER A 16 -0.611 -7.940 -1.493 1.00 0.00 H new ATOM 0 HA SER A 16 1.260 -7.136 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.211 -9.317 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.237 -9.761 -3.104 1.00 0.00 H new ATOM 0 HG SER A 16 1.682 -10.615 -4.077 1.00 0.00 H new ATOM 245 N THR A 17 -1.832 -7.792 -4.475 1.00 0.00 N ATOM 246 CA THR A 17 -2.785 -7.662 -5.577 1.00 0.00 C ATOM 247 C THR A 17 -2.881 -6.199 -6.081 1.00 0.00 C ATOM 248 O THR A 17 -2.928 -5.938 -7.293 1.00 0.00 O ATOM 249 CB THR A 17 -4.168 -8.156 -5.104 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.008 -9.462 -4.524 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.156 -8.245 -6.259 1.00 0.00 C ATOM 0 H THR A 17 -2.242 -8.169 -3.621 1.00 0.00 H new ATOM 0 HA THR A 17 -2.436 -8.270 -6.412 1.00 0.00 H new ATOM 0 HB THR A 17 -4.562 -7.446 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.695 -9.373 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.119 -8.596 -5.888 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.278 -7.260 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.779 -8.942 -7.007 1.00 0.00 H new ATOM 259 N TYR A 18 -2.870 -5.260 -5.158 1.00 0.00 N ATOM 260 CA TYR A 18 -2.951 -3.852 -5.512 1.00 0.00 C ATOM 261 C TYR A 18 -1.629 -3.342 -6.062 1.00 0.00 C ATOM 262 O TYR A 18 -1.598 -2.622 -7.060 1.00 0.00 O ATOM 263 CB TYR A 18 -3.428 -3.000 -4.326 1.00 0.00 C ATOM 264 CG TYR A 18 -4.911 -3.144 -4.012 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.455 -4.363 -3.659 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.760 -2.051 -4.065 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.791 -4.498 -3.371 1.00 0.00 C ATOM 268 CE2 TYR A 18 -7.101 -2.177 -3.778 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.610 -3.405 -3.431 1.00 0.00 C ATOM 270 OH TYR A 18 -8.948 -3.539 -3.129 1.00 0.00 O ATOM 0 H TYR A 18 -2.806 -5.443 -4.157 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.695 -3.757 -6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.852 -3.273 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.212 -1.952 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.815 -5.231 -3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.364 -1.084 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.193 -5.463 -3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.749 -1.315 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.360 -2.652 -3.069 1.00 0.00 H new ATOM 280 N LEU A 19 -0.535 -3.769 -5.462 1.00 0.00 N ATOM 281 CA LEU A 19 0.784 -3.318 -5.878 1.00 0.00 C ATOM 282 C LEU A 19 1.178 -3.816 -7.267 1.00 0.00 C ATOM 283 O LEU A 19 2.084 -3.261 -7.886 1.00 0.00 O ATOM 284 CB LEU A 19 1.861 -3.661 -4.841 1.00 0.00 C ATOM 285 CG LEU A 19 1.831 -2.860 -3.527 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.858 -3.414 -2.558 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.108 -1.382 -3.795 1.00 0.00 C ATOM 0 H LEU A 19 -0.531 -4.428 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 19 0.717 -2.232 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.774 -4.720 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.838 -3.520 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 19 0.839 -2.953 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.830 -2.841 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.632 -4.459 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.852 -3.341 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.083 -0.831 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.091 -1.273 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.348 -0.986 -4.468 1.00 0.00 H new ATOM 299 N GLU A 20 0.482 -4.835 -7.774 1.00 0.00 N ATOM 300 CA GLU A 20 0.769 -5.391 -9.104 1.00 0.00 C ATOM 301 C GLU A 20 0.459 -4.410 -10.225 1.00 0.00 C ATOM 302 O GLU A 20 0.965 -4.559 -11.347 1.00 0.00 O ATOM 303 CB GLU A 20 0.042 -6.706 -9.331 1.00 0.00 C ATOM 304 CG GLU A 20 0.493 -7.795 -8.393 1.00 0.00 C ATOM 305 CD GLU A 20 -0.198 -9.091 -8.625 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.323 -9.275 -8.152 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.387 -9.973 -9.275 1.00 0.00 O ATOM 0 H GLU A 20 -0.286 -5.295 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 20 1.842 -5.584 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.030 -6.549 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.201 -7.030 -10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.568 -7.939 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.318 -7.476 -7.365 1.00 0.00 H new ATOM 314 N GLU A 21 -0.348 -3.408 -9.925 1.00 0.00 N ATOM 315 CA GLU A 21 -0.700 -2.392 -10.899 1.00 0.00 C ATOM 316 C GLU A 21 0.400 -1.333 -11.018 1.00 0.00 C ATOM 317 O GLU A 21 0.363 -0.471 -11.893 1.00 0.00 O ATOM 318 CB GLU A 21 -2.041 -1.756 -10.549 1.00 0.00 C ATOM 319 CG GLU A 21 -3.208 -2.723 -10.637 1.00 0.00 C ATOM 320 CD GLU A 21 -4.525 -2.077 -10.316 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.780 -0.951 -10.792 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.362 -2.705 -9.635 1.00 0.00 O ATOM 0 H GLU A 21 -0.774 -3.276 -9.008 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.796 -2.874 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.990 -1.351 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.223 -0.917 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.250 -3.144 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.039 -3.553 -9.951 1.00 0.00 H new ATOM 329 N LEU A 22 1.360 -1.395 -10.128 1.00 0.00 N ATOM 330 CA LEU A 22 2.481 -0.506 -10.140 1.00 0.00 C ATOM 331 C LEU A 22 3.668 -1.178 -10.803 1.00 0.00 C ATOM 332 O LEU A 22 3.989 -2.334 -10.504 1.00 0.00 O ATOM 333 CB LEU A 22 2.862 -0.064 -8.715 1.00 0.00 C ATOM 334 CG LEU A 22 1.891 0.874 -7.978 1.00 0.00 C ATOM 335 CD1 LEU A 22 0.573 0.206 -7.621 1.00 0.00 C ATOM 336 CD2 LEU A 22 2.553 1.466 -6.751 1.00 0.00 C ATOM 0 H LEU A 22 1.379 -2.075 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 22 2.200 0.381 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.990 -0.960 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.833 0.429 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 22 1.645 1.679 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.068 0.919 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.078 -0.132 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.762 -0.649 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.851 2.127 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.851 0.664 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.434 2.034 -7.051 1.00 0.00 H new ATOM 348 N GLU A 23 4.299 -0.477 -11.714 1.00 0.00 N ATOM 349 CA GLU A 23 5.469 -0.993 -12.385 1.00 0.00 C ATOM 350 C GLU A 23 6.731 -0.470 -11.688 1.00 0.00 C ATOM 351 O GLU A 23 6.634 0.124 -10.613 1.00 0.00 O ATOM 352 CB GLU A 23 5.486 -0.568 -13.844 1.00 0.00 C ATOM 353 CG GLU A 23 5.669 0.910 -14.075 1.00 0.00 C ATOM 354 CD GLU A 23 6.338 1.158 -15.388 1.00 0.00 C ATOM 355 OE1 GLU A 23 7.583 1.113 -15.424 1.00 0.00 O ATOM 356 OE2 GLU A 23 5.651 1.390 -16.396 1.00 0.00 O ATOM 0 H GLU A 23 4.020 0.459 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 23 5.442 -2.082 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.288 -1.102 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.551 -0.880 -14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.700 1.410 -14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.266 1.338 -13.270 1.00 0.00 H new ATOM 363 N ALA A 24 7.895 -0.653 -12.325 1.00 0.00 N ATOM 364 CA ALA A 24 9.191 -0.219 -11.786 1.00 0.00 C ATOM 365 C ALA A 24 9.183 1.250 -11.355 1.00 0.00 C ATOM 366 O ALA A 24 9.521 1.552 -10.216 1.00 0.00 O ATOM 367 CB ALA A 24 10.299 -0.455 -12.800 1.00 0.00 C ATOM 0 H ALA A 24 7.965 -1.109 -13.235 1.00 0.00 H new ATOM 0 HA ALA A 24 9.378 -0.821 -10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.251 -0.127 -12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.354 -1.517 -13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.088 0.110 -13.708 1.00 0.00 H new ATOM 373 N VAL A 25 8.763 2.158 -12.247 1.00 0.00 N ATOM 374 CA VAL A 25 8.750 3.594 -11.921 1.00 0.00 C ATOM 375 C VAL A 25 7.721 3.918 -10.831 1.00 0.00 C ATOM 376 O VAL A 25 7.948 4.769 -9.976 1.00 0.00 O ATOM 377 CB VAL A 25 8.525 4.513 -13.178 1.00 0.00 C ATOM 378 CG1 VAL A 25 7.197 4.231 -13.863 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.605 5.984 -12.799 1.00 0.00 C ATOM 0 H VAL A 25 8.433 1.931 -13.185 1.00 0.00 H new ATOM 0 HA VAL A 25 9.746 3.816 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 25 9.324 4.280 -13.882 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.085 4.889 -14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.171 3.193 -14.193 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.381 4.409 -13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.446 6.597 -13.686 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.838 6.211 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.588 6.199 -12.381 1.00 0.00 H new ATOM 389 N GLU A 26 6.640 3.188 -10.822 1.00 0.00 N ATOM 390 CA GLU A 26 5.566 3.432 -9.884 1.00 0.00 C ATOM 391 C GLU A 26 5.974 2.976 -8.493 1.00 0.00 C ATOM 392 O GLU A 26 5.814 3.704 -7.508 1.00 0.00 O ATOM 393 CB GLU A 26 4.320 2.719 -10.356 1.00 0.00 C ATOM 394 CG GLU A 26 3.872 3.163 -11.734 1.00 0.00 C ATOM 395 CD GLU A 26 3.496 4.625 -11.766 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.431 4.982 -11.237 1.00 0.00 O ATOM 397 OE2 GLU A 26 4.256 5.442 -12.325 1.00 0.00 O ATOM 0 H GLU A 26 6.474 2.409 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 26 5.354 4.500 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.505 1.645 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.514 2.896 -9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.672 2.979 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.018 2.563 -12.048 1.00 0.00 H new ATOM 404 N LEU A 27 6.561 1.795 -8.433 1.00 0.00 N ATOM 405 CA LEU A 27 7.078 1.241 -7.196 1.00 0.00 C ATOM 406 C LEU A 27 8.265 2.060 -6.713 1.00 0.00 C ATOM 407 O LEU A 27 8.537 2.126 -5.528 1.00 0.00 O ATOM 408 CB LEU A 27 7.495 -0.221 -7.386 1.00 0.00 C ATOM 409 CG LEU A 27 6.376 -1.234 -7.657 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.966 -2.603 -7.917 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.414 -1.303 -6.479 1.00 0.00 C ATOM 0 H LEU A 27 6.693 1.191 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 27 6.287 1.279 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.202 -0.267 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.031 -0.539 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 27 5.824 -0.906 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.163 -3.315 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.624 -2.557 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.536 -2.925 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.628 -2.028 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.956 -1.609 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.968 -0.322 -6.316 1.00 0.00 H new ATOM 423 N LYS A 28 8.945 2.699 -7.650 1.00 0.00 N ATOM 424 CA LYS A 28 10.097 3.536 -7.358 1.00 0.00 C ATOM 425 C LYS A 28 9.680 4.737 -6.508 1.00 0.00 C ATOM 426 O LYS A 28 10.345 5.097 -5.539 1.00 0.00 O ATOM 427 CB LYS A 28 10.730 4.021 -8.660 1.00 0.00 C ATOM 428 CG LYS A 28 12.002 4.796 -8.474 1.00 0.00 C ATOM 429 CD LYS A 28 12.490 5.381 -9.775 1.00 0.00 C ATOM 430 CE LYS A 28 13.762 6.156 -9.551 1.00 0.00 C ATOM 431 NZ LYS A 28 14.245 6.792 -10.780 1.00 0.00 N ATOM 0 H LYS A 28 8.712 2.651 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 28 10.825 2.946 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.932 3.159 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.011 4.646 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.839 5.597 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.769 4.143 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.663 4.584 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.727 6.034 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.592 6.919 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.530 5.487 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.122 7.314 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.433 6.063 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.524 7.451 -11.137 1.00 0.00 H new ATOM 445 N LYS A 29 8.564 5.332 -6.871 1.00 0.00 N ATOM 446 CA LYS A 29 8.020 6.482 -6.152 1.00 0.00 C ATOM 447 C LYS A 29 7.555 6.011 -4.778 1.00 0.00 C ATOM 448 O LYS A 29 7.794 6.645 -3.758 1.00 0.00 O ATOM 449 CB LYS A 29 6.801 7.008 -6.886 1.00 0.00 C ATOM 450 CG LYS A 29 6.973 7.243 -8.370 1.00 0.00 C ATOM 451 CD LYS A 29 5.652 7.672 -8.982 1.00 0.00 C ATOM 452 CE LYS A 29 5.710 7.715 -10.495 1.00 0.00 C ATOM 453 NZ LYS A 29 6.694 8.683 -11.013 1.00 0.00 N ATOM 0 H LYS A 29 8.003 5.039 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 29 8.782 7.257 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.982 6.303 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.499 7.947 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.729 8.010 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.329 6.332 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.868 6.982 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.380 8.657 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.955 6.722 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.723 7.968 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.649 8.701 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.479 9.630 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.649 8.402 -10.713 1.00 0.00 H new ATOM 467 N PHE A 30 6.899 4.880 -4.794 1.00 0.00 N ATOM 468 CA PHE A 30 6.362 4.236 -3.621 1.00 0.00 C ATOM 469 C PHE A 30 7.449 3.883 -2.591 1.00 0.00 C ATOM 470 O PHE A 30 7.325 4.217 -1.414 1.00 0.00 O ATOM 471 CB PHE A 30 5.504 3.035 -4.085 1.00 0.00 C ATOM 472 CG PHE A 30 5.411 1.840 -3.179 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.528 1.782 -2.110 1.00 0.00 C ATOM 474 CD2 PHE A 30 6.189 0.739 -3.451 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.445 0.649 -1.343 1.00 0.00 C ATOM 476 CE2 PHE A 30 6.114 -0.389 -2.682 1.00 0.00 C ATOM 477 CZ PHE A 30 5.243 -0.440 -1.630 1.00 0.00 C ATOM 0 H PHE A 30 6.717 4.363 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 30 5.717 4.924 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.492 3.398 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.895 2.696 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.904 2.633 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.872 0.766 -4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.755 0.608 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.742 -1.239 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.179 -1.332 -1.024 1.00 0.00 H new ATOM 487 N LYS A 31 8.531 3.273 -3.044 1.00 0.00 N ATOM 488 CA LYS A 31 9.615 2.880 -2.149 1.00 0.00 C ATOM 489 C LYS A 31 10.333 4.110 -1.607 1.00 0.00 C ATOM 490 O LYS A 31 10.818 4.124 -0.479 1.00 0.00 O ATOM 491 CB LYS A 31 10.604 1.942 -2.862 1.00 0.00 C ATOM 492 CG LYS A 31 11.480 2.580 -3.944 1.00 0.00 C ATOM 493 CD LYS A 31 12.324 1.537 -4.660 1.00 0.00 C ATOM 494 CE LYS A 31 13.258 2.161 -5.690 1.00 0.00 C ATOM 495 NZ LYS A 31 14.365 2.929 -5.076 1.00 0.00 N ATOM 0 H LYS A 31 8.686 3.038 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 31 9.182 2.336 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.257 1.497 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.038 1.128 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.849 3.098 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.130 3.329 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.911 0.983 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.669 0.819 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.674 1.374 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.684 2.820 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.844 3.493 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.984 3.562 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.046 2.272 -4.645 1.00 0.00 H new ATOM 509 N LEU A 32 10.356 5.139 -2.408 1.00 0.00 N ATOM 510 CA LEU A 32 10.948 6.381 -2.072 1.00 0.00 C ATOM 511 C LEU A 32 10.170 7.038 -0.939 1.00 0.00 C ATOM 512 O LEU A 32 10.749 7.543 0.028 1.00 0.00 O ATOM 513 CB LEU A 32 10.855 7.259 -3.286 1.00 0.00 C ATOM 514 CG LEU A 32 11.215 8.701 -3.071 1.00 0.00 C ATOM 515 CD1 LEU A 32 12.692 8.956 -3.287 1.00 0.00 C ATOM 516 CD2 LEU A 32 10.323 9.627 -3.865 1.00 0.00 C ATOM 0 H LEU A 32 9.946 5.124 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 32 11.981 6.236 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.507 6.851 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.836 7.211 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 32 11.027 8.932 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.907 10.012 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.271 8.353 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.962 8.687 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.616 10.661 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.422 9.405 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.286 9.484 -3.559 1.00 0.00 H new ATOM 528 N TYR A 33 8.862 7.010 -1.073 1.00 0.00 N ATOM 529 CA TYR A 33 7.966 7.662 -0.156 1.00 0.00 C ATOM 530 C TYR A 33 7.945 7.002 1.232 1.00 0.00 C ATOM 531 O TYR A 33 7.670 7.665 2.224 1.00 0.00 O ATOM 532 CB TYR A 33 6.542 7.722 -0.748 1.00 0.00 C ATOM 533 CG TYR A 33 5.513 8.348 0.178 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.458 9.720 0.356 1.00 0.00 C ATOM 535 CD2 TYR A 33 4.604 7.559 0.879 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.533 10.289 1.206 1.00 0.00 C ATOM 537 CE2 TYR A 33 3.675 8.120 1.729 1.00 0.00 C ATOM 538 CZ TYR A 33 3.642 9.484 1.889 1.00 0.00 C ATOM 539 OH TYR A 33 2.710 10.054 2.736 1.00 0.00 O ATOM 0 H TYR A 33 8.388 6.525 -1.835 1.00 0.00 H new ATOM 0 HA TYR A 33 8.342 8.675 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.570 8.289 -1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.222 6.711 -1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.150 10.354 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.628 6.487 0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.505 11.361 1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.979 7.492 2.265 1.00 0.00 H new ATOM 0 HH TYR A 33 2.159 9.350 3.137 1.00 0.00 H new ATOM 549 N LEU A 34 8.230 5.721 1.313 1.00 0.00 N ATOM 550 CA LEU A 34 8.129 5.060 2.600 1.00 0.00 C ATOM 551 C LEU A 34 9.396 4.357 3.074 1.00 0.00 C ATOM 552 O LEU A 34 9.708 4.364 4.267 1.00 0.00 O ATOM 553 CB LEU A 34 6.898 4.135 2.629 1.00 0.00 C ATOM 554 CG LEU A 34 6.759 3.064 1.526 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.644 1.848 1.760 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.320 2.659 1.390 1.00 0.00 C ATOM 0 H LEU A 34 8.524 5.131 0.534 1.00 0.00 H new ATOM 0 HA LEU A 34 7.996 5.856 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.890 3.623 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.009 4.764 2.595 1.00 0.00 H new ATOM 0 HG LEU A 34 7.103 3.513 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.500 1.132 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.688 2.158 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.378 1.381 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.227 1.903 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.966 2.250 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.720 3.530 1.124 1.00 0.00 H new ATOM 568 N GLY A 35 10.149 3.807 2.164 1.00 0.00 N ATOM 569 CA GLY A 35 11.251 2.989 2.564 1.00 0.00 C ATOM 570 C GLY A 35 12.526 3.757 2.795 1.00 0.00 C ATOM 571 O GLY A 35 13.436 3.266 3.458 1.00 0.00 O ATOM 0 H GLY A 35 10.021 3.909 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.985 2.460 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.427 2.233 1.799 1.00 0.00 H new ATOM 575 N THR A 36 12.608 4.949 2.265 1.00 0.00 N ATOM 576 CA THR A 36 13.806 5.742 2.422 1.00 0.00 C ATOM 577 C THR A 36 13.443 7.200 2.740 1.00 0.00 C ATOM 578 O THR A 36 14.279 8.111 2.654 1.00 0.00 O ATOM 579 CB THR A 36 14.707 5.630 1.142 1.00 0.00 C ATOM 580 OG1 THR A 36 15.976 6.281 1.329 1.00 0.00 O ATOM 581 CG2 THR A 36 14.010 6.215 -0.078 1.00 0.00 C ATOM 0 H THR A 36 11.866 5.393 1.723 1.00 0.00 H new ATOM 0 HA THR A 36 14.382 5.356 3.263 1.00 0.00 H new ATOM 0 HB THR A 36 14.882 4.567 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.870 7.032 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.660 6.122 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.081 5.675 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.789 7.268 0.099 1.00 0.00 H new ATOM 589 N ALA A 37 12.219 7.401 3.168 1.00 0.00 N ATOM 590 CA ALA A 37 11.738 8.724 3.452 1.00 0.00 C ATOM 591 C ALA A 37 12.085 9.132 4.865 1.00 0.00 C ATOM 592 O ALA A 37 11.948 8.338 5.808 1.00 0.00 O ATOM 593 CB ALA A 37 10.253 8.792 3.248 1.00 0.00 C ATOM 0 H ALA A 37 11.538 6.658 3.327 1.00 0.00 H new ATOM 0 HA ALA A 37 12.224 9.417 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.901 9.800 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.016 8.541 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.761 8.084 3.915 1.00 0.00 H new ATOM 599 N THR A 38 12.478 10.373 5.016 1.00 0.00 N ATOM 600 CA THR A 38 12.864 10.923 6.290 1.00 0.00 C ATOM 601 C THR A 38 11.621 11.130 7.179 