USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 hydrogens (10 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 2 LYS NZ :NH3+ 149:sc= -0.377 (180deg=-1.16!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.51 K(o=-0.51,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= -0.0281 (180deg=-0.976) USER MOD Single : A 17 ASN : amide:sc= -1.61 K(o=-1.6,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -102:sc= -0.0224 (180deg=-1.81!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 90:sc= 0.0374 USER MOD Single : B 52 LYS NZ :NH3+ -171:sc= -0.0335 (180deg=-0.0795) USER MOD Single : B 53 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.16) USER MOD Single : B 54 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -117:sc= -0.238 (180deg=-0.761) USER MOD Single : B 67 MET CE :methyl -149:sc= -0.0464 (180deg=-0.0823) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 19.655 11.084 0.990 1.00 0.00 C HETATM 2 O ACE A 1 18.947 11.911 1.575 1.00 0.00 O HETATM 3 CH3 ACE A 1 21.199 11.325 0.806 1.00 0.00 C HETATM 0 H1 ACE A 1 21.753 10.520 1.289 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.440 11.345 -0.257 1.00 0.00 H new HETATM 0 H3 ACE A 1 21.475 12.277 1.259 1.00 0.00 H new ATOM 7 N LYS A 2 19.131 9.980 0.430 1.00 0.00 N ATOM 8 CA LYS A 2 17.774 9.449 0.773 1.00 0.00 C ATOM 9 C LYS A 2 17.576 8.033 0.123 1.00 0.00 C ATOM 10 O LYS A 2 17.660 7.873 -1.100 1.00 0.00 O ATOM 11 CB LYS A 2 16.663 10.470 0.366 1.00 0.00 C ATOM 12 CG LYS A 2 15.270 9.874 0.005 1.00 0.00 C ATOM 13 CD LYS A 2 14.125 10.910 -0.070 1.00 0.00 C ATOM 14 CE LYS A 2 14.223 11.756 -1.354 1.00 0.00 C ATOM 15 NZ LYS A 2 14.344 10.850 -2.529 1.00 0.00 N ATOM 0 H LYS A 2 19.622 9.424 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 2 17.691 9.322 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.530 11.175 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.022 11.041 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.345 9.365 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.010 9.118 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.164 10.397 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.163 11.562 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.340 12.387 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.086 12.420 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.902 11.296 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.349 10.670 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.865 9.950 -2.324 1.00 0.00 H new ATOM 29 N SER A 3 17.364 6.994 0.950 1.00 0.00 N ATOM 30 CA SER A 3 17.484 5.561 0.538 1.00 0.00 C ATOM 31 C SER A 3 16.194 5.037 -0.192 1.00 0.00 C ATOM 32 O SER A 3 15.075 5.156 0.320 1.00 0.00 O ATOM 33 CB SER A 3 17.875 4.770 1.810 1.00 0.00 C ATOM 34 OG SER A 3 18.828 3.736 1.547 1.00 0.00 O ATOM 0 H SER A 3 17.103 7.112 1.929 1.00 0.00 H new ATOM 0 HA SER A 3 18.258 5.425 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.286 5.458 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.979 4.330 2.249 1.00 0.00 H new ATOM 0 HG SER A 3 19.042 3.269 2.381 1.00 0.00 H new ATOM 40 N GLU A 4 16.359 4.410 -1.371 1.00 0.00 N ATOM 41 CA GLU A 4 15.220 4.057 -2.278 1.00 0.00 C ATOM 42 C GLU A 4 15.278 2.554 -2.733 1.00 0.00 C ATOM 43 O GLU A 4 14.251 1.876 -2.838 1.00 0.00 O ATOM 44 CB GLU A 4 15.017 5.108 -3.411 1.00 0.00 C ATOM 45 CG GLU A 4 16.202 5.546 -4.322 1.00 0.00 C ATOM 46 CD GLU A 4 15.750 5.960 -5.708 1.00 0.00 C ATOM 47 OE1 GLU A 4 14.743 6.690 -5.817 1.00 0.00 O ATOM 48 OE2 GLU A 4 16.348 5.542 -6.718 1.00 0.00 O ATOM 0 H GLU A 4 17.271 4.130 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 4 14.294 4.122 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.236 4.723 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.624 6.010 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.729 6.377 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.913 4.725 -4.406 1.00 0.00 H new ATOM 55 N GLU A 5 16.493 2.016 -2.940 1.00 0.00 N ATOM 56 CA