USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 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 24 THR OG1 : rot 170:sc= 0.692 USER MOD Set 1.2: A 33 THR OG1 : rot -123:sc= 0.774 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= -0.12 (180deg=-0.151) USER MOD Single : A 26 ASN : amide:sc= -0.225 K(o=-0.23,f=-3.7!) USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.0613 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0986 F(o=-1.4!,f=-0.099) USER MOD Single : A 40 THR OG1 : rot -81:sc= 0.0406 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 88:sc= 0.351! USER MOD Single : A 53 GLN : amide:sc= 0.238 K(o=0.24,f=-6.3!) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 0.279 (180deg=-0.112) USER MOD Single : A 57 THR OG1 : rot -140:sc= -1.93! USER MOD Single : A 59 GLN : amide:sc= 1.17 K(o=1.2,f=-0.6) USER MOD Single : A 60 GLN : amide:sc= 0.983 K(o=0.98,f=-0.12) USER MOD Single : A 69 THR OG1 : rot 78:sc= -0.788! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.15) USER MOD Single : A 79 CYS SG : rot 81:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= 2.47 K(o=2.5,f=-12!) USER MOD Single : A 86 SER OG : rot -90:sc= 1.18 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -11.848 2.651 -11.756 1.00 0.00 N ATOM 2 CA MET A 18 -12.385 1.492 -11.000 1.00 0.00 C ATOM 3 C MET A 18 -11.986 1.590 -9.533 1.00 0.00 C ATOM 4 O MET A 18 -10.806 1.704 -9.219 1.00 0.00 O ATOM 5 CB MET A 18 -11.873 0.171 -11.589 1.00 0.00 C ATOM 6 CG MET A 18 -12.386 -0.129 -12.992 1.00 0.00 C ATOM 7 SD MET A 18 -11.782 1.039 -14.228 1.00 0.00 S ATOM 8 CE MET A 18 -12.586 0.420 -15.705 1.00 0.00 C ATOM 0 HA MET A 18 -13.472 1.510 -11.079 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.783 0.194 -11.610 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.162 -0.645 -10.927 1.00 0.00 H new ATOM 0 HG2 MET A 18 -12.085 -1.137 -13.275 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.476 -0.112 -12.986 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.309 1.041 -16.557 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.271 -0.608 -15.887 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.667 0.450 -15.570 1.00 0.00 H new ATOM 18 N ALA A 19 -12.968 1.549 -8.641 1.00 0.00 N ATOM 19 CA ALA A 19 -12.684 1.678 -7.217 1.00 0.00 C ATOM 20 C ALA A 19 -12.166 0.364 -6.642 1.00 0.00 C ATOM 21 O ALA A 19 -12.753 -0.695 -6.871 1.00 0.00 O ATOM 22 CB ALA A 19 -13.928 2.133 -6.467 1.00 0.00 C ATOM 0 H ALA A 19 -13.954 1.429 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.906 2.431 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.700 2.225 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.252 3.099 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.724 1.401 -6.605 1.00 0.00 H new ATOM 28 N LEU A 20 -11.065 0.439 -5.907 1.00 0.00 N ATOM 29 CA LEU A 20 -10.469 -0.745 -5.308 1.00 0.00 C ATOM 30 C LEU A 20 -10.341 -0.533 -3.804 1.00 0.00 C ATOM 31 O LEU A 20 -10.253 0.605 -3.350 1.00 0.00 O ATOM 32 CB LEU A 20 -9.092 -1.006 -5.928 1.00 0.00 C ATOM 33 CG LEU A 20 -8.484 -2.375 -5.629 1.00 0.00 C ATOM 34 CD1 LEU A 20 -9.303 -3.477 -6.285 1.00 0.00 C ATOM 35 CD2 LEU A 20 -7.041 -2.427 -6.106 1.00 0.00 C ATOM 0 H LEU A 20 -10.567 1.308 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.103 -1.611 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.172 -0.892 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.403 -0.238 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.499 -2.533 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.855 -4.445 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.322 -3.451 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.319 -3.325 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.620 -3.408 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.007 -2.250 -7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.460 -1.660 -5.593 1.00 0.00 H new ATOM 47 N LYS A 21 -10.362 -1.607 -3.029 1.00 0.00 N ATOM 48 CA LYS A 21 -10.248 -1.481 -1.588 1.00 0.00 C ATOM 49 C LYS A 21 -8.880 -1.929 -1.098 1.00 0.00 C ATOM 50 O LYS A 21 -8.564 -3.121 -1.091 1.00 0.00 O ATOM 51 CB LYS A 21 -11.339 -2.299 -0.912 1.00 0.00 C ATOM 52 CG LYS A 21 -12.731 -1.891 -1.347 1.00 0.00 C ATOM 53 CD LYS A 21 -13.776 -2.861 -0.849 1.00 0.00 C ATOM 54 CE LYS A 21 -13.625 -4.229 -1.490 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.615 -4.157 -2.979 1.00 0.00 N ATOM 0 H LYS A 21 -10.456 -2.564 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.367 -0.429 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.188 -3.355 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.254 -2.188 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.952 -0.892 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.772 -1.838 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.697 -2.956 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.769 -2.467 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.700 -4.690 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.442 -4.873 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.613 -5.119 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.462 -3.650 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.764 -3.651 -3.296 1.00 0.00 H new ATOM 69 N CYS A 22 -8.075 -0.970 -0.686 1.00 0.00 N ATOM 70 CA CYS A 22 -6.778 -1.290 -0.128 1.00 0.00 C ATOM 71 C CYS A 22 -6.793 -0.956 1.355 1.00 0.00 C ATOM 72 O CYS A 22 -7.568 -0.105 1.797 1.00 0.00 O ATOM 73 CB CYS A 22 -5.671 -0.500 -0.839 1.00 0.00 C ATOM 74 SG CYS A 22 -5.791 -0.488 -2.662 1.00 0.00 S ATOM 0 H CYS A 22 -8.293 0.026 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.573 -2.351 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.691 0.529 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.705 -0.918 -0.555 1.00 0.00 H new ATOM 79 N PHE A 23 -5.966 -1.641 2.129 1.00 0.00 N ATOM 80 CA PHE A 23 -5.866 -1.340 3.546 1.00 0.00 C ATOM 81 C PHE A 23 -5.176 -0.002 3.751 1.00 0.00 C ATOM 82 O PHE A 23 -4.193 0.305 3.079 1.00 0.00 O ATOM 83 CB PHE A 23 -5.088 -2.430 4.284 1.00 0.00 C ATOM 84 CG PHE A 23 -5.776 -3.762 4.320 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.971 -3.918 5.002 1.00 0.00 C ATOM 86 CD2 PHE A 23 -5.223 -4.859 3.682 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.603 -5.145 5.047 1.00 0.00 C ATOM 88 CE2 PHE A 23 -5.850 -6.089 3.727 1.00 0.00 C ATOM 89 CZ PHE A 23 -7.041 -6.232 4.408 1.00 0.00 C ATOM 0 H PHE A 23 -5.363 -2.398 1.806 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.877 -1.295 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.114 -2.550 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.905 -2.101 5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.414 -3.071 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.293 -4.752 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.535 -5.254 5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.408 -6.939 3.229 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.533 -7.193 4.441 1.00 0.00 H new ATOM 99 N THR A 24 -5.698 0.795 4.659 1.00 0.00 N ATOM 100 CA THR A 24 -5.065 2.054 4.992 1.00 0.00 C ATOM 101 C THR A 24 -4.606 2.048 6.443 1.00 0.00 C ATOM 102 O THR A 24 -5.253 1.443 7.302 1.00 0.00 O ATOM 103 CB THR A 24 -6.017 3.238 4.739 1.00 0.00 C ATOM 104 OG1 THR A 24 -7.358 2.872 5.092 1.00 0.00 O ATOM 105 CG2 THR A 24 -5.966 3.671 3.280 1.00 0.00 C ATOM 0 H THR A 24 -6.554 0.596 5.177 1.00 0.00 H new ATOM 0 HA THR A 24 -4.195 2.175 4.347 1.00 0.00 H new ATOM 0 HB THR A 24 -5.696 4.075 5.359 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.928 3.669 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.646 4.508 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.951 3.976 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.264 2.838 2.643 1.00 0.00 H new ATOM 113 N ARG A 25 -3.477 2.686 6.712 1.00 0.00 N ATOM 114 CA ARG A 25 -2.969 2.757 8.072 1.00 0.00 C ATOM 115 C ARG A 25 -3.665 3.906 8.801 1.00 0.00 C ATOM 116 O ARG A 25 -3.438 5.074 8.488 1.00 0.00 O ATOM 117 CB ARG A 25 -1.448 2.976 8.052 