1.00 0.00 C ATOM 602 O THR A 38 11.707 11.176 8.406 1.00 0.00 O ATOM 603 CB THR A 38 13.633 12.249 6.065 1.00 0.00 C ATOM 604 OG1 THR A 38 14.659 12.020 5.061 1.00 0.00 O ATOM 605 CG2 THR A 38 14.302 12.723 7.351 1.00 0.00 C ATOM 0 H THR A 38 12.539 11.038 4.245 1.00 0.00 H new ATOM 0 HA THR A 38 13.524 10.228 6.808 1.00 0.00 H new ATOM 0 HB THR A 38 12.927 13.014 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.155 12.851 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.834 13.655 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.544 12.887 8.117 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.007 11.966 7.695 1.00 0.00 H new ATOM 613 N GLU A 39 10.459 11.169 6.551 1.00 0.00 N ATOM 614 CA GLU A 39 9.201 11.320 7.275 1.00 0.00 C ATOM 615 C GLU A 39 8.768 9.994 7.916 1.00 0.00 C ATOM 616 O GLU A 39 7.796 9.925 8.655 1.00 0.00 O ATOM 617 CB GLU A 39 8.102 11.925 6.395 1.00 0.00 C ATOM 618 CG GLU A 39 7.705 11.115 5.177 1.00 0.00 C ATOM 619 CD GLU A 39 6.685 11.846 4.349 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.545 12.019 4.815 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.027 12.327 3.252 1.00 0.00 O ATOM 0 H GLU A 39 10.356 11.098 5.539 1.00 0.00 H new ATOM 0 HA GLU A 39 9.371 12.030 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.215 12.078 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.432 12.909 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.587 10.907 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.300 10.153 5.492 1.00 0.00 H new ATOM 628 N LEU A 40 9.514 8.949 7.619 1.00 0.00 N ATOM 629 CA LEU A 40 9.330 7.643 8.234 1.00 0.00 C ATOM 630 C LEU A 40 10.422 7.417 9.261 1.00 0.00 C ATOM 631 O LEU A 40 10.676 6.289 9.724 1.00 0.00 O ATOM 632 CB LEU A 40 9.359 6.534 7.194 1.00 0.00 C ATOM 633 CG LEU A 40 8.019 6.153 6.521 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.007 5.672 7.550 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.438 7.296 5.706 1.00 0.00 C ATOM 0 H LEU A 40 10.273 8.979 6.938 1.00 0.00 H new ATOM 0 HA LEU A 40 8.354 7.621 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.058 6.825 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.765 5.640 7.667 1.00 0.00 H new ATOM 0 HG LEU A 40 8.236 5.336 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.075 5.411 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.400 4.795 8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.820 6.465 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.498 6.979 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.257 8.152 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.141 7.578 4.922 1.00 0.00 H new ATOM 647 N GLY A 41 11.085 8.488 9.572 1.00 0.00 N ATOM 648 CA GLY A 41 12.125 8.509 10.556 1.00 0.00 C ATOM 649 C GLY A 41 13.417 7.976 10.014 1.00 0.00 C ATOM 650 O GLY A 41 14.292 8.729 9.603 1.00 0.00 O ATOM 0 H GLY A 41 10.914 9.395 9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.272 9.530 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.821 7.916 11.419 1.00 0.00 H new ATOM 654 N GLU A 42 13.520 6.682 9.987 1.00 0.00 N ATOM 655 CA GLU A 42 14.730 6.014 9.547 1.00 0.00 C ATOM 656 C GLU A 42 14.665 5.682 8.082 1.00 0.00 C ATOM 657 O GLU A 42 15.663 5.779 7.364 1.00 0.00 O ATOM 658 CB GLU A 42 14.878 4.688 10.270 1.00 0.00 C ATOM 659 CG GLU A 42 15.019 4.754 11.763 1.00 0.00 C ATOM 660 CD GLU A 42 14.901 3.380 12.347 1.00 0.00 C ATOM 661 OE1 GLU A 42 15.886 2.617 12.336 1.00 0.00 O ATOM 662 OE2 GLU A 42 13.779 3.003 12.766 1.00 0.00 O ATOM 0 H GLU A 42 12.772 6.049 10.268 1.00 0.00 H new ATOM 0 HA GLU A 42 15.560 6.689 9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.010 4.072 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.751 4.175 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.983 5.189 12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.250 5.404 12.181 1.00 0.00 H new ATOM 669 N GLY A 43 13.485 5.335 7.638 1.00 0.00 N ATOM 670 CA GLY A 43 13.368 4.683 6.374 1.00 0.00 C ATOM 671 C GLY A 43 13.566 3.215 6.663 1.00 0.00 C ATOM 672 O GLY A 43 14.677 2.709 6.619 1.00 0.00 O ATOM 0 H GLY A 43 12.606 5.493 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.392 4.867 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.116 5.050 5.671 1.00 0.00 H new ATOM 676 N LYS A 44 12.477 2.564 7.012 1.00 0.00 N ATOM 677 CA LYS A 44 12.480 1.201 7.564 1.00 0.00 C ATOM 678 C LYS A 44 13.142 0.138 6.702 1.00 0.00 C ATOM 679 O LYS A 44 13.722 -0.814 7.231 1.00 0.00 O ATOM 680 CB LYS A 44 11.061 0.766 7.960 1.00 0.00 C ATOM 681 CG LYS A 44 10.628 1.201 9.363 1.00 0.00 C ATOM 682 CD LYS A 44 10.792 2.695 9.589 1.00 0.00 C ATOM 683 CE LYS A 44 10.405 3.095 10.993 1.00 0.00 C ATOM 684 NZ LYS A 44 11.209 2.417 12.043 1.00 0.00 N ATOM 0 H LYS A 44 11.542 2.963 6.924 1.00 0.00 H new ATOM 0 HA LYS A 44 13.113 1.273 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.355 1.171 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.997 -0.320 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.585 0.926 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.215 0.659 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.828 2.979 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.177 3.241 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.518 4.174 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.351 2.868 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.928 2.773 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.044 1.391 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.219 2.612 11.887 1.00 0.00 H new ATOM 698 N ILE A 45 13.093 0.298 5.414 1.00 0.00 N ATOM 699 CA ILE A 45 13.596 -0.727 4.531 1.00 0.00 C ATOM 700 C ILE A 45 15.089 -0.495 4.289 1.00 0.00 C ATOM 701 O ILE A 45 15.521 0.660 4.160 1.00 0.00 O ATOM 702 CB ILE A 45 12.872 -0.712 3.160 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.334 -0.585 3.309 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.218 -1.980 2.384 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.657 -1.736 4.009 1.00 0.00 C ATOM 0 H ILE A 45 12.713 1.121 4.947 1.00 0.00 H new ATOM 0 HA ILE A 45 13.419 -1.691 5.007 1.00 0.00 H new ATOM 0 HB ILE A 45 13.217 0.166 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.113 0.332 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.897 -0.477 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.708 -1.968 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.295 -2.026 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.898 -2.853 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.584 -1.550 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.839 -2.657 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.058 -1.835 5.018 1.00 0.00 H new ATOM 717 N PRO A 46 15.916 -1.563 4.288 1.00 0.00 N ATOM 718 CA PRO A 46 17.324 -1.446 3.963 1.00 0.00 C ATOM 719 C PRO A 46 17.553 -0.924 2.528 1.00 0.00 C ATOM 720 O PRO A 46 16.760 -1.189 1.607 1.00 0.00 O ATOM 721 CB PRO A 46 17.882 -2.861 4.133 1.00 0.00 C ATOM 722 CG PRO A 46 16.695 -3.753 4.140 1.00 0.00 C ATOM 723 CD PRO A 46 15.551 -2.943 4.663 1.00 0.00 C ATOM 0 HA PRO A 46 17.822 -0.722 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.561 -3.116 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.448 -2.952 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.482 -4.121 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.871 -4.626 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.605 -3.245 4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.441 -3.051 5.742 1.00 0.00 H new ATOM 731 N TRP A 47 18.671 -0.249 2.386 1.00 0.00 N ATOM 732 CA TRP A 47 19.135 0.514 1.215 1.00 0.00 C ATOM 733 C TRP A 47 18.829 -0.089 -0.166 1.00 0.00 C ATOM 734 O TRP A 47 18.458 0.650 -1.088 1.00 0.00 O ATOM 735 CB TRP A 47 20.654 0.735 1.337 1.00 0.00 C ATOM 736 CG TRP A 47 21.079 1.496 2.568 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.418 2.816 2.632 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.209 0.983 3.912 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.751 3.153 3.921 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.625 2.051 4.724 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.008 -0.272 4.503 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.848 1.906 6.087 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.227 -0.412 5.854 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.640 0.671 6.634 1.00 0.00 C ATOM 0 H TRP A 47 19.350 -0.207 3.146 1.00 0.00 H new ATOM 0 HA TRP A 47 18.563 1.442 1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.151 -0.235 1.336 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.002 1.272 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.424 3.496 1.793 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.046 4.079 4.231 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.687 -1.114 3.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.174 2.739 6.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.077 -1.375 6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.798 0.529 7.693 1.00 0.00 H new ATOM 755 N GLY A 48 18.952 -1.390 -0.324 1.00 0.00 N ATOM 756 CA GLY A 48 18.842 -1.940 -1.657 1.00 0.00 C ATOM 757 C GLY A 48 17.849 -3.066 -1.796 1.00 0.00 C ATOM 758 O GLY A 48 17.841 -3.758 -2.813 1.00 0.00 O ATOM 0 H GLY A 48 19.122 -2.064 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.562 -1.140 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.823 -2.299 -1.969 1.00 0.00 H new ATOM 762 N SER A 49 16.982 -3.240 -0.828 1.00 0.00 N ATOM 763 CA SER A 49 16.056 -4.350 -0.886 1.00 0.00 C ATOM 764 C SER A 49 14.822 -4.050 -1.757 1.00 0.00 C ATOM 765 O SER A 49 14.199 -4.957 -2.294 1.00 0.00 O ATOM 766 CB SER A 49 15.663 -4.759 0.520 1.00 0.00 C ATOM 767 OG SER A 49 16.830 -5.055 1.274 1.00 0.00 O ATOM 0 H SER A 49 16.896 -2.642 -0.006 1.00 0.00 H new ATOM 0 HA SER A 49 16.563 -5.185 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.102 -3.957 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.009 -5.630 0.487 1.00 0.00 H new ATOM 0 HG SER A 49 16.636 -5.778 1.907 1.00 0.00 H new ATOM 773 N MET A 50 14.508 -2.782 -1.944 1.00 0.00 N ATOM 774 CA MET A 50 13.304 -2.413 -2.694 1.00 0.00 C ATOM 775 C MET A 50 13.622 -2.264 -4.175 1.00 0.00 C ATOM 776 O MET A 50 12.736 -2.324 -5.018 1.00 0.00 O ATOM 777 CB MET A 50 12.720 -1.097 -2.174 1.00 0.00 C ATOM 778 CG MET A 50 12.426 -1.082 -0.706 1.00 0.00 C ATOM 779 SD MET A 50 11.934 0.545 -0.082 1.00 0.00 S ATOM 780 CE MET A 50 13.433 1.499 -0.353 1.00 0.00 C ATOM 0 H MET A 50 15.055 -1.995 -1.596 1.00 0.00 H new ATOM 0 HA MET A 50 12.572 -3.209 -2.557 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.418 -0.291 -2.400 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.800 -0.883 -2.718 