GLU A 5 16.728 0.606 -3.360 1.00 0.00 C ATOM 57 C GLU A 5 16.284 -0.480 -2.316 1.00 0.00 C ATOM 58 O GLU A 5 15.991 -1.628 -2.669 1.00 0.00 O ATOM 59 CB GLU A 5 18.240 0.539 -3.827 1.00 0.00 C ATOM 60 CG GLU A 5 19.170 1.817 -3.782 1.00 0.00 C ATOM 61 CD GLU A 5 20.613 1.607 -4.208 1.00 0.00 C ATOM 62 OE1 GLU A 5 20.885 0.656 -4.973 1.00 0.00 O ATOM 63 OE2 GLU A 5 21.490 2.406 -3.815 1.00 0.00 O ATOM 0 H GLU A 5 17.356 2.547 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 5 16.074 0.336 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.725 -0.229 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.239 0.182 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.731 2.583 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.166 2.209 -2.765 1.00 0.00 H new ATOM 70 N GLU A 6 16.210 -0.109 -1.026 1.00 0.00 N ATOM 71 CA GLU A 6 15.621 -0.967 0.050 1.00 0.00 C ATOM 72 C GLU A 6 14.064 -1.148 -0.061 1.00 0.00 C ATOM 73 O GLU A 6 13.553 -2.267 -0.186 1.00 0.00 O ATOM 74 CB GLU A 6 16.118 -0.462 1.445 1.00 0.00 C ATOM 75 CG GLU A 6 16.304 -1.498 2.599 1.00 0.00 C ATOM 76 CD GLU A 6 16.638 -0.930 3.973 1.00 0.00 C ATOM 77 OE1 GLU A 6 16.815 0.300 4.089 1.00 0.00 O ATOM 78 OE2 GLU A 6 16.699 -1.704 4.950 1.00 0.00 O ATOM 0 H GLU A 6 16.553 0.790 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 6 15.986 -1.985 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.075 0.038 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.414 0.295 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.388 -2.082 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.097 -2.189 2.313 1.00 0.00 H new ATOM 85 N LEU A 7 13.302 -0.045 0.051 1.00 0.00 N ATOM 86 CA LEU A 7 11.848 -0.011 -0.301 1.00 0.00 C ATOM 87 C LEU A 7 11.596 -0.488 -1.777 1.00 0.00 C ATOM 88 O LEU A 7 10.505 -0.955 -2.123 1.00 0.00 O ATOM 89 CB LEU A 7 11.280 1.418 -0.037 1.00 0.00 C ATOM 90 CG LEU A 7 11.225 1.920 1.431 1.00 0.00 C ATOM 91 CD1 LEU A 7 12.577 2.528 1.837 1.00 0.00 C ATOM 92 CD2 LEU A 7 10.118 2.961 1.668 1.00 0.00 C ATOM 0 H LEU A 7 13.662 0.849 0.385 1.00 0.00 H new ATOM 0 HA LEU A 7 11.314 -0.715 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.878 2.126 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.268 1.455 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 7 10.998 1.048 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.524 2.876 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.357 1.772 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.810 3.368 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.130 3.273 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.290 3.827 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.149 2.522 1.432 1.00 0.00 H new ATOM 104 N ALA A 8 12.632 -0.428 -2.633 1.00 0.00 N ATOM 105 CA ALA A 8 12.647 -1.132 -3.954 1.00 0.00 C ATOM 106 C ALA A 8 12.478 -2.692 -3.870 1.00 0.00 C ATOM 107 O ALA A 8 11.449 -3.248 -4.269 1.00 0.00 O ATOM 108 CB ALA A 8 13.972 -0.713 -4.626 1.00 0.00 C ATOM 0 H ALA A 8 13.482 0.102 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 8 11.777 -0.837 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.053 -1.192 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.990 0.370 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.810 -1.020 -4.001 1.00 0.00 H new ATOM 114 N ASN A 9 13.486 -3.397 -3.327 1.00 0.00 N ATOM 115 CA ASN A 9 13.380 -4.848 -2.974 1.00 0.00 C ATOM 116 C ASN A 9 12.114 -5.186 -2.108 1.00 0.00 C ATOM 117 O ASN A 9 11.401 -6.161 -2.368 1.00 0.00 O ATOM 118 CB ASN A 9 14.708 -5.270 -2.270 1.00 0.00 C ATOM 119 CG ASN A 9 15.972 -5.242 -3.135 1.00 0.00 C ATOM 120 OD1 ASN A 9 17.086 -5.196 -2.626 1.00 0.00 O ATOM 121 ND2 ASN A 9 15.849 -5.318 -4.435 1.00 0.00 N ATOM 0 H ASN A 9 14.398 -2.992 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 9 13.242 -5.425 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.865 -4.614 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.583 -6.280 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.680 -5.339 -5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.922 -5.356 -4.858 1.00 0.00 H new ATOM 128 N ALA A 10 11.817 -4.359 -1.090 1.00 0.00 N ATOM 129 CA ALA A 10 10.600 -4.495 -0.231 1.00 0.00 C ATOM 130 C ALA A 10 9.234 -4.377 -1.000 1.00 0.00 C ATOM 131 O ALA A 10 8.300 -5.153 -0.771 1.00 0.00 O ATOM 132 CB ALA A 10 10.753 -3.426 0.871 1.00 0.00 C ATOM 0 H ALA A 10 12.409 -3.570 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 10 10.549 -5.504 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.894 -3.468 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.664 -3.616 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.810 -2.438 0.414 1.00 0.00 H new ATOM 138 N PHE A 11 9.127 -3.407 -1.926 1.00 0.00 N ATOM 139 CA PHE A 11 7.910 -3.195 -2.770 1.00 0.00 C ATOM 140 C PHE A 11 7.705 -4.358 -3.807 1.00 0.00 C ATOM 141 O PHE A 11 6.584 -4.658 -4.231 1.00 0.00 O ATOM 142 CB PHE A 11 8.015 -1.798 -3.470 1.00 0.00 C ATOM 143 CG PHE A 11 6.893 -1.380 -4.445 1.00 0.00 C ATOM 144 CD1 PHE A 11 5.616 -1.034 -3.984 1.00 0.00 C ATOM 145 CD2 PHE A 11 7.158 -1.314 -5.819 1.00 0.00 C ATOM 146 CE1 PHE A 11 4.611 -0.682 -4.884 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.161 -0.937 -6.715 1.00 0.00 C ATOM 148 CZ PHE A 11 4.887 -0.628 -6.248 1.00 0.00 C ATOM 0 H PHE A 11 9.875 -2.742 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 11 7.027 -3.207 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.077 -1.039 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.958 -1.770 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.409 -1.040 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.144 -1.558 -6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.619 -0.451 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.376 -0.884 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.111 -0.346 -6.944 1.00 0.00 H new ATOM 158 N ARG A 12 8.811 -5.011 -4.218 1.00 0.00 N ATOM 159 CA ARG A 12 8.789 -6.340 -4.904 1.00 0.00 C ATOM 160 C ARG A 12 8.326 -7.511 -3.963 1.00 0.00 C ATOM 161 O ARG A 12 7.655 -8.454 -4.402 1.00 0.00 O ATOM 162 CB ARG A 12 10.179 -6.611 -5.556 1.00 0.00 C ATOM 163 CG ARG A 12 10.436 -5.835 -6.873 1.00 0.00 C ATOM 164 CD ARG A 12 11.633 -6.377 -7.668 1.00 0.00 C ATOM 165 NE ARG A 12 11.139 -7.474 -8.547 1.00 0.00 N ATOM 166 CZ ARG A 12 11.375 -8.767 -8.377 1.00 0.00 C ATOM 167 NH1 ARG A 12 12.066 -9.249 -7.381 1.00 0.00 N ATOM 168 NH2 ARG A 12 10.891 -9.594 -9.247 1.00 0.00 N ATOM 0 H ARG A 12 9.752 -4.639 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 12 8.036 -6.303 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.958 -6.352 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.270 -7.679 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.543 -5.882 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.608 -4.784 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.085 -5.585 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.404 -6.747 -6.992 1.00 0.00 H new ATOM 0 HE ARG A 12 10.569 -7.206 -9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.458 -8.620 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.215 -10.255 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.346 -9.244 -10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.055 -10.596 -9.145 1.00 0.00 H new ATOM 182 N ILE A 13 8.710 -7.472 -2.677 1.00 0.00 N ATOM 183 CA ILE A 13 8.423 -8.549 -1.678 1.00 0.00 C ATOM 184 C ILE A 13 6.893 -8.564 -1.317 1.00 0.00 C ATOM 185 O ILE A 13 6.292 -9.621 -1.098 1.00 0.00 O ATOM 186 CB ILE A 13 9.358 -8.424 -0.406 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.830 -8.902 -0.621 1.00 0.00 C ATOM 188 CG2 ILE A 13 8.784 -9.183 0.826 1.00 0.00 C ATOM 189 CD1 ILE A 13 11.006 -10.196 -1.441 1.00 0.00 C ATOM 0 H ILE A 13 9.234 -6.690 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 13 8.657 -9.515 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 13 9.379 -7.350 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.382 -8.103 