1.00 0.00 C ATOM 118 CG ARG A 25 -0.728 2.448 9.285 1.00 0.00 C ATOM 119 CD ARG A 25 -0.590 0.930 9.246 1.00 0.00 C ATOM 120 NE ARG A 25 -0.157 0.385 10.535 1.00 0.00 N ATOM 121 CZ ARG A 25 -0.314 -0.889 10.898 1.00 0.00 C ATOM 122 NH1 ARG A 25 -0.805 -1.774 10.036 1.00 0.00 N ATOM 123 NH2 ARG A 25 -0.002 -1.272 12.133 1.00 0.00 N ATOM 0 H ARG A 25 -2.901 3.157 6.014 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.173 1.822 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.034 2.492 7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.247 4.043 7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.260 2.902 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.276 2.741 10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.546 0.486 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.128 0.651 8.475 1.00 0.00 H new ATOM 0 HE ARG A 25 0.292 1.019 11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.063 -1.480 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.924 -2.747 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.357 -0.592 12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.122 -2.246 12.411 1.00 0.00 H new ATOM 137 N ASN A 26 -4.519 3.569 9.759 1.00 0.00 N ATOM 138 CA ASN A 26 -5.313 4.577 10.458 1.00 0.00 C ATOM 139 C ASN A 26 -5.175 4.390 11.961 1.00 0.00 C ATOM 140 O ASN A 26 -5.571 3.357 12.502 1.00 0.00 O ATOM 141 CB ASN A 26 -6.785 4.470 10.044 1.00 0.00 C ATOM 142 CG ASN A 26 -7.626 5.652 10.502 1.00 0.00 C ATOM 143 OD1 ASN A 26 -7.334 6.303 11.504 1.00 0.00 O ATOM 144 ND2 ASN A 26 -8.689 5.933 9.764 1.00 0.00 N ATOM 0 H ASN A 26 -4.681 2.611 10.070 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.947 5.568 10.189 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.845 4.389 8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.205 3.553 10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.296 6.711 10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.900 5.371 8.939 1.00 0.00 H new ATOM 151 N GLY A 27 -4.615 5.391 12.634 1.00 0.00 N ATOM 152 CA GLY A 27 -4.265 5.229 14.030 1.00 0.00 C ATOM 153 C GLY A 27 -3.083 4.299 14.160 1.00 0.00 C ATOM 154 O GLY A 27 -1.956 4.738 14.387 1.00 0.00 O ATOM 0 H GLY A 27 -4.399 6.306 12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.026 6.198 14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.115 4.830 14.583 1.00 0.00 H new ATOM 158 N ASP A 28 -3.352 3.015 14.000 1.00 0.00 N ATOM 159 CA ASP A 28 -2.291 2.050 13.801 1.00 0.00 C ATOM 160 C ASP A 28 -2.719 1.032 12.756 1.00 0.00 C ATOM 161 O ASP A 28 -2.476 1.233 11.573 1.00 0.00 O ATOM 162 CB ASP A 28 -1.884 1.341 15.096 1.00 0.00 C ATOM 163 CG ASP A 28 -0.836 0.268 14.843 1.00 0.00 C ATOM 164 OD1 ASP A 28 0.147 0.543 14.115 1.00 0.00 O ATOM 165 OD2 ASP A 28 -1.013 -0.862 15.339 1.00 0.00 O ATOM 0 H ASP A 28 -4.292 2.620 14.004 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.414 2.596 13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.493 2.072 15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.763 0.890 15.556 1.00 0.00 H new ATOM 170 N ASP A 29 -3.428 -0.010 13.185 1.00 0.00 N ATOM 171 CA ASP A 29 -3.705 -1.153 12.311 1.00 0.00 C ATOM 172 C ASP A 29 -4.533 -0.771 11.075 1.00 0.00 C ATOM 173 O ASP A 29 -4.999 0.363 10.929 1.00 0.00 O ATOM 174 CB ASP A 29 -4.394 -2.279 13.091 1.00 0.00 C ATOM 175 CG ASP A 29 -4.204 -3.630 12.421 1.00 0.00 C ATOM 176 OD1 ASP A 29 -3.168 -4.279 12.665 1.00 0.00 O ATOM 177 OD2 ASP A 29 -5.068 -4.028 11.613 1.00 0.00 O ATOM 0 H ASP A 29 -3.819 -0.089 14.124 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.740 -1.508 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.994 -2.317 14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.459 -2.063 13.177 1.00 0.00 H new ATOM 182 N ARG A 30 -4.723 -1.748 10.198 1.00 0.00 N ATOM 183 CA ARG A 30 -5.251 -1.492 8.869 1.00 0.00 C ATOM 184 C ARG A 30 -6.769 -1.344 8.865 1.00 0.00 C ATOM 185 O ARG A 30 -7.489 -2.101 9.514 1.00 0.00 O ATOM 186 CB ARG A 30 -4.836 -2.620 7.921 1.00 0.00 C ATOM 187 CG ARG A 30 -5.441 -3.974 8.265 1.00 0.00 C ATOM 188 CD ARG A 30 -4.377 -5.053 8.372 1.00 0.00 C ATOM 189 NE ARG A 30 -3.536 -4.876 9.553 1.00 0.00 N ATOM 190 CZ ARG A 30 -2.205 -4.866 9.528 1.00 0.00 C ATOM 191 NH1 ARG A 30 -1.561 -4.962 8.375 1.00 0.00 N ATOM 192 NH2 ARG A 30 -1.518 -4.741 10.655 1.00 0.00 N ATOM 0 H ARG A 30 -4.517 -2.729 10.387 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.832 -0.545 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.126 -2.352 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.749 -2.707 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.982 -3.902 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.167 -4.253 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.856 -6.032 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.754 -5.038 7.478 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.998 -4.752 10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.085 -5.044 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.541 -4.954 8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.009 -4.652 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.498 -4.734 10.633 1.00 0.00 H new ATOM 206 N THR A 31 -7.242 -0.351 8.135 1.00 0.00 N ATOM 207 CA THR A 31 -8.664 -0.162 7.938 1.00 0.00 C ATOM 208 C THR A 31 -9.047 -0.530 6.504 1.00 0.00 C ATOM 209 O THR A 31 -8.377 -0.121 5.553 1.00 0.00 O ATOM 210 CB THR A 31 -9.060 1.300 8.222 1.00 0.00 C ATOM 211 OG1 THR A 31 -8.565 1.692 9.508 1.00 0.00 O ATOM 212 CG2 THR A 31 -10.572 1.478 8.185 1.00 0.00 C ATOM 0 H THR A 31 -6.656 0.340 7.667 1.00 0.00 H new ATOM 0 HA THR A 31 -9.198 -0.811 8.632 1.00 0.00 H new ATOM 0 HB THR A 31 -8.621 1.928 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.064 2.473 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.821 2.519 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.947 1.202 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.032 0.840 8.940 1.00 0.00 H new ATOM 220 N VAL A 32 -10.101 -1.327 6.350 1.00 0.00 N ATOM 221 CA VAL A 32 -10.591 -1.660 5.018 1.00 0.00 C ATOM 222 C VAL A 32 -11.292 -0.456 4.414 1.00 0.00 C ATOM 223 O VAL A 32 -12.385 -0.085 4.842 1.00 0.00 O ATOM 224 CB VAL A 32 -11.575 -2.851 5.031 1.00 0.00 C ATOM 225 CG1 VAL A 32 -12.122 -3.113 3.634 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.912 -4.100 5.576 1.00 0.00 C ATOM 0 H VAL A 32 -10.624 -1.748 7.118 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.724 -1.945 4.422 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.405 -2.590 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.813 -3.956 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.647 -2.227 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.299 -3.344 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.628 -4.922 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.058 -4.361 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.573 -3.917 6.596 1.00 0.00 H new ATOM 236 N THR A 33 -10.661 0.164 3.439 1.00 0.00 N ATOM 237 CA THR A 33 -11.261 1.315 2.804 1.00 0.00 C ATOM 238 C THR A 33 -11.389 1.122 1.308 1.00 0.00 C ATOM 239 O THR A 33 -10.465 0.650 0.648 1.00 0.00 O ATOM 240 CB THR A 33 -10.453 2.595 3.067 1.00 0.00 C ATOM 241 OG1 THR A 33 -9.058 2.358 2.814 1.00 0.00 O ATOM 242 CG2 THR A 33 -10.638 3.073 4.497 1.00 0.00 C ATOM 0 H THR A 33 -9.747 -0.105 3.074 1.00 0.00 H new ATOM 0 HA THR A 33 -12.254 1.420 3.242 1.00 0.00 H new ATOM 0 HB THR A 33 -10.819 3.370 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.539 2.567 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.055 3.980 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.692 3.283 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.299 2.299 5.186 1.00 0.00 H new ATOM 250 N THR A 34 -12.549 1.469 0.787 1.00 0.00 N ATOM 251 CA THR A 34 -12.724 1.528 -0.644 1.00 0.00 C ATOM 252 C THR A 34 -12.133 2.835 -1.154 1.00 0.00 C ATOM 253 O THR A 34 -12.611 3.922 -0.831 1.00 0.00 O ATOM 254 CB THR A 34 -14.212 1.395 -1.030 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.415 1.739 -2.406 1.00 0.00 O ATOM 256 CG2 THR A 34 -15.084 2.260 -0.136 1.00 0.00 C ATOM 0 H THR A 34 -13.377 1.712 1.331 1.00 0.00 H new ATOM 0 HA THR A 34 -12.203 0.691 -1.109 1.00 0.00 H new ATOM 0 HB THR A 34 -14.501 0.354 -0.888 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.365 1.646 -2.