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.632 -1.798 -0.496 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.310 -1.418 -0.163 1.00 0.00 H new ATOM 0 HE1 MET A 50 13.428 2.376 0.294 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.303 0.883 -0.124 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.478 1.817 -1.394 1.00 0.00 H new ATOM 790 N GLU A 51 14.902 -2.116 -4.480 1.00 0.00 N ATOM 791 CA GLU A 51 15.387 -1.856 -5.843 1.00 0.00 C ATOM 792 C GLU A 51 14.900 -2.866 -6.870 1.00 0.00 C ATOM 793 O GLU A 51 14.490 -2.501 -7.970 1.00 0.00 O ATOM 794 CB GLU A 51 16.895 -1.835 -5.882 1.00 0.00 C ATOM 795 CG GLU A 51 17.538 -0.781 -5.006 1.00 0.00 C ATOM 796 CD GLU A 51 16.945 0.583 -5.215 1.00 0.00 C ATOM 797 OE1 GLU A 51 17.338 1.281 -6.161 1.00 0.00 O ATOM 798 OE2 GLU A 51 16.058 0.972 -4.432 1.00 0.00 O ATOM 0 H GLU A 51 15.648 -2.172 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 51 14.976 -0.882 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.266 -2.814 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.216 -1.677 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.426 -1.066 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.607 -0.744 -5.214 1.00 0.00 H new ATOM 805 N LYS A 52 14.983 -4.117 -6.535 1.00 0.00 N ATOM 806 CA LYS A 52 14.559 -5.160 -7.451 1.00 0.00 C ATOM 807 C LYS A 52 13.289 -5.797 -6.969 1.00 0.00 C ATOM 808 O LYS A 52 12.868 -6.825 -7.495 1.00 0.00 O ATOM 809 CB LYS A 52 15.629 -6.233 -7.599 1.00 0.00 C ATOM 810 CG LYS A 52 16.952 -5.738 -8.146 1.00 0.00 C ATOM 811 CD LYS A 52 17.926 -6.884 -8.372 1.00 0.00 C ATOM 812 CE LYS A 52 18.235 -7.647 -7.088 1.00 0.00 C ATOM 813 NZ LYS A 52 19.165 -8.760 -7.333 1.00 0.00 N ATOM 0 H LYS A 52 15.338 -4.452 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 52 14.391 -4.694 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.803 -6.690 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.250 -7.016 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.784 -5.211 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.388 -5.020 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.509 -7.571 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.853 -6.492 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.666 -6.966 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.309 -8.032 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.354 -9.258 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.743 -9.422 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.057 -8.389 -7.718 1.00 0.00 H new ATOM 827 N ALA A 53 12.668 -5.191 -6.005 1.00 0.00 N ATOM 828 CA ALA A 53 11.481 -5.769 -5.421 1.00 0.00 C ATOM 829 C ALA A 53 10.260 -5.476 -6.266 1.00 0.00 C ATOM 830 O ALA A 53 10.097 -4.363 -6.779 1.00 0.00 O ATOM 831 CB ALA A 53 11.284 -5.293 -3.992 1.00 0.00 C ATOM 0 H ALA A 53 12.956 -4.299 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 53 11.617 -6.850 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.382 -5.745 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.145 -5.584 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.184 -4.208 -3.981 1.00 0.00 H new ATOM 837 N GLY A 54 9.453 -6.484 -6.455 1.00 0.00 N ATOM 838 CA GLY A 54 8.240 -6.376 -7.163 1.00 0.00 C ATOM 839 C GLY A 54 7.097 -6.289 -6.204 1.00 0.00 C ATOM 840 O GLY A 54 7.325 -6.280 -5.014 1.00 0.00 O ATOM 0 H GLY A 54 9.641 -7.423 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.259 -5.492 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.113 -7.239 -7.817 1.00 0.00 H new ATOM 844 N PRO A 55 5.866 -6.292 -6.696 1.00 0.00 N ATOM 845 CA PRO A 55 4.642 -6.158 -5.877 1.00 0.00 C ATOM 846 C PRO A 55 4.607 -7.118 -4.688 1.00 0.00 C ATOM 847 O PRO A 55 4.333 -6.715 -3.561 1.00 0.00 O ATOM 848 CB PRO A 55 3.533 -6.517 -6.852 1.00 0.00 C ATOM 849 CG PRO A 55 4.085 -6.206 -8.196 1.00 0.00 C ATOM 850 CD PRO A 55 5.562 -6.439 -8.117 1.00 0.00 C ATOM 0 HA PRO A 55 4.564 -5.162 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.262 -7.570 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.630 -5.939 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.633 -6.842 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.870 -5.174 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.830 -7.430 -8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.113 -5.717 -8.720 1.00 0.00 H new ATOM 858 N LEU A 56 4.945 -8.365 -4.949 1.00 0.00 N ATOM 859 CA LEU A 56 4.923 -9.415 -3.931 1.00 0.00 C ATOM 860 C LEU A 56 6.029 -9.187 -2.915 1.00 0.00 C ATOM 861 O LEU A 56 5.813 -9.252 -1.706 1.00 0.00 O ATOM 862 CB LEU A 56 5.110 -10.774 -4.606 1.00 0.00 C ATOM 863 CG LEU A 56 5.137 -12.002 -3.702 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.801 -12.194 -3.004 1.00 0.00 C ATOM 865 CD2 LEU A 56 5.509 -13.225 -4.516 1.00 0.00 C ATOM 0 H LEU A 56 5.244 -8.686 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 56 3.965 -9.392 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.306 -10.905 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.044 -10.747 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 56 5.890 -11.854 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.847 -13.076 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.579 -11.317 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.017 -12.326 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.528 -14.101 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.773 -13.374 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.494 -13.081 -4.960 1.00 0.00 H new ATOM 877 N GLU A 57 7.194 -8.884 -3.421 1.00 0.00 N ATOM 878 CA GLU A 57 8.375 -8.678 -2.610 1.00 0.00 C ATOM 879 C GLU A 57 8.216 -7.422 -1.762 1.00 0.00 C ATOM 880 O GLU A 57 8.524 -7.424 -0.579 1.00 0.00 O ATOM 881 CB GLU A 57 9.583 -8.599 -3.524 1.00 0.00 C ATOM 882 CG GLU A 57 9.685 -9.820 -4.420 1.00 0.00 C ATOM 883 CD GLU A 57 10.765 -9.729 -5.448 1.00 0.00 C ATOM 884 OE1 GLU A 57 10.614 -8.947 -6.398 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.770 -10.480 -5.350 1.00 0.00 O ATOM 0 H GLU A 57 7.357 -8.771 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 57 8.516 -9.511 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.518 -7.701 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.489 -8.510 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.860 -10.699 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.730 -9.970 -4.923 1.00 0.00 H new ATOM 892 N MET A 58 7.675 -6.380 -2.372 1.00 0.00 N ATOM 893 CA MET A 58 7.366 -5.126 -1.695 1.00 0.00 C ATOM 894 C MET A 58 6.383 -5.379 -0.583 1.00 0.00 C ATOM 895 O MET A 58 6.554 -4.893 0.523 1.00 0.00 O ATOM 896 CB MET A 58 6.773 -4.114 -2.676 1.00 0.00 C ATOM 897 CG MET A 58 7.759 -3.558 -3.689 1.00 0.00 C ATOM 898 SD MET A 58 8.978 -2.461 -2.957 1.00 0.00 S ATOM 899 CE MET A 58 9.677 -1.750 -4.436 1.00 0.00 C ATOM 0 H MET A 58 7.434 -6.379 -3.363 1.00 0.00 H new ATOM 0 HA MET A 58 8.290 -4.718 -1.286 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.951 -4.587 -3.212 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.349 -3.285 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.272 -4.385 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.211 -3.019 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.763 -1.722 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.399 -2.356 -5.298 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.297 -0.737 -4.567 1.00 0.00 H new ATOM 909 N ALA A 59 5.374 -6.181 -0.878 1.00 0.00 N ATOM 910 CA ALA A 59 4.365 -6.544 0.094 1.00 0.00 C ATOM 911 C ALA A 59 5.004 -7.202 1.313 1.00 0.00 C ATOM 912 O ALA A 59 4.657 -6.893 2.455 1.00 0.00 O ATOM 913 CB ALA A 59 3.325 -7.465 -0.534 1.00 0.00 C ATOM 0 H ALA A 59 5.234 -6.597 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 59 3.862 -5.635 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.574 -7.728 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.844 -6.955 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.812 -8.371 -0.894 1.00 0.00 H new ATOM 919 N GLN A 60 5.968 -8.074 1.061 1.00 0.00 N ATOM 920 CA GLN A 60 6.667 -8.758 2.131 1.00 0.00 C ATOM 921 C GLN A 60 7.585 -7.788 2.884 1.00 0.00 C ATOM 922 O GLN A 60 7.718 -7.870 4.098 1.00 0.00 O ATOM 923 CB GLN A 60 7.447 -9.969 1.609 1.00 0.00 C ATOM 924 CG GLN A 60 6.570 -10.987 0.895 1.00 0.00 C ATOM 925 CD GLN A 60 7.313 -12.262 0.533 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.908 -12.379 -0.551 1.00 0.00 O ATOM 927 NE2 GLN A 60 7.298 -13.229 1.426 1.00 0.00 N ATOM 0 H GLN A 60 6.282 -8.323 0.123 1.00 0.00 H new ATOM 0 HA GLN A 60 5.921 -9.133 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.223 -9.625 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.951 -10.456 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.721 -11.236 1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.167 -10.538 -0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.800 -13.102 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.784 -14.105 1.237 1.00 0.00 H new ATOM 936 N LEU A 61 8.198 -6.873 2.162 1.00 0.00 N ATOM 937 CA LEU A 61 9.049 -5.840 2.756 1.00 0.00 C ATOM 938 C LEU A 61 8.249 -4.950 3.708 1.00 0.00 C ATOM 939 O LEU A 61 8.603 -4.812 4.882 1.00 0.00 O ATOM 940 CB LEU A 61 9.788 -5.023 1.655 1.00 0.00 C ATOM 941 CG LEU A 61 11.203 -5.509 1.273 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.233 -6.989 0.922 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.727 -4.692 0.117 1.00 0.00 C ATOM 0 H LEU A 61 8.126 -6.817 1.146 1.00 0.00 H new ATOM 0 HA LEU A 61 9.818 -6.330 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.172 -5.026 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.861 -3.988 1.989 1.00 0.00 H new ATOM 0 HG LEU A 61 11.843 -5.373 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.250 -7.280 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.897 -7.573 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.573 -7.175 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.726 -5.038 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.063 -4.806 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.772 -3.642 0.405 1.00 0.00 H new ATOM 955 N LEU A 62 7.142 -4.414 3.229 1.00 0.00 N ATOM 956 CA LEU A 62 6.274 -3.579 4.045 1.00 0.00 C ATOM 957 C LEU A 62 5.739 -4.354 5.253 1.00 0.00 C ATOM 958 O LEU A 62 5.750 -3.847 6.373 1.00 0.00 O ATOM 959 CB LEU A 62 5.088 -3.025 3.230 1.00 0.00 C ATOM 960 CG LEU A 62 5.306 -1.840 2.252 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.548 -2.008 1.428 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.092 -1.760 1.352 1.00 0.00 C ATOM 0 H LEU A 62 6.819 -4.543 2.270 1.00 0.00 H new ATOM 0 HA LEU A 62 6.880 -2.743 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.678 -3.852 