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.290 -9.049 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.461 -9.067 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.808 -8.773 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.681 -10.241 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.067 -10.431 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.491 -11.016 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.585 -10.056 -2.436 1.00 0.00 H new ATOM 201 N PHE A 14 6.277 -7.372 -1.202 1.00 0.00 N ATOM 202 CA PHE A 14 4.807 -7.224 -0.967 1.00 0.00 C ATOM 203 C PHE A 14 3.996 -7.918 -2.120 1.00 0.00 C ATOM 204 O PHE A 14 3.079 -8.709 -1.872 1.00 0.00 O ATOM 205 CB PHE A 14 4.454 -5.707 -0.869 1.00 0.00 C ATOM 206 CG PHE A 14 4.673 -5.017 0.491 1.00 0.00 C ATOM 207 CD1 PHE A 14 5.960 -4.923 1.031 1.00 0.00 C ATOM 208 CD2 PHE A 14 3.596 -4.462 1.193 1.00 0.00 C ATOM 209 CE1 PHE A 14 6.168 -4.285 2.251 1.00 0.00 C ATOM 210 CE2 PHE A 14 3.804 -3.825 2.413 1.00 0.00 C ATOM 211 CZ PHE A 14 5.089 -3.735 2.941 1.00 0.00 C ATOM 0 H PHE A 14 6.771 -6.482 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 14 4.535 -7.712 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.043 -5.175 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.406 -5.586 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.798 -5.348 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.598 -4.529 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.164 -4.216 2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.969 -3.401 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.250 -3.238 3.886 1.00 0.00 H new ATOM 221 N ASP A 15 4.306 -7.585 -3.385 1.00 0.00 N ATOM 222 CA ASP A 15 3.495 -8.003 -4.573 1.00 0.00 C ATOM 223 C ASP A 15 3.767 -9.488 -5.004 1.00 0.00 C ATOM 224 O ASP A 15 4.898 -9.983 -4.924 1.00 0.00 O ATOM 225 CB ASP A 15 3.741 -6.943 -5.692 1.00 0.00 C ATOM 226 CG ASP A 15 2.921 -7.092 -6.971 1.00 0.00 C ATOM 227 OD1 ASP A 15 1.685 -7.268 -6.897 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.507 -7.000 -8.069 1.00 0.00 O ATOM 0 H ASP A 15 5.121 -7.021 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 15 2.432 -8.018 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.543 -5.956 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.797 -6.970 -5.960 1.00 0.00 H new ATOM 233 N LYS A 16 2.737 -10.187 -5.513 1.00 0.00 N ATOM 234 CA LYS A 16 2.792 -11.661 -5.773 1.00 0.00 C ATOM 235 C LYS A 16 3.862 -11.949 -6.886 1.00 0.00 C ATOM 236 O LYS A 16 4.586 -12.950 -6.836 1.00 0.00 O ATOM 237 CB LYS A 16 1.374 -12.227 -6.122 1.00 0.00 C ATOM 238 CG LYS A 16 0.184 -11.864 -5.182 1.00 0.00 C ATOM 239 CD LYS A 16 -0.094 -12.901 -4.075 1.00 0.00 C ATOM 240 CE LYS A 16 0.334 -12.508 -2.653 1.00 0.00 C ATOM 241 NZ LYS A 16 1.785 -12.839 -2.535 1.00 0.00 N ATOM 0 H LYS A 16 1.843 -9.762 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 16 3.103 -12.185 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.119 -11.890 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.449 -13.314 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.386 -10.899 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.716 -11.745 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.163 -13.112 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.412 -13.829 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.164 -11.446 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.249 -13.052 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.943 -13.408 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.087 -13.379 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.338 -11.960 -2.473 1.00 0.00 H new ATOM 255 N ASN A 17 3.964 -11.064 -7.895 1.00 0.00 N ATOM 256 CA ASN A 17 4.570 -11.397 -9.223 1.00 0.00 C ATOM 257 C ASN A 17 5.457 -10.256 -9.839 1.00 0.00 C ATOM 258 O ASN A 17 6.480 -10.516 -10.482 1.00 0.00 O ATOM 259 CB ASN A 17 3.433 -11.824 -10.204 1.00 0.00 C ATOM 260 CG ASN A 17 2.804 -13.228 -10.131 1.00 0.00 C ATOM 261 OD1 ASN