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.128 2.149 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.963 1.949 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.788 3.304 -0.239 1.00 0.00 H new ATOM 264 N CYS A 35 -11.074 2.720 -1.923 1.00 0.00 N ATOM 265 CA CYS A 35 -10.294 3.871 -2.323 1.00 0.00 C ATOM 266 C CYS A 35 -10.862 4.479 -3.596 1.00 0.00 C ATOM 267 O CYS A 35 -11.700 3.866 -4.262 1.00 0.00 O ATOM 268 CB CYS A 35 -8.844 3.430 -2.521 1.00 0.00 C ATOM 269 SG CYS A 35 -8.311 2.182 -1.296 1.00 0.00 S ATOM 0 H CYS A 35 -10.730 1.832 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.334 4.638 -1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.727 3.021 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.192 4.301 -2.454 1.00 0.00 H new ATOM 274 N ALA A 36 -10.427 5.693 -3.914 1.00 0.00 N ATOM 275 CA ALA A 36 -10.897 6.363 -5.115 1.00 0.00 C ATOM 276 C ALA A 36 -10.506 5.557 -6.351 1.00 0.00 C ATOM 277 O ALA A 36 -9.566 4.762 -6.310 1.00 0.00 O ATOM 278 CB ALA A 36 -10.359 7.781 -5.169 1.00 0.00 C ATOM 0 H ALA A 36 -9.756 6.227 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.985 6.427 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.718 8.272 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.702 8.334 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.269 7.757 -5.178 1.00 0.00 H new ATOM 284 N GLU A 37 -11.223 5.763 -7.444 1.00 0.00 N ATOM 285 CA GLU A 37 -11.174 4.840 -8.563 1.00 0.00 C ATOM 286 C GLU A 37 -9.966 5.061 -9.471 1.00 0.00 C ATOM 287 O GLU A 37 -9.675 4.230 -10.339 1.00 0.00 O ATOM 288 CB GLU A 37 -12.464 4.944 -9.356 1.00 0.00 C ATOM 289 CG GLU A 37 -12.472 6.024 -10.417 1.00 0.00 C ATOM 290 CD GLU A 37 -13.518 5.744 -11.468 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.444 4.657 -12.085 1.00 0.00 O ATOM 292 OE2 GLU A 37 -14.407 6.587 -11.667 1.00 0.00 O ATOM 0 H GLU A 37 -11.845 6.560 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.064 3.836 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.659 3.984 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.286 5.128 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.667 6.992 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.489 6.086 -10.885 1.00 0.00 H new ATOM 299 N GLU A 38 -9.283 6.176 -9.289 1.00 0.00 N ATOM 300 CA GLU A 38 -8.060 6.430 -10.041 1.00 0.00 C ATOM 301 C GLU A 38 -6.908 5.647 -9.420 1.00 0.00 C ATOM 302 O GLU A 38 -5.949 5.262 -10.098 1.00 0.00 O ATOM 303 CB GLU A 38 -7.745 7.925 -10.099 1.00 0.00 C ATOM 304 CG GLU A 38 -7.122 8.450 -8.835 1.00 0.00 C ATOM 305 CD GLU A 38 -8.081 8.470 -7.670 1.00 0.00 C ATOM 306 OE1 GLU A 38 -8.875 9.421 -7.563 1.00 0.00 O ATOM 307 OE2 GLU A 38 -8.052 7.511 -6.876 1.00 0.00 O ATOM 0 H GLU A 38 -9.547 6.914 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.202 6.093 -11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.071 8.115 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.664 8.476 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.260 7.834 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.752 9.460 -9.011 1.00 0.00 H new ATOM 314 N GLN A 39 -7.028 5.397 -8.127 1.00 0.00 N ATOM 315 CA GLN A 39 -6.042 4.624 -7.405 1.00 0.00 C ATOM 316 C GLN A 39 -6.373 3.139 -7.478 1.00 0.00 C ATOM 317 O GLN A 39 -7.073 2.596 -6.626 1.00 0.00 O ATOM 318 CB GLN A 39 -5.964 5.114 -5.959 1.00 0.00 C ATOM 319 CG GLN A 39 -5.237 6.444 -5.838 1.00 0.00 C ATOM 320 CD GLN A 39 -5.486 7.152 -4.530 1.00 0.00 C ATOM 321 OE1 GLN A 39 -6.707 7.073 -4.045 1.00 0.00 O flip ATOM 322 NE2 GLN A 39 -4.599 7.808 -3.988 1.00 0.00 N flip ATOM 0 H GLN A 39 -7.807 5.723 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.063 4.762 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.972 5.216 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.453 4.367 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.166 6.275 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.546 7.093 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.666 7.841 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.796 8.319 -3.127 1.00 0.00 H new ATOM 331 N THR A 40 -5.874 2.500 -8.525 1.00 0.00 N ATOM 332 CA THR A 40 -6.189 1.106 -8.783 1.00 0.00 C ATOM 333 C THR A 40 -5.107 0.163 -8.263 1.00 0.00 C ATOM 334 O THR A 40 -5.162 -1.046 -8.491 1.00 0.00 O ATOM 335 CB THR A 40 -6.398 0.876 -10.289 1.00 0.00 C ATOM 336 OG1 THR A 40 -5.472 1.682 -11.034 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.821 1.221 -10.697 1.00 0.00 C ATOM 0 H THR A 40 -5.249 2.926 -9.209 1.00 0.00 H new ATOM 0 HA THR A 40 -7.110 0.881 -8.245 1.00 0.00 H new ATOM 0 HB THR A 40 -6.223 -0.178 -10.505 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.816 2.597 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.944 1.050 -11.766 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.520 0.592 -10.146 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.020 2.269 -10.472 1.00 0.00 H new ATOM 345 N ARG A 41 -4.116 0.711 -7.577 1.00 0.00 N ATOM 346 CA ARG A 41 -3.141 -0.146 -6.926 1.00 0.00 C ATOM 347 C ARG A 41 -3.188 0.060 -5.429 1.00 0.00 C ATOM 348 O ARG A 41 -3.924 0.906 -4.919 1.00 0.00 O ATOM 349 CB ARG A 41 -1.709 0.082 -7.424 1.00 0.00 C ATOM 350 CG ARG A 41 -1.505 -0.242 -8.885 1.00 0.00 C ATOM 351 CD ARG A 41 -1.484 -1.740 -9.114 1.00 0.00 C ATOM 352 NE ARG A 41 -1.147 -2.078 -10.496 1.00 0.00 N ATOM 353 CZ ARG A 41 0.014 -2.619 -10.869 1.00 0.00 C ATOM 354 NH1 ARG A 41 0.960 -2.866 -9.967 1.00 0.00 N ATOM 355 NH2 ARG A 41 0.232 -2.908 -12.149 1.00 0.00 N ATOM 0 H ARG A 41 -3.968 1.713 -7.459 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.412 -1.171 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.438 1.124 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.028 -0.527 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.303 0.208 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.568 0.195 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.760 -2.199 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.459 -2.158 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.842 -1.889 -11.219 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.799 -2.642 -8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.846 -3.280 -10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.488 -2.716 -12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.120 -3.322 -12.434 1.00 0.00 H new ATOM 369 N CYS A 42 -2.359 -0.687 -4.750 1.00 0.00 N ATOM 370 CA CYS A 42 -2.394 -0.680 -3.296 1.00 0.00 C ATOM 371 C CYS A 42 -0.980 -0.608 -2.759 1.00 0.00 C ATOM 372 O CYS A 42 -0.111 -1.377 -3.169 1.00 0.00 O ATOM 373 CB CYS A 42 -3.088 -1.932 -2.743 1.00 0.00 C ATOM 374 SG CYS A 42 -4.817 -2.166 -3.276 1.00 0.00 S ATOM 0 H CYS A 42 -1.658 -1.302 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.964 0.192 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.512 -2.808 -3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.064 -1.890 -1.654 1.00 0.00 H new ATOM 379 N LEU A 43 -0.758 0.299 -1.833 1.00 0.00 N ATOM 380 CA LEU A 43 0.578 0.553 -1.337 1.00 0.00 C ATOM 381 C LEU A 43 0.797 -0.144 -0.006 1.00 0.00 C ATOM 382 O LEU A 43 -0.011 -0.011 0.914 1.00 0.00 O ATOM 383 CB LEU A 43 0.772 2.062 -1.199 1.00 0.00 C ATOM 384 CG LEU A 43 2.202 2.569 -0.995 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.522 2.670 0.476 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.212 1.677 -1.709 1.00 0.00 C ATOM 0 H LEU A 43 -1.486 0.874 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 43 1.311 0.156 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.370 2.537 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.169 2.404 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 43 2.272 3.565 