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.319 -2.722 3.941 1.00 0.00 H new ATOM 0 HG LEU A 62 5.434 -0.922 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.659 -1.155 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.415 -2.069 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.474 -2.923 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.213 -0.935 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.986 -2.694 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.201 -1.594 1.957 1.00 0.00 H new ATOM 974 N ILE A 63 5.300 -5.592 5.023 1.00 0.00 N ATOM 975 CA ILE A 63 4.710 -6.416 6.083 1.00 0.00 C ATOM 976 C ILE A 63 5.743 -6.722 7.203 1.00 0.00 C ATOM 977 O ILE A 63 5.406 -6.718 8.380 1.00 0.00 O ATOM 978 CB ILE A 63 4.061 -7.739 5.477 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.790 -8.158 6.234 1.00 0.00 C ATOM 980 CG2 ILE A 63 5.038 -8.914 5.415 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.998 -8.636 7.662 1.00 0.00 C ATOM 0 H ILE A 63 5.341 -6.048 4.112 1.00 0.00 H new ATOM 0 HA ILE A 63 3.905 -5.848 6.550 1.00 0.00 H new ATOM 0 HB ILE A 63 3.791 -7.480 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.104 -7.311 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.301 -8.954 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.535 -9.784 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.889 -8.647 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.388 -9.149 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.037 -8.905 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.653 -9.507 7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.453 -7.839 8.250 1.00 0.00 H new ATOM 993 N THR A 64 6.999 -6.897 6.828 1.00 0.00 N ATOM 994 CA THR A 64 8.038 -7.251 7.783 1.00 0.00 C ATOM 995 C THR A 64 8.423 -6.058 8.678 1.00 0.00 C ATOM 996 O THR A 64 8.742 -6.222 9.866 1.00 0.00 O ATOM 997 CB THR A 64 9.295 -7.780 7.045 1.00 0.00 C ATOM 998 OG1 THR A 64 8.921 -8.877 6.198 1.00 0.00 O ATOM 999 CG2 THR A 64 10.362 -8.255 8.026 1.00 0.00 C ATOM 0 H THR A 64 7.325 -6.800 5.867 1.00 0.00 H new ATOM 0 HA THR A 64 7.636 -8.036 8.423 1.00 0.00 H new ATOM 0 HB THR A 64 9.709 -6.962 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.465 -8.534 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.228 -8.619 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.662 -7.426 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.959 -9.060 8.640 1.00 0.00 H new ATOM 1007 N HIS A 65 8.374 -4.874 8.127 1.00 0.00 N ATOM 1008 CA HIS A 65 8.803 -3.712 8.869 1.00 0.00 C ATOM 1009 C HIS A 65 7.630 -2.984 9.508 1.00 0.00 C ATOM 1010 O HIS A 65 7.605 -2.779 10.718 1.00 0.00 O ATOM 1011 CB HIS A 65 9.638 -2.769 7.990 1.00 0.00 C ATOM 1012 CG HIS A 65 10.905 -3.398 7.461 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.122 -4.097 6.317 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.112 -3.372 8.118 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.451 -4.506 6.270 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.001 -4.041 7.378 1.00 0.00 N flip ATOM 0 H HIS A 65 8.046 -4.687 7.179 1.00 0.00 H new ATOM 0 HA HIS A 65 9.442 -4.062 9.680 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.029 -2.436 7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.897 -1.882 8.568 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.420 -4.292 5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.308 -2.894 9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.931 -5.082 5.493 1.00 0.00 H new ATOM 1024 N PHE A 66 6.669 -2.608 8.702 1.00 0.00 N ATOM 1025 CA PHE A 66 5.509 -1.876 9.168 1.00 0.00 C ATOM 1026 C PHE A 66 4.554 -2.745 9.973 1.00 0.00 C ATOM 1027 O PHE A 66 4.234 -2.426 11.125 1.00 0.00 O ATOM 1028 CB PHE A 66 4.802 -1.224 7.980 1.00 0.00 C ATOM 1029 CG PHE A 66 5.688 -0.265 7.275 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.821 1.026 7.729 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.418 -0.669 6.183 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.676 1.901 7.098 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.265 0.192 5.542 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.398 1.477 6.000 1.00 0.00 C ATOM 0 H PHE A 66 6.665 -2.800 7.700 1.00 0.00 H new ATOM 0 HA PHE A 66 5.855 -1.099 9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.473 -1.995 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.908 -0.706 8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.251 1.355 8.585 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.321 -1.683 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.781 2.913 7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.826 -0.138 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.069 2.160 5.501 1.00 0.00 H new ATOM 1044 N GLY A 67 4.113 -3.822 9.385 1.00 0.00 N ATOM 1045 CA GLY A 67 3.161 -4.696 10.027 1.00 0.00 C ATOM 1046 C GLY A 67 2.134 -5.152 9.025 1.00 0.00 C ATOM 1047 O GLY A 67 2.159 -4.674 7.903 1.00 0.00 O ATOM 0 H GLY A 67 4.399 -4.121 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.674 -5.558 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.673 -4.175 10.851 1.00 0.00 H new ATOM 1051 N PRO A 68 1.205 -6.046 9.395 1.00 0.00 N ATOM 1052 CA PRO A 68 0.219 -6.613 8.457 1.00 0.00 C ATOM 1053 C PRO A 68 -0.695 -5.568 7.802 1.00 0.00 C ATOM 1054 O PRO A 68 -0.689 -5.401 6.580 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.592 -7.605 9.312 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.316 -7.225 10.732 1.00 0.00 C ATOM 1057 CD PRO A 68 1.048 -6.593 10.753 1.00 0.00 C ATOM 0 HA PRO A 68 0.721 -7.080 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.657 -7.538 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.289 -8.633 9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.070 -6.530 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.347 -8.101 11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.114 -5.811 11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.824 -7.324 10.982 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.443 -4.855 8.604 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.386 -3.880 8.086 1.00 0.00 C ATOM 1067 C GLU A 69 -1.676 -2.554 7.872 1.00 0.00 C ATOM 1068 O GLU A 69 -2.110 -1.723 7.082 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.561 -3.728 9.048 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.278 -5.042 9.333 1.00 0.00 C ATOM 1071 CD GLU A 69 -5.283 -4.923 10.441 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -4.877 -4.951 11.626 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -6.500 -4.812 10.169 1.00 0.00 O ATOM 0 H GLU A 69 -1.422 -4.927 9.621 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.779 -4.221 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.201 -3.307 9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.273 -3.016 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.780 -5.381 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.543 -5.803 9.594 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.567 -2.384 8.577 1.00 0.00 N ATOM 1081 CA GLU A 70 0.272 -1.206 8.468 1.00 0.00 C ATOM 1082 C GLU A 70 0.846 -1.138 7.051 1.00 0.00 C ATOM 1083 O GLU A 70 0.816 -0.101 6.415 1.00 0.00 O ATOM 1084 CB GLU A 70 1.401 -1.306 9.477 1.00 0.00 C ATOM 1085 CG GLU A 70 2.080 0.008 9.777 1.00 0.00 C ATOM 1086 CD GLU A 70 1.197 0.919 10.566 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.187 0.806 11.804 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.517 1.763 9.981 1.00 0.00 O ATOM 0 H GLU A 70 -0.223 -3.070 9.248 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.311 -0.307 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.008 -1.719 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.145 -2.010 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.001 -0.176 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.362 0.494 8.843 1.00 0.00 H new ATOM 1095 N ALA A 71 1.346 -2.277 6.572 1.00 0.00 N ATOM 1096 CA ALA A 71 1.853 -2.431 5.204 1.00 0.00 C ATOM 1097 C ALA A 71 0.800 -1.994 4.191 1.00 0.00 C ATOM 1098 O ALA A 71 1.083 -1.205 3.283 1.00 0.00 O ATOM 1099 CB ALA A 71 2.196 -3.887 4.969 1.00 0.00 C ATOM 0 H ALA A 71 1.412 -3.130 7.128 1.00 0.00 H new ATOM 0 HA ALA A 71 2.738 -1.807 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.574 -4.013 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.959 -4.201 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.303 -4.497 5.101 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.412 -2.495 4.372 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.526 -2.156 3.508 1.00 0.00 C ATOM 1107 C TRP A 72 -1.826 -0.657 3.560 1.00 0.00 C ATOM 1108 O TRP A 72 -1.948 0.010 2.517 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.770 -3.004 3.868 1.00 0.00 C ATOM 1110 CG TRP A 72 -4.031 -2.573 3.170 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.253 -2.373 3.744 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.183 -2.240 1.782 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.148 -1.952 2.796 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.510 -1.861 1.593 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.318 -2.228 0.685 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.994 -1.475 0.368 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.805 -1.842 -0.540 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.133 -1.469 -0.687 1.00 0.00 C ATOM 0 H TRP A 72 -0.648 -3.146 5.121 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.250 -2.392 2.480 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.569 -4.047 3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.929 -2.956 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.480 -2.524 4.789 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.132 -1.741 2.962 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.284 -2.517 0.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -7.027 -1.185 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.148 -1.829 -1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.492 -1.167 -1.660 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.902 -0.143 4.760 1.00 0.00 N ATOM 1130 CA ARG A 73 -2.156 1.263 5.014 1.00 0.00 C ATOM 1131 C ARG A 73 -1.104 2.131 4.315 1.00 0.00 C ATOM 1132 O ARG A 73 -1.441 3.102 3.631 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.129 1.490 6.515 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.251 2.917 6.987 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.075 2.945 8.484 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.133 4.283 9.044 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.722 4.596 10.273 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.992 3.735 10.987 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -1.956 5.795 10.747 1.00 0.00 N ATOM 0 H ARG A 73 -1.788 -0.696 5.609 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.132 1.544 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.940 0.914 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.196 1.082 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.497 3.540 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.224 3.324 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.849 2.332 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.116 2.493 8.739 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.512 5.030 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.744 2.828 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.683 3.985 11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.450 6.482 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.645 6.042 11.686 1.00 0.00 H new ATOM 1153 N LEU A 74 0.150 1.744 4.475 1.00 0.00 N ATOM 1154 CA LEU A 74 1.278 2.412 3.848 1.00 0.00 C ATOM 1155 C LEU A 74 1.110 2.477 2.345 1.00 0.00 C ATOM 1156 O LEU A 74 1.229 3.539 1.761 1.00 0.00 O ATOM 1157 CB LEU A 74 2.603 1.709 4.212 1.00 0.00 C ATOM 1158 CG LEU A 74 3.447 2.321 5.352 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.072 3.643 4.926 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.625 2.520 6.617 1.00 0.00 C ATOM 0 H LEU A 74 0.417 0.946 5.052 1.00 0.00 H new ATOM 0 HA LEU A 74 1.312 3.433 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.374 0.678 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.223 1.675 3.316 1.00 0.00 H new ATOM 0 HG LEU A 74 4.244 1.611 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.660 4.049 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.719 3.479 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.285 4.348 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.254 2.952 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.793 3.192 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.239 1.558 6.955 1.00 0.00 H new ATOM 1172 N ALA A 75 0.762 1.359 1.732 1.00 0.00 N ATOM 1173 CA ALA A 75 0.633 1.308 0.287 1.00 0.00 C ATOM 1174 C ALA A 75 -0.509 2.156 -0.209 1.00 0.00 C ATOM 1175 O ALA A 75 -0.324 2.950 -1.129 1.00 0.00 O ATOM 1176 CB ALA A 75 0.475 -0.096 -0.204 1.00 0.00 C ATOM 0 H ALA A 75 0.565 0.479 2.209 1.00 0.00 H new ATOM 0 HA ALA A 75 1.560 1.715 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.381 -0.093 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.348 -0.682 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.419 -0.537 0.236 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.681 2.031 0.415 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.844 2.783 -0.041 1.00 0.00 C ATOM 1184 C LEU A 76 -2.614 4.278 0.112 1.00 0.00 C ATOM 1185 O LEU A 76 -2.944 5.059 -0.774 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.171 2.288 0.615 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.381 2.490 2.135 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.845 3.900 2.472 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.349 1.472 2.684 1.00 0.00 C ATOM 0 H LEU A 76 -1.846 1.428 1.221 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.970 2.591 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.996 2.782 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.261 1.221 0.410 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.411 2.345 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.978 3.991 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.098 4.619 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.792 4.101 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.480 1.635 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.310 1.576 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.957 0.469 2.515 1.00 0.00 H new ATOM 1201 N SER A 77 -1.955 4.652 1.191 1.00 0.00 N ATOM 1202 CA SER A 77 -1.673 6.026 1.459 1.00 0.00 C ATOM 1203 C SER A 77 -0.483 6.509 0.596 1.00 0.00 C ATOM 1204 O SER A 77 -0.172 7.680 0.546 1.00 0.00 O ATOM 1205 CB SER A 77 -1.428 6.229 2.960 1.00 0.00 C ATOM 1206 OG SER A 77 -1.478 7.609 3.311 1.00 0.00 O ATOM 0 H SER A 77 -1.606 4.005 1.898 1.00 0.00 H new ATOM 0 HA SER A 77 -2.534 6.636 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.177 5.679 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.456 5.818 3.231 1.00 0.00 H new ATOM 0 HG SER A 77 -2.115 8.072 2.728 1.00 0.00 H new ATOM 1212 N THR A 78 0.164 5.603 -0.087 1.00 0.00 N ATOM 1213 CA THR A 78 1.191 5.982 -1.008 1.00 0.00 C ATOM 1214 C THR A 78 0.579 6.155 -2.400 1.00 0.00 C ATOM 1215 O THR A 78 0.987 7.040 -3.155 1.00 0.00 O ATOM 1216 CB THR A 78 2.353 4.965 -1.025 1.00 0.00 C ATOM 1217 OG1 THR A 78 2.910 4.875 0.286 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.446 5.396 -1.980 1.00 0.00 C ATOM 0 H THR A 78 -0.005 4.599 -0.020 1.00 0.00 H new ATOM 0 HA THR A 78 1.619 6.931 -0.684 1.00 0.00 H new ATOM 0 HB THR A 78 1.960 4.002 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.412 4.212 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.250 4.660 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.039 5.474 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.838 6.365 -1.671 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.458 5.350 -2.702 1.00 0.00 N ATOM 1227 CA PHE A 79 -1.159 5.415 -3.990 1.00 0.00 C ATOM 1228 C PHE A 79 -1.697 6.825 -4.233 1.00 0.00 C ATOM 1229 O PHE A 79 -1.635 7.347 -5.338 1.00 0.00 O ATOM 1230 CB PHE A 79 -2.335 4.414 -4.062 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.968 2.961 -3.945 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.760 2.485 -4.421 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.839 2.072 -3.339 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.431 1.158 -4.298 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.513 0.738 -3.211 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.306 0.279 -3.691 1.00 0.00 C ATOM 0 H PHE A 79 -0.827 4.645 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.433 5.151 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.042 4.655 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.856 4.562 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.068 3.165 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.786 2.428 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.515 0.800 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.202 0.055 -2.736 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.045 -0.764 -3.593 1.00 0.00 H new ATOM 1246 N GLU A 80 -2.194 7.438 -3.183 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.725 8.786 -3.259 1.00 0.00 C ATOM 1248 C GLU A 80 -1.603 9.829 -3.505 1.00 0.00 C ATOM 1249 O GLU A 80 -1.801 10.794 -4.234 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.536 9.115 -2.001 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.751 8.952 -0.719 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.503 9.368 0.508 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.171 10.422 0.467 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.385 8.696 1.557 1.00 0.00 O ATOM 0 H GLU A 80 -2.243 7.021 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.397 8.837 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.897 10.141 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.414 8.470 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.455 7.908 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.835 9.538 -0.788 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.415 9.599 -2.929 1.00 0.00 N ATOM 1262 CA ARG A 81 0.730 10.511 -3.101 1.00 0.00 C ATOM 1263 C ARG A 81 1.338 10.393 -4.488 1.00 0.00 C ATOM 1264 O ARG A 81 1.752 11.381 -5.075 1.00 0.00 O ATOM 1265 CB ARG A 81 1.831 10.258 -2.057 1.00 0.00 C ATOM 1266 CG ARG A 81 1.652 10.919 -0.688 1.00 0.00 C ATOM 1267 CD ARG A 81 0.360 10.552 -0.007 1.00 0.00 C ATOM 1268 NE ARG A 81 0.355 10.879 1.428 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.659 11.460 2.074 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -1.587 12.134 1.396 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.704 11.433 3.404 1.00 0.00 N ATOM 0 H ARG A 81 -0.219 8.790 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 81 0.334 11.517 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.914 9.182 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.779 10.595 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.485 10.636 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.695 12.002 -0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.463 11.073 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.180 9.484 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 81 1.187 10.645 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.524 12.207 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.360 12.577 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.036 10.968 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.479 11.877 3.897 1.00 0.00 H new ATOM 1285 N ILE A 82 1.367 9.184 -5.020 1.00 0.00 N ATOM 1286 CA ILE A 82 1.983 8.933 -6.330 1.00 0.00 C ATOM 1287 C ILE A 82 0.968 9.101 -7.467 1.00 0.00 C ATOM 1288 O ILE A 82 1.205 8.684 -8.606 1.00 0.00 O ATOM 1289 CB ILE A 82 2.653 7.529 -6.402 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.627 6.400 -6.217 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.738 7.429 -5.334 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.182 5.021 -6.473 1.00 0.00 C ATOM 0 H ILE A 82 0.974 8.355 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 82 2.766 9.680 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 82 3.095 7.413 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.236 6.441 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.786 6.573 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.208 6.447 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.490 8.200 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.293 7.569 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.398 4.279 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.547 4.960 -7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.004 4.826 -5.784 1.00 0.00 H new ATOM 1304 N ASN A 83 -0.134 9.749 -7.124 1.00 0.00 N ATOM 1305 CA ASN A 83 -1.255 10.067 -8.017 1.00 0.00 C ATOM 1306 C ASN A 83 -1.819 8.830 -8.709 1.00 0.00 C ATOM 1307 O ASN A 83 -1.718 8.643 -9.922 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.926 11.180 -9.031 1.00 0.00 C ATOM 1309 CG ASN A 83 -2.175 11.744 -9.715 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.775 12.706 -9.230 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -2.568 11.182 -10.820 1.00 0.00 N ATOM 0 H ASN A 83 -0.286 10.086 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.038 10.460 