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.542 3.032 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.829 3.364 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.426 1.687 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.218 2.063 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.144 0.663 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.997 1.667 -2.777 1.00 0.00 H new ATOM 398 N PHE A 44 1.876 -0.900 0.073 1.00 0.00 N ATOM 399 CA PHE A 44 2.289 -1.527 1.314 1.00 0.00 C ATOM 400 C PHE A 44 3.804 -1.500 1.424 1.00 0.00 C ATOM 401 O PHE A 44 4.507 -2.107 0.611 1.00 0.00 O ATOM 402 CB PHE A 44 1.773 -2.969 1.401 1.00 0.00 C ATOM 403 CG PHE A 44 2.417 -3.781 2.492 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.045 -3.629 3.819 1.00 0.00 C ATOM 405 CD2 PHE A 44 3.401 -4.699 2.184 1.00 0.00 C ATOM 406 CE1 PHE A 44 2.649 -4.380 4.812 1.00 0.00 C ATOM 407 CE2 PHE A 44 4.006 -5.449 3.165 1.00 0.00 C ATOM 408 CZ PHE A 44 3.633 -5.293 4.480 1.00 0.00 C ATOM 0 H PHE A 44 2.489 -1.096 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 44 1.859 -0.967 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.695 -2.950 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.943 -3.464 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.276 -2.917 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.701 -4.830 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.353 -4.253 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.775 -6.161 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.107 -5.882 5.251 1.00 0.00 H new ATOM 418 N VAL A 45 4.308 -0.769 2.406 1.00 0.00 N ATOM 419 CA VAL A 45 5.731 -0.763 2.662 1.00 0.00 C ATOM 420 C VAL A 45 6.037 -1.658 3.855 1.00 0.00 C ATOM 421 O VAL A 45 5.407 -1.547 4.908 1.00 0.00 O ATOM 422 CB VAL A 45 6.265 0.664 2.913 1.00 0.00 C ATOM 423 CG1 VAL A 45 7.779 0.655 3.069 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.851 1.599 1.783 1.00 0.00 C ATOM 0 H VAL A 45 3.756 -0.180 3.030 1.00 0.00 H new ATOM 0 HA VAL A 45 6.235 -1.146 1.775 1.00 0.00 H new ATOM 0 HB VAL A 45 5.828 1.031 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.133 1.671 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.054 0.024 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.236 0.264 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.237 2.599 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.256 1.232 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.763 1.635 1.721 1.00 0.00 H new ATOM 434 N GLN A 46 6.984 -2.556 3.662 1.00 0.00 N ATOM 435 CA GLN A 46 7.376 -3.506 4.686 1.00 0.00 C ATOM 436 C GLN A 46 8.501 -2.924 5.547 1.00 0.00 C ATOM 437 O GLN A 46 9.602 -2.666 5.061 1.00 0.00 O ATOM 438 CB GLN A 46 7.799 -4.818 4.001 1.00 0.00 C ATOM 439 CG GLN A 46 8.847 -5.631 4.747 1.00 0.00 C ATOM 440 CD GLN A 46 8.296 -6.455 5.902 1.00 0.00 C ATOM 441 OE1 GLN A 46 7.190 -6.022 6.489 1.00 0.00 O flip ATOM 442 NE2 GLN A 46 8.857 -7.489 6.253 1.00 0.00 N flip ATOM 0 H GLN A 46 7.504 -2.648 2.789 1.00 0.00 H new ATOM 0 HA GLN A 46 6.539 -3.713 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.913 -5.438 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.184 -4.583 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.340 -6.300 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.610 -4.954 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.707 -7.794 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.473 -8.043 7.018 1.00 0.00 H new ATOM 451 N LEU A 47 8.204 -2.686 6.819 1.00 0.00 N ATOM 452 CA LEU A 47 9.195 -2.143 7.739 1.00 0.00 C ATOM 453 C LEU A 47 9.609 -3.207 8.748 1.00 0.00 C ATOM 454 O LEU A 47 8.833 -4.106 9.064 1.00 0.00 O ATOM 455 CB LEU A 47 8.651 -0.918 8.493 1.00 0.00 C ATOM 456 CG LEU A 47 8.472 0.370 7.682 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.771 0.765 6.999 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.350 0.236 6.669 1.00 0.00 C ATOM 0 H LEU A 47 7.289 -2.860 7.235 1.00 0.00 H new ATOM 0 HA LEU A 47 10.057 -1.832 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.686 -1.185 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.323 -0.705 9.325 1.00 0.00 H new ATOM 0 HG LEU A 47 8.197 1.162 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.619 1.682 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.542 0.929 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.085 -0.032 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.250 1.167 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.577 -0.577 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.415 0.022 7.187 1.00 0.00 H new ATOM 470 N PRO A 48 10.831 -3.106 9.288 1.00 0.00 N ATOM 471 CA PRO A 48 11.345 -4.064 10.267 1.00 0.00 C ATOM 472 C PRO A 48 10.825 -3.799 11.684 1.00 0.00 C ATOM 473 O PRO A 48 11.472 -4.156 12.667 1.00 0.00 O ATOM 474 CB PRO A 48 12.856 -3.845 10.198 1.00 0.00 C ATOM 475 CG PRO A 48 13.023 -2.419 9.796 1.00 0.00 C ATOM 476 CD PRO A 48 11.813 -2.050 8.978 1.00 0.00 C ATOM 0 HA PRO A 48 11.032 -5.084 10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.327 -4.041 11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.319 -4.516 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.106 -1.778 10.673 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.936 -2.286 9.216 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.436 -1.064 9.248 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.045 -2.022 7.913 1.00 0.00 H new ATOM 484 N TYR A 49 9.642 -3.192 11.772 1.00 0.00 N ATOM 485 CA TYR A 49 9.071 -2.840 13.074 1.00 0.00 C ATOM 486 C TYR A 49 7.624 -2.371 12.924 1.00 0.00 C ATOM 487 O TYR A 49 6.843 -2.422 13.870 1.00 0.00 O ATOM 488 CB TYR A 49 9.911 -1.754 13.771 1.00 0.00 C ATOM 489 CG TYR A 49 10.100 -0.485 12.962 1.00 0.00 C ATOM 490 CD1 TYR A 49 11.104 -0.390 12.009 1.00 0.00 C ATOM 491 CD2 TYR A 49 9.278 0.618 13.156 1.00 0.00 C ATOM 492 CE1 TYR A 49 11.284 0.762 11.270 1.00 0.00 C ATOM 493 CE2 TYR A 49 9.449 1.776 12.420 1.00 0.00 C ATOM 494 CZ TYR A 49 10.454 1.842 11.479 1.00 0.00 C ATOM 495 OH TYR A 49 10.629 2.991 10.743 1.00 0.00 O ATOM 0 H TYR A 49 9.066 -2.936 10.970 1.00 0.00 H new ATOM 0 HA TYR A 49 9.084 -3.736 13.694 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.436 -1.498 14.718 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.891 -2.168 14.008 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.757 -1.234 11.842 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.492 0.570 13.895 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.071 0.817 10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.799 2.623 12.581 1.00 0.00 H new ATOM 0 HH TYR A 49 9.961 3.656 11.012 1.00 0.00 H new ATOM 505 N SER A 50 7.279 -1.900 11.734 1.00 0.00 N ATOM 506 CA SER A 50 5.927 -1.441 11.448 1.00 0.00 C ATOM 507 C SER A 50 5.595 -1.710 9.984 1.00 0.00 C ATOM 508 O SER A 50 6.250 -2.532 9.344 1.00 0.00 O ATOM 509 CB SER A 50 5.803 0.052 11.766 1.00 0.00 C ATOM 510 OG SER A 50 6.137 0.310 13.120 1.00 0.00 O ATOM 0 H SER A 50 7.922 -1.825 10.946 1.00 0.00 H new ATOM 0 HA SER A 50 5.219 -1.985 12.073 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.460 0.623 11.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.785 0.387 11.568 1.00 0.00 H new ATOM 0 HG SER A 50 7.102 0.463 13.195 1.00 0.00 H new ATOM 516 N GLU A 51 4.589 -1.029 9.452 1.00 0.00 N ATOM 517 CA GLU A 51 4.214 -1.219 8.059 1.00 0.00 C ATOM 518 C GLU A 51 3.448 -0.009 7.534 1.00 0.00 C ATOM 519 O GLU A 51 2.777 0.692 8.295 1.00 0.00 O ATOM 520 CB GLU A 51 3.367 -2.490 7.913 1.00 0.00 C ATOM 521 CG GLU A 51 2.096 -2.462 8.745 1.00 0.00 C ATOM 522 CD GLU A 51 1.334 -3.772 8.723 1.00 0.00 C ATOM 523 OE1 GLU A 51 1.044 -4.284 7.625 1.00 0.00 O ATOM 524 OE2 GLU A 51 1.001 -4.289 9.811 1.00 0.00 O ATOM 0 H GLU A 51 4.024 -0.347 9.958 1.00 0.00 H new ATOM 0 HA GLU A 51 5.123 -1.328 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.104 -2.625 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.965 -3.353 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.351 -2.215 9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.447 -1.667 8.378 1.00 0.00 H new ATOM 531 N ILE A 52 3.571 0.244 6.239 1.00 0.00 N ATOM 532 CA ILE A 52 2.849 1.342 5.608 1.00 0.00 C ATOM 533 C ILE A 52 1.809 0.788 4.654 1.00 0.00 C ATOM 534 O ILE A 52 2.085 -0.155 3.921 1.00 0.00 O ATOM 535 CB ILE A 52 3.793 2.276 4.822 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.936 2.730 5.722 1.00 0.00 C ATOM 537 CG2 ILE A 52 3.031 3.479 4.274 1.00 0.00 C ATOM 538 CD1 ILE A 52 5.912 3.674 5.054 1.00 0.00 C ATOM 0 H ILE A 52 4.162 -0.294 5.605 1.00 0.00 H new ATOM 0 HA ILE A 52 2.375 1.919 6.402 1.00 0.00 H new ATOM 0 HB ILE A 52 4.206 1.726 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.519 3.219 6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.479 1.852 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.716 4.124 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.241 3.136 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.591 4.038 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.694 3.949 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.360 3.183 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.385 4.571 4.728 1.00 0.00 H new ATOM 550 N GLN A 53 0.624 1.376 4.661 1.00 0.00 N ATOM 551 CA GLN A 53 -0.437 0.883 3.802 1.00 0.00 C ATOM 552 C GLN A 53 -1.263 2.059 3.310 1.00 0.00 C ATOM 553 O GLN A 53 -1.719 2.879 4.109 1.00 0.00 O ATOM 554 CB GLN A 53 -1.338 -0.098 4.565 1.00 0.00 C ATOM 555 CG GLN A 53 -0.592 -1.256 5.213 1.00 0.00 C ATOM 556 CD GLN A 53 -1.512 -2.190 5.970 1.00 0.00 C ATOM 557 OE1 GLN A 53 -1.787 -1.987 7.154 1.00 0.00 O ATOM 558 NE2 GLN A 53 -1.980 -3.230 5.298 1.00 0.00 N ATOM 0 H GLN A 53 0.376 2.179 5.239 1.00 0.00 H new ATOM 0 HA GLN A 53 0.005 0.358 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.879 0.449 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.083 -0.499 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.062 -1.818 4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.161 -0.862 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.727 -3.360 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.594 -3.901 5.760 1.00 0.00 H new ATOM 567 N GLU A 54 -1.465 2.130 2.002 1.00 0.00 N ATOM 568 CA GLU A 54 -2.233 3.212 1.396 1.00 0.00 C ATOM 569 C GLU A 54 -2.903 2.722 0.121 1.00 0.00 C ATOM 570 O GLU A 54 -2.679 1.590 -0.316 1.00 0.00 O ATOM 571 CB GLU A 54 -1.339 4.408 1.022 1.00 0.00 C ATOM 572 CG GLU A 54 -0.375 4.874 2.104 1.00 0.00 C ATOM 573 CD GLU A 54 0.225 6.227 1.787 1.00 0.00 C ATOM 574 OE1 GLU A 54 -0.538 7.202 1.639 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.458 6.310 1.623 1.00 0.00 O ATOM 0 H GLU A 54 -1.106 1.447 1.335 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.971 3.529 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.762 4.144 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.980 5.245 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.899 4.925 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.424 4.141 2.217 1.00 0.00 H new ATOM 582 N CYS A 55 -3.715 3.581 -0.471 1.00 0.00 N ATOM 583 CA CYS A 55 -4.204 3.350 -1.819 1.00 0.00 C ATOM 584 C CYS A 55 -3.499 4.328 -2.733 1.00 0.00 C ATOM 585 O CYS A 55 -3.480 5.526 -2.462 1.00 0.00 O ATOM 586 CB CYS A 55 -5.714 3.563 -1.908 1.00 0.00 C ATOM 587 SG CYS A 55 -6.638 2.961 -0.466 1.00 0.00 S ATOM 0 H CYS A 55 -4.049 4.443 -0.040 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.001 2.319 -2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.912 4.627 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.088 3.061 -2.800 1.00 0.00 H new ATOM 592 N LYS A 56 -2.895 3.827 -3.787 1.00 0.00 N ATOM 593 CA LYS A 56 -2.103 4.683 -4.650 1.00 0.00 C ATOM 594 C LYS A 56 -2.455 4.408 -6.103 1.00 0.00 C ATOM 595 O LYS A 56 -2.825 3.286 -6.447 1.00 0.00 O ATOM 596 CB LYS A 56 -0.611 4.410 -4.413 1.00 0.00 C ATOM 597 CG LYS A 56 -0.142 4.653 -2.995 1.00 0.00 C ATOM 598 CD LYS A 56 0.014 6.129 -2.681 1.00 0.00 C ATOM 599 CE LYS A 56 0.630 6.305 -1.309 1.00 0.00 C ATOM 600 NZ LYS A 56 0.789 7.729 -0.915 1.00 0.00 N ATOM 0 H LYS A 56 -2.933 2.847 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.317 5.727 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.398 3.375 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.029 5.039 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.854 4.210 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.812 4.149 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.642 6.605 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.958 6.622 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.008 5.798 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.606 5.819 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.774 7.902 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.549 8.341 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.156 7.941 -0.118 1.00 0.00 H new ATOM 614 N THR A 57 -2.371 5.427 -6.950 1.00 0.00 N ATOM 615 CA THR A 57 -2.545 5.187 -8.370 1.00 0.00 C ATOM 616 C THR A 57 -1.386 4.334 -8.842 1.00 0.00 C ATOM 617 O THR A 57 -0.331 4.350 -8.214 1.00 0.00 O ATOM 618 CB THR A 57 -2.598 6.492 -9.195 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.327 7.152 -9.165 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.663 7.436 -8.666 1.00 0.00 C ATOM 0 H THR A 57 -2.189 6.396 -6.687 1.00 0.00 H new ATOM 0 HA THR A 57 -3.501 4.685 -8.520 1.00 0.00 H new ATOM 0 HB THR A 57 -2.848 6.222 -10.221 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.462 8.119 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.675 8.345 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.638 6.952 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.442 7.690 -7.629 1.00 0.00 H new ATOM 628 N VAL A 58 -1.576 3.581 -9.918 1.00 0.00 N ATOM 629 CA VAL A 58 -0.527 2.677 -10.385 1.00 0.00 C ATOM 630 C VAL A 58 0.812 3.421 -10.497 1.00 0.00 C ATOM 631 O VAL A 58 1.846 2.933 -10.040 1.00 0.00 O ATOM 632 CB VAL A 58 -0.857 2.075 -11.774 1.00 0.00 C ATOM 633 CG1 VAL A 58 0.150 0.997 -12.145 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.275 1.526 -11.827 1.00 0.00 C ATOM 0 H VAL A 58 -2.429 3.575 -10.477 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.461 1.872 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.790 2.881 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.100 0.587 -13.124 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.150 1.429 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.122 0.201 -11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.468 1.113 -12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.390 0.743 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.984 2.329 -11.624 1.00 0.00 H new ATOM 644 N GLN A 59 0.769 4.619 -11.090 1.00 0.00 N ATOM 645 CA GLN A 59 1.968 5.437 -11.261 1.00 0.00 C ATOM 646 C GLN A 59 2.523 5.902 -9.928 1.00 0.00 C ATOM 647 O GLN A 59 3.673 5.627 -9.605 1.00 0.00 O ATOM 648 CB GLN A 59 1.668 6.673 -12.107 1.00 0.00 C ATOM 649 CG GLN A 59 2.765 7.726 -12.025 1.00 0.00 C ATOM 650 CD GLN A 59 2.407 9.009 -12.748 1.00 0.00 C ATOM 651 OE1 GLN A 59 1.639 9.000 -13.712 1.00 0.00 O ATOM 652 NE2 GLN A 59 2.970 10.119 -12.300 1.00 0.00 N ATOM 0 H GLN A 59 -0.084 5.041 -11.458 1.00 0.00 H new ATOM 0 HA GLN A 59 2.704 4.808 -11.761 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.536 6.373 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.725 7.111 -11.780 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.969 7.950 -10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.683 7.320 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.600 10.084 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.774 11.010 -12.756 1.00 0.00 H new ATOM 661 N GLN A 60 1.686 6.583 -9.152 1.00 0.00 N ATOM 662 CA GLN A 60 2.106 7.161 -7.879 1.00 0.00 C ATOM 663 C GLN A 60 2.632 6.066 -6.974 1.00 0.00 C ATOM 664 O GLN A 60 3.555 6.271 -6.217 1.00 0.00 O ATOM 665 CB GLN A 60 0.916 7.867 -7.216 1.00 0.00 C ATOM 666 CG GLN A 60 1.216 9.257 -6.674 1.00 0.00 C ATOM 667 CD GLN A 60 