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.400 11.987 -8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.248 10.787 -9.789 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.391 11.536 -11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.053 10.387 -11.199 1.00 0.00 H new ATOM 1318 N ARG A 84 -2.318 7.958 -7.916 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.993 6.777 -8.359 1.00 0.00 C ATOM 1320 C ARG A 84 -4.090 6.595 -7.325 1.00 0.00 C ATOM 1321 O ARG A 84 -4.215 5.539 -6.691 1.00 0.00 O ATOM 1322 CB ARG A 84 -2.014 5.570 -8.333 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.297 4.428 -9.344 1.00 0.00 C ATOM 1324 CD ARG A 84 -3.727 3.915 -9.307 1.00 0.00 C ATOM 1325 NE ARG A 84 -3.922 2.701 -10.124 1.00 0.00 N ATOM 1326 CZ ARG A 84 -4.653 2.619 -11.260 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -5.218 3.702 -11.783 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -4.848 1.445 -11.840 1.00 0.00 N ATOM 0 H ARG A 84 -2.271 8.041 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.376 6.849 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.006 5.944 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.021 5.146 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.074 4.783 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.618 3.599 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.004 3.701 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.398 4.697 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.465 1.847 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.103 4.608 -11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.767 3.628 -12.640 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.447 0.601 -11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.399 1.384 -12.696 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.923 7.643 -7.176 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.914 7.707 -6.137 1.00 0.00 C ATOM 1344 C LYS A 85 -6.967 6.669 -6.380 1.00 0.00 C ATOM 1345 O LYS A 85 -7.690 6.299 -5.496 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.561 9.112 -6.073 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.814 9.354 -6.967 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.507 9.371 -8.457 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.778 9.527 -9.300 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.606 8.295 -9.332 1.00 0.00 N ATOM 0 H LYS A 85 -4.910 8.461 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.426 7.514 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.840 9.310 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.803 9.847 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.549 8.575 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.271 10.304 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.822 10.190 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.999 8.447 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.373 10.348 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.501 9.799 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.491 8.485 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.082 7.537 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.826 7.999 -8.360 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.984 6.194 -7.605 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.928 5.233 -8.092 1.00 0.00 C ATOM 1366 C ASP A 86 -7.849 4.011 -7.229 1.00 0.00 C ATOM 1367 O ASP A 86 -8.821 3.579 -6.645 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.562 4.823 -9.518 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.032 5.963 -10.333 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.810 6.816 -10.762 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -5.791 6.050 -10.500 1.00 0.00 O ATOM 0 H ASP A 86 -6.309 6.484 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.928 5.667 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.815 4.030 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.443 4.410 -10.010 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.630 3.540 -7.067 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.348 2.317 -6.355 1.00 0.00 C ATOM 1378 C LEU A 87 -6.406 2.581 -4.841 1.00 0.00 C ATOM 1379 O LEU A 87 -6.570 1.670 -4.049 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.967 1.834 -6.777 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.558 0.430 -6.412 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -5.505 -0.577 -7.042 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -3.146 0.184 -6.892 1.00 0.00 C ATOM 0 H LEU A 87 -5.798 4.004 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.085 1.549 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.899 1.929 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.232 2.516 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.602 0.312 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.197 -1.586 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.518 -0.398 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.480 -0.471 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.844 -0.830 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.103 0.308 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.471 0.897 -6.418 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.277 3.843 -4.473 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.418 4.288 -3.096 1.00 0.00 C ATOM 1397 C TRP A 88 -7.896 4.215 -2.685 1.00 0.00 C ATOM 1398 O TRP A 88 -8.229 3.735 -1.595 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.852 5.711 -2.963 1.00 0.00 C ATOM 1400 CG TRP A 88 -6.234 6.429 -1.715 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.792 6.190 -0.454 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -7.140 7.528 -1.625 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -6.380 7.063 0.417 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -7.209 7.899 -0.276 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.903 8.233 -2.562 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -8.013 8.943 0.170 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.697 9.269 -2.122 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.746 9.615 -0.769 1.00 0.00 C ATOM 0 H TRP A 88 -6.069 4.597 -5.128 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.855 3.640 -2.424 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.765 5.659 -3.015 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.185 6.299 -3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -5.082 5.424 -0.180 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.225 7.087 1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.870 7.970 -3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.057 9.212 1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.291 9.823 -2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.378 10.433 -0.457 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.771 4.672 -3.581 1.00 0.00 N ATOM 1420 CA GLU A 89 -10.222 4.588 -3.405 1.00 0.00 C ATOM 1421 C GLU A 89 -10.624 3.121 -3.389 1.00 0.00 C ATOM 1422 O GLU A 89 -11.464 2.688 -2.600 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.933 5.257 -4.576 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.640 6.730 -4.778 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.248 7.237 -6.062 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.429 7.650 -6.058 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.577 7.200 -7.110 1.00 0.00 O ATOM 0 H GLU A 89 -8.491 5.114 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.498 5.084 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.666 4.725 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.008 5.136 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.033 7.300 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.562 6.890 -4.795 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.994 2.361 -4.282 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.196 0.918 -4.403 1.00 0.00 C ATOM 1436 C ARG A 90 -9.703 0.197 -3.174 1.00 0.00 C ATOM 1437 O ARG A 90 -10.097 -0.932 -2.923 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.431 0.373 -5.615 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.938 0.835 -6.974 1.00 0.00 C ATOM 1440 CD ARG A 90 -11.143 0.053 -7.434 1.00 0.00 C ATOM 1441 NE ARG A 90 -12.295 0.138 -6.519 1.00 0.00 N ATOM 1442 CZ ARG A 90 -13.217 -0.824 -6.359 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -13.176 -1.921 -7.120 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -14.171 -0.680 -5.446 1.00 0.00 N ATOM 0 H ARG A 90 -9.320 2.734 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.266 0.748 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.384 0.661 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.466 -0.716 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.193 1.894 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.140 0.734 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.445 0.414 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.862 -0.993 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.399 0.990 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.444 -2.027 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.877 -2.652 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.202 0.160 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.873 -1.410 -5.322 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.830 0.853 -2.438 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.218 0.279 -1.284 1.00 0.00 C ATOM 1460 C GLY A 91 -9.145 0.167 -0.106 1.00 0.00 C ATOM 1461 O GLY A 91 -10.002 -0.722 -0.069 1.00 0.00 O ATOM 0 H GLY A 91 -8.530 1.808 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.843 -0.713 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.356 0.883 -1.001 1.00 0.00 H new ATOM 1465 N GLN A 92 -8.959 1.063 0.860 1.00 0.00 N ATOM 1466 CA GLN A 92 -9.745 1.100 2.100 1.00 0.00 C ATOM 1467 C GLN A 92 -9.589 -0.198 2.924 1.00 0.00 C ATOM 1468 O GLN A 92 -8.813 -1.098 2.575 1.00 0.00 O ATOM 1469 CB GLN A 92 -11.230 1.378 1.803 1.00 0.00 C ATOM 1470 CG GLN A 92 -11.488 2.716 1.130 1.00 0.00 C ATOM 1471 CD GLN A 92 -12.939 2.915 0.759 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -13.658 1.962 0.468 1.00 0.00 O ATOM 1473 NE2 GLN A 92 -13.382 4.142 0.769 1.00 0.00 N ATOM 0 H GLN A 92 -8.250 1.795 0.807 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.352 1.919 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.617 0.583 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.790 1.339 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.175 3.519 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.875 2.790 0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.756 4.908 