2.189 9.247 -5.515 1.00 0.00 C ATOM 668 OE1 GLN A 60 1.789 9.119 -4.354 1.00 0.00 O ATOM 669 NE2 GLN A 60 3.466 9.397 -5.819 1.00 0.00 N ATOM 0 H GLN A 60 0.707 6.749 -9.384 1.00 0.00 H new ATOM 0 HA GLN A 60 2.898 7.889 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.107 7.943 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.553 7.245 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.623 9.873 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.285 9.724 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.750 9.499 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.168 9.411 -5.079 1.00 0.00 H new ATOM 678 N CYS A 61 2.053 4.893 -7.096 1.00 0.00 N ATOM 679 CA CYS A 61 2.438 3.754 -6.287 1.00 0.00 C ATOM 680 C CYS A 61 3.797 3.212 -6.732 1.00 0.00 C ATOM 681 O CYS A 61 4.565 2.704 -5.921 1.00 0.00 O ATOM 682 CB CYS A 61 1.367 2.682 -6.413 1.00 0.00 C ATOM 683 SG CYS A 61 1.217 1.571 -4.991 1.00 0.00 S ATOM 0 H CYS A 61 1.302 4.700 -7.758 1.00 0.00 H new ATOM 0 HA CYS A 61 2.529 4.060 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.406 3.169 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.576 2.084 -7.300 1.00 0.00 H new ATOM 688 N ALA A 62 4.084 3.296 -8.027 1.00 0.00 N ATOM 689 CA ALA A 62 5.409 2.937 -8.521 1.00 0.00 C ATOM 690 C ALA A 62 6.421 3.996 -8.094 1.00 0.00 C ATOM 691 O ALA A 62 7.565 3.688 -7.761 1.00 0.00 O ATOM 692 CB ALA A 62 5.391 2.781 -10.034 1.00 0.00 C ATOM 0 H ALA A 62 3.428 3.605 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 62 5.703 1.979 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.388 2.513 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.686 1.997 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.086 3.721 -10.493 1.00 0.00 H new ATOM 698 N GLU A 63 5.967 5.244 -8.102 1.00 0.00 N ATOM 699 CA GLU A 63 6.753 6.377 -7.638 1.00 0.00 C ATOM 700 C GLU A 63 7.146 6.193 -6.174 1.00 0.00 C ATOM 701 O GLU A 63 8.323 6.254 -5.817 1.00 0.00 O ATOM 702 CB GLU A 63 5.920 7.653 -7.805 1.00 0.00 C ATOM 703 CG GLU A 63 5.664 8.035 -9.254 1.00 0.00 C ATOM 704 CD GLU A 63 4.781 9.259 -9.382 1.00 0.00 C ATOM 705 OE1 GLU A 63 3.967 9.507 -8.466 1.00 0.00 O ATOM 706 OE2 GLU A 63 4.892 9.972 -10.400 1.00 0.00 O ATOM 0 H GLU A 63 5.036 5.498 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 63 7.668 6.451 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.963 7.520 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.431 8.477 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.616 8.224 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.196 7.197 -9.770 1.00 0.00 H new ATOM 713 N VAL A 64 6.145 5.925 -5.349 1.00 0.00 N ATOM 714 CA VAL A 64 6.331 5.744 -3.947 1.00 0.00 C ATOM 715 C VAL A 64 7.032 4.423 -3.641 1.00 0.00 C ATOM 716 O VAL A 64 7.695 4.280 -2.617 1.00 0.00 O ATOM 717 CB VAL A 64 4.967 5.813 -3.265 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.263 7.118 -3.587 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.130 4.634 -3.648 1.00 0.00 C ATOM 0 H VAL A 64 5.176 5.829 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 64 6.975 6.535 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 64 5.120 5.782 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.294 7.141 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.870 7.954 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.119 7.197 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.161 4.699 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.986 4.626 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.633 3.716 -3.342 1.00 0.00 H new ATOM 729 N LEU A 65 6.861 3.443 -4.513 1.00 0.00 N ATOM 730 CA LEU A 65 7.572 2.193 -4.347 1.00 0.00 C ATOM 731 C LEU A 65 9.063 2.465 -4.392 1.00 0.00 C ATOM 732 O LEU A 65 9.808 2.041 -3.516 1.00 0.00 O ATOM 733 CB LEU A 65 7.199 1.201 -5.453 1.00 0.00 C ATOM 734 CG LEU A 65 7.231 -0.281 -5.058 1.00 0.00 C ATOM 735 CD1 LEU A 65 8.572 -0.695 -4.490 1.00 0.00 C ATOM 736 CD2 LEU A 65 6.106 -0.586 -4.085 1.00 0.00 C ATOM 0 H LEU A 65 6.248 3.489 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 65 7.297 1.755 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.197 1.442 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.879 1.349 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 65 7.083 -0.868 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.544 -1.752 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.350 -0.527 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.788 -0.104 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.138 -1.641 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.223 0.025 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.148 -0.362 -4.554 1.00 0.00 H new ATOM 748 N GLU A 66 9.490 3.200 -5.404 1.00 0.00 N ATOM 749 CA GLU A 66 10.905 3.426 -5.603 1.00 0.00 C ATOM 750 C GLU A 66 11.469 4.406 -4.588 1.00 0.00 C ATOM 751 O GLU A 66 12.621 4.280 -4.180 1.00 0.00 O ATOM 752 CB GLU A 66 11.190 3.894 -7.032 1.00 0.00 C ATOM 753 CG GLU A 66 12.668 3.876 -7.389 1.00 0.00 C ATOM 754 CD GLU A 66 13.278 2.492 -7.262 1.00 0.00 C ATOM 755 OE1 GLU A 66 13.628 2.096 -6.128 1.00 0.00 O ATOM 756 OE2 GLU A 66 13.397 1.800 -8.293 1.00 0.00 O ATOM 0 H GLU A 66 8.883 3.645 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 66 11.410 2.472 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.647 3.257 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.805 4.906 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.796 4.234 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.204 4.567 -6.739 1.00 0.00 H new ATOM 763 N GLU A 67 10.665 5.364 -4.157 1.00 0.00 N ATOM 764 CA GLU A 67 11.153 6.335 -3.203 1.00 0.00 C ATOM 765 C GLU A 67 11.574 5.629 -1.909 1.00 0.00 C ATOM 766 O GLU A 67 12.607 5.949 -1.333 1.00 0.00 O ATOM 767 CB GLU A 67 10.086 7.382 -2.939 1.00 0.00 C ATOM 768 CG GLU A 67 8.912 6.798 -2.253 1.00 0.00 C ATOM 769 CD GLU A 67 7.847 7.826 -1.911 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.227 8.376 -2.845 1.00 0.00 O ATOM 771 OE2 GLU A 67 7.630 8.077 -0.709 1.00 0.00 O ATOM 0 H GLU A 67 9.695 5.486 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 67 12.028 6.840 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.504 8.183 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.772 7.829 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.474 6.028 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.241 6.307 -1.337 1.00 0.00 H new ATOM 778 N VAL A 68 10.767 4.658 -1.471 1.00 0.00 N ATOM 779 CA VAL A 68 11.080 3.889 -0.268 1.00 0.00 C ATOM 780 C VAL A 68 12.087 2.769 -0.539 1.00 0.00 C ATOM 781 O VAL A 68 12.959 2.491 0.285 1.00 0.00 O ATOM 782 CB VAL A 68 9.804 3.285 0.373 1.00 0.00 C ATOM 783 CG1 VAL A 68 8.869 4.390 0.838 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.079 2.345 -0.592 1.00 0.00 C ATOM 0 H VAL A 68 9.897 4.389 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 68 11.530 4.596 0.429 1.00 0.00 H new ATOM 0 HB VAL A 68 10.115 2.698 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.978 3.949 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.377 5.010 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.580 5.005 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.190 1.941 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.787 2.896 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.743 1.527 -0.871 1.00 0.00 H new ATOM 794 N THR A 69 11.969 2.136 -1.695 1.00 0.00 N ATOM 795 CA THR A 69 12.751 0.947 -1.999 1.00 0.00 C ATOM 796 C THR A 69 14.185 1.304 -2.394 1.00 0.00 C ATOM 797 O THR A 69 15.109 0.515 -2.180 1.00 0.00 O ATOM 798 CB THR A 69 12.040 0.110 -3.083 1.00 0.00 C ATOM 799 OG1 THR A 69 10.762 -0.289 -2.582 1.00 0.00 O ATOM 800 CG2 THR A 69 12.818 -1.131 -3.486 1.00 0.00 C ATOM 0 H THR A 69 11.337 2.426 -2.441 1.00 0.00 H new ATOM 0 HA THR A 69 12.824 0.338 -1.098 1.00 0.00 H new ATOM 0 HB THR A 69 11.951 0.735 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.137 0.464 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.264 -1.675 