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.355 4.335 0.530 1.00 0.00 H new ATOM 1482 N ARG A 93 -10.260 -0.245 4.041 1.00 0.00 N ATOM 1483 CA ARG A 93 -10.295 -1.423 4.885 1.00 0.00 C ATOM 1484 C ARG A 93 -11.606 -1.488 5.644 1.00 0.00 C ATOM 1485 O ARG A 93 -12.189 -2.573 5.787 1.00 0.00 O ATOM 1486 CB ARG A 93 -9.082 -1.474 5.830 1.00 0.00 C ATOM 1487 CG ARG A 93 -8.784 -0.163 6.528 1.00 0.00 C ATOM 1488 CD ARG A 93 -7.592 -0.280 7.432 1.00 0.00 C ATOM 1489 NE ARG A 93 -7.138 1.035 7.909 1.00 0.00 N ATOM 1490 CZ ARG A 93 -6.386 1.256 9.007 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -6.096 0.265 9.844 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -5.951 2.478 9.274 1.00 0.00 N ATOM 0 H ARG A 93 -10.806 0.538 4.401 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.233 -2.305 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.254 -2.243 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.204 -1.777 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.603 0.613 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.653 0.147 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.843 -0.909 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.779 -0.774 6.900 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.416 1.850 7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.443 -0.676 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.526 0.446 10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.185 3.250 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.382 2.647 10.104 1.00 0.00 H new ATOM 1506 N GLU A 94 -12.073 -0.307 6.107 1.00 0.00 N ATOM 1507 CA GLU A 94 -13.343 -0.142 6.836 1.00 0.00 C ATOM 1508 C GLU A 94 -13.395 -1.088 8.022 1.00 0.00 C ATOM 1509 O GLU A 94 -14.413 -1.722 8.312 1.00 0.00 O ATOM 1510 CB GLU A 94 -14.525 -0.347 5.896 1.00 0.00 C ATOM 1511 CG GLU A 94 -14.500 0.593 4.703 1.00 0.00 C ATOM 1512 CD GLU A 94 -15.666 0.395 3.788 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -15.621 -0.516 2.931 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -16.652 1.150 3.896 1.00 0.00 O ATOM 0 H GLU A 94 -11.567 0.570 5.981 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.404 0.875 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.526 -1.377 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.453 -0.200 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.493 1.624 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.576 0.441 4.145 1.00 0.00 H new ATOM 1521 N ASP A 95 -12.300 -1.131 8.718 1.00 0.00 N ATOM 1522 CA ASP A 95 -12.099 -2.023 9.831 1.00 0.00 C ATOM 1523 C ASP A 95 -12.808 -1.510 11.069 1.00 0.00 C ATOM 1524 O ASP A 95 -13.232 -0.351 11.134 1.00 0.00 O ATOM 1525 CB ASP A 95 -10.598 -2.199 10.096 1.00 0.00 C ATOM 1526 CG ASP A 95 -9.900 -0.916 10.526 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -9.986 0.115 9.792 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -9.205 -0.936 11.558 1.00 0.00 O ATOM 0 H ASP A 95 -11.497 -0.532 8.526 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.527 -2.994 9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.460 -2.954 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.120 -2.577 9.192 1.00 0.00 H new ATOM 1533 N LEU A 96 -12.956 -2.369 12.028 1.00 0.00 N ATOM 1534 CA LEU A 96 -13.643 -2.051 13.251 1.00 0.00 C ATOM 1535 C LEU A 96 -12.659 -1.464 14.247 1.00 0.00 C ATOM 1536 O LEU A 96 -11.482 -1.848 14.255 1.00 0.00 O ATOM 1537 CB LEU A 96 -14.254 -3.340 13.828 1.00 0.00 C ATOM 1538 CG LEU A 96 -15.050 -3.211 15.131 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -16.304 -2.386 14.918 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -15.394 -4.583 15.689 1.00 0.00 C ATOM 0 H LEU A 96 -12.601 -3.324 11.988 1.00 0.00 H new ATOM 0 HA LEU A 96 -14.431 -1.324 13.055 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -14.910 -3.772 13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.446 -4.053 13.994 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.426 -2.694 15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.852 -2.308 15.857 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.029 -1.389 14.575 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.933 -2.867 14.169 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.959 -4.468 16.614 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.994 -5.131 14.963 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.476 -5.134 15.891 1.00 0.00 H new ATOM 1552 N VAL A 97 -13.114 -0.519 15.063 1.00 0.00 N ATOM 1553 CA VAL A 97 -12.280 -0.021 16.125 1.00 0.00 C ATOM 1554 C VAL A 97 -12.200 -1.109 17.165 1.00 0.00 C ATOM 1555 O VAL A 97 -13.195 -1.459 17.814 1.00 0.00 O ATOM 1556 CB VAL A 97 -12.783 1.305 16.749 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -11.858 1.737 17.882 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -12.847 2.395 15.687 1.00 0.00 C ATOM 0 H VAL A 97 -14.040 -0.096 15.004 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.300 0.223 15.716 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.783 1.144 17.151 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.221 2.670 18.313 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.840 0.965 18.651 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.851 1.885 17.493 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -13.202 3.322 16.138 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.854 2.553 15.267 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.532 2.092 14.895 1.00 0.00 H new ATOM 1568 N ARG A 98 -11.052 -1.650 17.283 1.00 0.00 N ATOM 1569 CA ARG A 98 -10.821 -2.812 18.065 1.00 0.00 C ATOM 1570 C ARG A 98 -10.831 -2.559 19.551 1.00 0.00 C ATOM 1571 O ARG A 98 -10.360 -1.519 20.025 1.00 0.00 O ATOM 1572 CB ARG A 98 -9.565 -3.478 17.591 1.00 0.00 C ATOM 1573 CG ARG A 98 -9.718 -3.976 16.183 1.00 0.00 C ATOM 1574 CD ARG A 98 -8.450 -4.528 15.642 1.00 0.00 C ATOM 1575 NE ARG A 98 -8.668 -5.101 14.325 1.00 0.00 N ATOM 1576 CZ ARG A 98 -7.827 -5.037 13.316 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -6.690 -4.372 13.441 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -8.118 -5.633 12.175 1.00 0.00 N ATOM 0 H ARG A 98 -10.215 -1.290 16.825 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.660 -3.492 17.916 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.734 -2.774 17.643 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.320 -4.311 18.250 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.489 -4.746 16.154 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.058 -3.160 15.546 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.699 -3.740 15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.060 -5.290 16.317 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.547 -5.594 14.170 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.465 -3.908 14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.039 -4.323 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.995 -6.143 12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.465 -5.583 11.393 1.00 0.00 H new ATOM 1592 N ASP A 99 -11.375 -3.542 20.253 1.00 0.00 N ATOM 1593 CA ASP A 99 -11.605 -3.569 21.700 1.00 0.00 C ATOM 1594 C ASP A 99 -12.561 -4.712 22.015 1.00 0.00 C ATOM 1595 O ASP A 99 -12.330 -5.521 22.920 1.00 0.00 O ATOM 1596 CB ASP A 99 -12.252 -2.268 22.215 1.00 0.00 C ATOM 1597 CG ASP A 99 -12.545 -2.303 23.705 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -13.642 -2.723 24.095 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -11.684 -1.872 24.505 1.00 0.00 O ATOM 0 H ASP A 99 -11.690 -4.401 19.802 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.637 -3.691 22.186 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.590 -1.429 22.000 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.180 -2.090 21.671 1.00 0.00 H new ATOM 1604 N THR A 100 -13.620 -4.781 21.232 1.00 0.00 N ATOM 1605 CA THR A 100 -14.711 -5.701 21.465 1.00 0.00 C ATOM 1606 C THR A 100 -14.386 -7.168 21.081 1.00 0.00 C ATOM 1607 O THR A 100 -14.013 -7.963 21.934 1.00 0.00 O ATOM 1608 CB THR A 100 -15.968 -5.204 20.735 1.00 0.00 C ATOM 1609 OG1 THR A 100 -16.085 -3.789 20.952 1.00 0.00 O ATOM 1610 CG2 THR A 100 -17.219 -5.893 21.273 1.00 0.00 C ATOM 0 H THR A 100 -13.746 -4.193 20.408 1.00 0.00 H new ATOM 0 HA THR A 100 -14.888 -5.718 22.540 1.00 0.00 H new ATOM 0 HB THR A 100 -15.878 -5.432 19.673 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.882 -3.452 20.492 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.095 -5.524 20.740 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.132 -6.970 21.127 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.324 -5.678 22.336 1.00 0.00 H new ATOM 1618 N VAL A 101 -14.494 -7.517 19.809 1.00 0.00 N ATOM 1619 CA VAL A 101 -14.285 -8.911 19.404 1.00 0.00 C ATOM 1620 C VAL A 101 -12.852 -9.141 18.951 1.00 0.00 C ATOM 1621 O VAL A 101 -12.402 -10.272 18.783 1.00 0.00 O ATOM 1622 CB VAL A 101 -15.296 -9.375 18.313 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -16.724 -9.322 18.843 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -15.172 -8.538 17.049 1.00 0.00 C ATOM 0 H VAL A 101 -14.720 -6.876 19.049 1.00 0.00 H new ATOM 0 HA VAL A 101 -14.470 -9.524 20.286 1.00 0.00 H new ATOM 0 HB VAL A 101 -15.054 -10.407 18.059 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -17.413 -9.650 18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -16.815 -9.978 19.709 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -16.966 -8.300 19.135 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -15.891 -8.888 16.309 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -15.373 -7.493 17.284 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -14.163 -8.633 16.648 1.00 0.00 H new ATOM 1634 N GLU A 102 -12.155 -8.070 18.813 1.00 0.00 N ATOM 1635 CA GLU A 102 -10.793 -8.001 18.421 1.00 0.00 C ATOM 1636 C GLU A 102 -10.386 -6.645 18.855 1.00 0.00 C ATOM 1637 O GLU A 102 -11.310 -5.812 18.968 1.00 0.00 O ATOM 1638 CB GLU A 102 -10.606 -8.201 16.892 1.00 0.00 C ATOM 1639 CG GLU A 102 -11.539 -7.368 16.009 1.00 0.00 C ATOM 1640 CD GLU A 102 -11.219 -7.485 14.535 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -11.252 -8.602 13.991 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -10.906 -6.466 13.899 1.00 0.00 O ATOM 1643 OXT GLU A 102 -9.190 -6.394 19.132 1.00 0.00 O ATOM 0 H GLU A 102 -12.554 -7.147 18.985 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.188 -8.792 18.865 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.575 -7.960 16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.755 -9.255 16.658 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.568 -7.684 16.178 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.474 -6.322 16.307 1.00 0.00 H new TER 1650 GLU A 102