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.791 -0.838 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.958 -1.771 -2.615 1.00 0.00 H new ATOM 808 N ALA A 70 14.382 2.514 -2.912 1.00 0.00 N ATOM 809 CA ALA A 70 15.735 2.982 -3.189 1.00 0.00 C ATOM 810 C ALA A 70 16.489 3.233 -1.886 1.00 0.00 C ATOM 811 O ALA A 70 17.718 3.276 -1.864 1.00 0.00 O ATOM 812 CB ALA A 70 15.709 4.247 -4.036 1.00 0.00 C ATOM 0 H ALA A 70 13.640 3.174 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 70 16.254 2.205 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.730 4.577 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.209 4.041 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.170 5.030 -3.504 1.00 0.00 H new ATOM 818 N ILE A 71 15.737 3.394 -0.800 1.00 0.00 N ATOM 819 CA ILE A 71 16.330 3.581 0.519 1.00 0.00 C ATOM 820 C ILE A 71 16.747 2.230 1.093 1.00 0.00 C ATOM 821 O ILE A 71 17.608 2.146 1.969 1.00 0.00 O ATOM 822 CB ILE A 71 15.346 4.251 1.508 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.576 5.386 0.829 1.00 0.00 C ATOM 824 CG2 ILE A 71 16.098 4.779 2.724 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.539 6.039 1.720 1.00 0.00 C ATOM 0 H ILE A 71 14.717 3.399 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 71 17.194 4.233 0.395 1.00 0.00 H new ATOM 0 HB ILE A 71 14.628 3.499 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.284 6.144 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.083 4.996 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.394 5.248 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.602 3.954 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.837 5.514 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.035 6.833 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.808 5.294 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.028 6.460 2.599 1.00 0.00 H new ATOM 837 N GLY A 72 16.128 1.171 0.585 1.00 0.00 N ATOM 838 CA GLY A 72 16.421 -0.149 1.097 1.00 0.00 C ATOM 839 C GLY A 72 15.243 -0.750 1.836 1.00 0.00 C ATOM 840 O GLY A 72 15.335 -1.853 2.373 1.00 0.00 O ATOM 0 H GLY A 72 15.436 1.204 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.702 -0.803 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.279 -0.095 1.767 1.00 0.00 H new ATOM 844 N TYR A 73 14.133 -0.024 1.870 1.00 0.00 N ATOM 845 CA TYR A 73 12.943 -0.501 2.543 1.00 0.00 C ATOM 846 C TYR A 73 12.073 -1.321 1.595 1.00 0.00 C ATOM 847 O TYR A 73 11.738 -0.866 0.503 1.00 0.00 O ATOM 848 CB TYR A 73 12.146 0.678 3.096 1.00 0.00 C ATOM 849 CG TYR A 73 12.828 1.395 4.239 1.00 0.00 C ATOM 850 CD1 TYR A 73 13.059 0.751 5.449 1.00 0.00 C ATOM 851 CD2 TYR A 73 13.237 2.715 4.111 1.00 0.00 C ATOM 852 CE1 TYR A 73 13.678 1.404 6.498 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.858 3.374 5.156 1.00 0.00 C ATOM 854 CZ TYR A 73 14.076 2.714 6.346 1.00 0.00 C ATOM 855 OH TYR A 73 14.694 3.368 7.388 1.00 0.00 O ATOM 0 H TYR A 73 14.037 0.895 1.439 1.00 0.00 H new ATOM 0 HA TYR A 73 13.251 -1.144 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.963 1.390 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.173 0.320 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.750 -0.276 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.068 3.236 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.849 0.890 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.171 4.401 5.040 1.00 0.00 H new ATOM 0 HH TYR A 73 14.911 4.284 7.116 1.00 0.00 H new ATOM 865 N PRO A 74 11.721 -2.551 2.000 1.00 0.00 N ATOM 866 CA PRO A 74 10.833 -3.432 1.228 1.00 0.00 C ATOM 867 C PRO A 74 9.483 -2.792 0.930 1.00 0.00 C ATOM 868 O PRO A 74 8.839 -2.254 1.825 1.00 0.00 O ATOM 869 CB PRO A 74 10.636 -4.616 2.176 1.00 0.00 C ATOM 870 CG PRO A 74 11.870 -4.638 2.984 1.00 0.00 C ATOM 871 CD PRO A 74 12.173 -3.202 3.244 1.00 0.00 C ATOM 0 HA PRO A 74 11.254 -3.684 0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.753 -4.484 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.502 -5.548 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.725 -5.188 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.686 -5.125 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.639 -2.826 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.235 -3.038 3.425 1.00 0.00 H new ATOM 879 N ALA A 75 9.053 -2.847 -0.319 1.00 0.00 N ATOM 880 CA ALA A 75 7.712 -2.364 -0.631 1.00 0.00 C ATOM 881 C ALA A 75 7.077 -3.161 -1.765 1.00 0.00 C ATOM 882 O ALA A 75 7.771 -3.777 -2.573 1.00 0.00 O ATOM 883 CB ALA A 75 7.750 -0.884 -0.975 1.00 0.00 C ATOM 0 H ALA A 75 9.587 -3.207 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 75 7.094 -2.505 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.742 -0.538 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.141 -0.323 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.394 -0.728 -1.841 1.00 0.00 H new ATOM 889 N LYS A 76 5.748 -3.173 -1.789 1.00 0.00 N ATOM 890 CA LYS A 76 4.996 -3.820 -2.860 1.00 0.00 C ATOM 891 C LYS A 76 3.771 -3.002 -3.228 1.00 0.00 C ATOM 892 O LYS A 76 3.220 -2.278 -2.397 1.00 0.00 O ATOM 893 CB LYS A 76 4.540 -5.241 -2.486 1.00 0.00 C ATOM 894 CG LYS A 76 4.237 -5.454 -1.007 1.00 0.00 C ATOM 895 CD LYS A 76 5.491 -5.732 -0.183 1.00 0.00 C ATOM 896 CE LYS A 76 6.154 -7.046 -0.572 1.00 0.00 C ATOM 897 NZ LYS A 76 7.266 -7.399 0.354 1.00 0.00 N ATOM 0 H LYS A 76 5.165 -2.739 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 76 5.676 -3.887 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.647 -5.483 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.315 -5.946 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.736 -4.570 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.544 -6.288 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.200 -4.915 -0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.230 -5.758 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.411 -7.843 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.538 -6.972 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.736 -8.264 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.954 -6.620 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.885 -7.561 1.308 1.00 0.00 H new ATOM 911 N CYS A 77 3.359 -3.121 -4.477 1.00 0.00 N ATOM 912 CA CYS A 77 2.132 -2.503 -4.931 1.00 0.00 C ATOM 913 C CYS A 77 1.466 -3.382 -5.981 1.00 0.00 C ATOM 914 O CYS A 77 1.775 -3.296 -7.174 1.00 0.00 O ATOM 915 CB CYS A 77 2.386 -1.116 -5.511 1.00 0.00 C ATOM 916 SG CYS A 77 0.875 -0.210 -5.879 1.00 0.00 S ATOM 0 H CYS A 77 3.860 -3.643 -5.196 1.00 0.00 H new ATOM 0 HA CYS A 77 1.474 -2.395 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.985 -0.539 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 77 2.974 -1.214 -6.423 1.00 0.00 H new ATOM 921 N CYS A 78 0.571 -4.243 -5.538 1.00 0.00 N ATOM 922 CA CYS A 78 -0.133 -5.105 -6.479 1.00 0.00 C ATOM 923 C CYS A 78 -1.585 -4.658 -6.649 1.00 0.00 C ATOM 924 O CYS A 78 -2.087 -3.847 -5.872 1.00 0.00 O ATOM 925 CB CYS A 78 -0.067 -6.556 -6.002 1.00 0.00 C ATOM 926 SG CYS A 78 -0.416 -6.762 -4.227 1.00 0.00 S ATOM 0 H CYS A 78 0.315 -4.367 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 78 0.354 -5.030 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -0.780 -7.150 -6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.925 -6.955 -6.217 1.00 0.00 H new ATOM 931 N CYS A 79 -2.247 -5.175 -7.679 1.00 0.00 N ATOM 932 CA CYS A 79 -3.587 -4.707 -8.013 1.00 0.00 C ATOM 933 C CYS A 79 -4.622 -5.776 -7.690 1.00 0.00 C ATOM 934 O CYS A 79 -4.729 -6.772 -8.401 1.00 0.00 O ATOM 935 CB CYS A 79 -3.654 -4.339 -9.498 1.00 0.00 C ATOM 936 SG CYS A 79 -5.201 -3.562 -10.016 1.00 0.00 S ATOM 0 H CYS A 79 -1.884 -5.908 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.808 -3.822 -7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.830 -3.664 -9.728 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.501 -5.242 -10.089 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.173 -2.297 -9.717 1.00 0.00 H new ATOM 942 N GLU A 80 -5.348 -5.551 -6.601 1.00 0.00 N ATOM 943 CA GLU A 80 -6.382 -6.461 -6.113 1.00 0.00 C ATOM 944 C GLU A 80 -6.840 -5.955 -4.753 1.00 0.00 C ATOM 945 O GLU A 80 -6.057 -5.294 -4.058 1.00 0.00 O ATOM 946 CB GLU A 80 -5.841 -7.896 -5.989 1.00 0.00 C ATOM 947 CG GLU A 80 -6.864 -8.909 -5.495 1.00 0.00 C ATOM 948 CD GLU A 80 -8.099 -8.965 -6.371 1.00 0.00 C ATOM 949 OE1 GLU A 80 -9.005 -8.129 -6.164 1.00 0.00 O ATOM 950 OE2 GLU A 80 -8.163 -9.841 -7.258 1.00 0.00 O ATOM 0 H GLU A 80 -5.234 -4.719 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.215 -6.486 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.469 -8.217 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.990 -7.894 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.404 -9.896 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.157 -8.656 -4.476 1.00 0.00 H new ATOM 957 N ASP A 81 -8.086 -6.223 -4.371 1.00 0.00 N ATOM 958 CA ASP A 81 -8.530 -5.822 -3.039 1.00 0.00 C ATOM 959 C ASP A 81 -7.637 -6.449 -1.992 1.00 0.00 C ATOM 960 O ASP A 81 -7.242 -7.611 -2.108 1.00 0.00 O ATOM 961 CB ASP A 81 -9.977 -6.223 -2.722 1.00 0.00 C ATOM 962 CG ASP A 81 -11.028 -5.424 -3.470 1.00 0.00 C ATOM 963 OD1 ASP A 81 -10.921 -4.178 -3.516 1.00 0.00 O ATOM 964 OD2 ASP A 81 -12.022 -6.021 -3.938 1.00 0.00 O ATOM 0 H ASP A 81 -8.785 -6.699 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.475 -4.734 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.108 -7.280 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.146 -6.110 -1.651 1.00 0.00 H new ATOM 969 N LEU A 82 -7.309 -5.664 -0.978 1.00 0.00 N ATOM 970 CA LEU A 82 -6.596 -6.158 0.195 1.00 0.00 C ATOM 971 C LEU A 82 -5.195 -6.657 -0.181 1.00 0.00 C ATOM 972 O LEU A 82 -4.550 -7.365 0.596 1.00 0.00 O ATOM 973 CB LEU A 82 -7.380 -7.299 0.887 1.00 0.00 C ATOM 974 CG LEU A 82 -8.886 -7.071 1.157 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.240 -5.596 1.293 1.00 0.00 C ATOM 976 CD2 LEU A 82 -9.738 -7.762 0.106 1.00 0.00 C ATOM 0 H LEU A 82 -7.528 -4.668 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.501 -5.323 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.280 -8.195 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.896 -7.509 1.841 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.110 -7.526 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.309 -5.494 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.682 -5.163 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.983 -5.074 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.792 -7.586 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.495 -7.363 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.538 -8.833 0.123 1.00 0.00 H new ATOM 988 N CYS A 83 -4.711 -6.262 -1.357 1.00 0.00 N ATOM 989 CA CYS A 83 -3.442 -6.788 -1.853 1.00 0.00 C ATOM 990 C CYS A 83 -2.257 -6.101 -1.177 1.00 0.00 C ATOM 991 O CYS A 83 -1.110 -6.494 -1.359 1.00 0.00 O ATOM 992 CB CYS A 83 -3.346 -6.624 -3.375 1.00 0.00 C ATOM 993 SG CYS A 83 -2.176 -7.773 -4.182 1.00 0.00 S ATOM 0 H CYS A 83 -5.169 -5.592 -1.974 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.407 -7.850 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.336 -6.769 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.046 -5.601 -3.600 1.00 0.00 H new ATOM 998 N ASN A 84 -2.528 -5.082 -0.385 1.00 0.00 N ATOM 999 CA ASN A 84 -1.458 -4.403 0.326 1.00 0.00 C ATOM 1000 C ASN A 84 -1.448 -4.820 1.795 1.00 0.00 C ATOM 1001 O ASN A 84 -1.182 -4.016 2.688 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.589 -2.883 0.191 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.791 -2.307 0.910 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.835 -2.949 1.036 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.644 -1.082 1.385 1.00 0.00 N ATOM 0 H ASN A 84 -3.463 -4.709 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.509 -4.697 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.685 -2.414 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.652 -2.626 -0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.414 -0.631 1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.761 -0.588 1.257 1.00 0.00 H new ATOM 1012 N ARG A 85 -1.730 -6.094 2.037 1.00 0.00 N ATOM 1013 CA ARG A 85 -1.729 -6.608 3.399 1.00 0.00 C ATOM 1014 C ARG A 85 -0.335 -7.098 3.777 1.00 0.00 C ATOM 1015 O ARG A 85 0.532 -7.243 2.911 1.00 0.00 O ATOM 1016 CB ARG A 85 -2.763 -7.739 3.568 1.00 0.00 C ATOM 1017 CG ARG A 85 -2.308 -9.142 3.141 1.00 0.00 C ATOM 1018 CD ARG A 85 -2.115 -9.282 1.635 1.00 0.00 C ATOM 1019 NE ARG A 85 -0.789 -8.840 1.202 1.00 0.00 N ATOM 1020 CZ ARG A 85 -0.328 -8.958 -0.040 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -1.084 -9.509 -0.986 1.00 0.00 N ATOM 1022 NH2 ARG A 85 0.889 -8.516 -0.336 1.00 0.00 N ATOM 0 H ARG A 85 -1.959 -6.781 1.319 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.010 -5.795 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.059 -7.779 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.653 -7.478 2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.371 -9.381 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.045 -9.873 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.260 -10.323 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.877 -8.699 1.117 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.178 -8.413 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.021 -9.843 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.727 -9.598 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.466 -8.088 0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.246 -8.605 -1.287 1.00 0.00 H new ATOM 1036 N SER A 86 -0.128 -7.354 5.059 1.00 0.00 N ATOM 1037 CA SER A 86 1.151 -7.859 5.528 1.00 0.00 C ATOM 1038 C SER A 86 1.393 -9.264 4.989 1.00 0.00 C ATOM 1039 O SER A 86 0.503 -10.117 5.037 1.00 0.00 O ATOM 1040 CB SER A 86 1.152 -7.875 7.052 1.00 0.00 C ATOM 1041 OG SER A 86 0.385 -6.796 7.555 1.00 0.00 O ATOM 0 H SER A 86 -0.827 -7.221 5.790 1.00 0.00 H new ATOM 0 HA SER A 86 1.950 -7.211 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.744 -8.819 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.175 -7.807 7.423 1.00 0.00 H new ATOM 0 HG SER A 86 0.962 -6.013 7.675 1.00 0.00 H new ATOM 1047 N GLU A 87 2.583 -9.497 4.459 1.00 0.00 N ATOM 1048 CA GLU A 87 2.928 -10.810 3.933 1.00 0.00 C ATOM 1049 C GLU A 87 3.290 -11.735 5.084 1.00 0.00 C ATOM 1050 O GLU A 87 2.965 -12.922 5.060 1.00 0.00 O ATOM 1051 CB GLU A 87 4.096 -10.717 2.944 1.00 0.00 C ATOM 1052 CG GLU A 87 4.302 -9.330 2.354 1.00 0.00 C ATOM 1053 CD GLU A 87 5.238 -8.482 3.187 1.00 0.00 C ATOM 1054 OE1 GLU A 87 4.953 -8.285 4.385 1.00 0.00 O ATOM 1055 OE2 GLU A 87 6.249 -7.999 2.632 1.00 0.00 O ATOM 0 H GLU A 87 3.323 -8.799 4.381 1.00 0.00 H new ATOM 0 HA GLU A 87 2.066 -11.210 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.011 -11.025 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.927 -11.424 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.702 -9.423 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.339 -8.827 2.270 1.00 0.00 H new ATOM 1062 N GLN A 88 3.960 -11.154 6.089 1.00 0.00 N ATOM 1063 CA GLN A 88 4.346 -11.854 7.324 1.00 0.00 C ATOM 1064 C GLN A 88 4.807 -13.287 7.065 1.00 0.00 C ATOM 1065 O GLN A 88 5.822 -13.729 7.605 1.00 0.00 O ATOM 1066 CB GLN A 88 3.200 -11.833 8.350 1.00 0.00 C ATOM 1067 CG GLN A 88 1.946 -12.580 7.915 1.00 0.00 C ATOM 1068 CD GLN A 88 0.815 -12.465 8.918 1.00 0.00 C ATOM 1069 OE1 GLN A 88 1.041 -12.343 10.120 1.00 0.00 O ATOM 1070 NE2 GLN A 88 -0.414 -12.502 8.427 1.00 0.00 N ATOM 0 H GLN A 88 4.252 -10.177 6.068 1.00 0.00 H new ATOM 0 HA GLN A 88 5.197 -11.313 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.558 -12.265 9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.936 -10.796 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.613 -12.191 6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.189 -13.632 7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.559 -12.604 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.216 -12.428 9.053 1.00 0.00 H new TER 1079 GLN A 88