A 17 2.991 -14.039 -11.029 1.00 0.00 O ATOM 262 ND2 ASN A 17 2.052 -13.567 -9.116 1.00 0.00 N ATOM 0 H ASN A 17 3.635 -10.101 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 17 5.264 -12.221 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.622 -11.105 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.822 -11.701 -11.215 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.631 -14.495 -9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.886 -12.903 -8.360 1.00 0.00 H new ATOM 269 N ALA A 18 5.097 -8.985 -9.586 1.00 0.00 N ATOM 270 CA ALA A 18 6.038 -7.823 -9.630 1.00 0.00 C ATOM 271 C ALA A 18 6.289 -7.235 -11.066 1.00 0.00 C ATOM 272 O ALA A 18 7.432 -6.988 -11.467 1.00 0.00 O ATOM 273 CB ALA A 18 7.335 -8.315 -8.954 1.00 0.00 C ATOM 0 H ALA A 18 4.142 -8.721 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 18 5.601 -6.974 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.071 -7.511 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.120 -8.614 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.731 -9.168 -9.505 1.00 0.00 H new ATOM 279 N ASP A 19 5.212 -6.987 -11.832 1.00 0.00 N ATOM 280 CA ASP A 19 5.208 -6.006 -12.963 1.00 0.00 C ATOM 281 C ASP A 19 5.340 -4.518 -12.475 1.00 0.00 C ATOM 282 O ASP A 19 5.773 -3.634 -13.222 1.00 0.00 O ATOM 283 CB ASP A 19 3.945 -6.299 -13.827 1.00 0.00 C ATOM 284 CG ASP A 19 3.902 -5.646 -15.209 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.981 -5.347 -15.758 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.799 -5.425 -15.754 1.00 0.00 O ATOM 0 H ASP A 19 4.315 -7.453 -11.695 1.00 0.00 H new ATOM 0 HA ASP A 19 6.092 -6.132 -13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.862 -7.378 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.066 -5.976 -13.269 1.00 0.00 H new ATOM 291 N GLY A 20 4.968 -4.244 -11.212 1.00 0.00 N ATOM 292 CA GLY A 20 5.485 -3.073 -10.433 1.00 0.00 C ATOM 293 C GLY A 20 4.386 -2.192 -9.736 1.00 0.00 C ATOM 294 O GLY A 20 4.622 -1.031 -9.383 1.00 0.00 O ATOM 0 H GLY A 20 4.304 -4.817 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.171 -3.440 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.064 -2.439 -11.104 1.00 0.00 H new ATOM 298 N TYR A 21 3.181 -2.754 -9.530 1.00 0.00 N ATOM 299 CA TYR A 21 2.057 -2.064 -8.823 1.00 0.00 C ATOM 300 C TYR A 21 1.540 -2.905 -7.600 1.00 0.00 C ATOM 301 O TYR A 21 1.881 -4.085 -7.444 1.00 0.00 O ATOM 302 CB TYR A 21 0.863 -1.792 -9.799 1.00 0.00 C ATOM 303 CG TYR A 21 1.183 -1.139 -11.159 1.00 0.00 C ATOM 304 CD1 TYR A 21 2.393 -1.368 -11.810 1.00 0.00 C ATOM 305 CD2 TYR A 21 0.204 -0.349 -11.784 1.00 0.00 C ATOM 306 CE1 TYR A 21 2.649 -0.786 -13.054 1.00 0.00 C ATOM 307 CE2 TYR A 21 0.464 0.232 -13.023 1.00 0.00 C ATOM 308 CZ TYR A 21 1.686 0.033 -13.645 1.00 0.00 C ATOM 309 OH TYR A 21 1.928 0.608 -14.866 1.00 0.00 O ATOM 0 H TYR A 21 2.947 -3.696 -9.843 1.00 0.00 H new ATOM 0 HA TYR A 21 2.449 -1.115 -8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.365 -2.742 -9.992 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.145 -1.155 -9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.138 -2.000 -11.350 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.751 -0.192 -11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.588 -0.969 -13.556 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.290 0.840 -13.501 1.00 0.00 H new ATOM 0 HH TYR A 21 1.154 1.146 -15.133 1.00 0.00 H new ATOM 319 N ILE A 22 0.695 -2.308 -6.741 1.00 0.00 N ATOM 320 CA ILE A 22 -0.125 -3.047 -5.730 1.00 0.00 C ATOM 321 C ILE A 22 -1.647 -2.986 -6.115 1.00 0.00 C ATOM 322 O ILE A 22 -2.079 -2.120 -6.884 1.00 0.00 O ATOM 323 CB ILE A 22 0.155 -2.540 -4.255 1.00 0.00 C ATOM 324 CG1 ILE A 22 1.643 -2.658 -3.792 1.00 0.00 C ATOM 325 CG2 ILE A 22 -0.733 -3.265 -3.202 1.00 0.00 C ATOM 326 CD1 ILE A 22 1.907 -2.395 -2.296 1.00 0.00 C ATOM 0 H ILE A 22 0.552 -1.298 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 22 0.175 -4.095 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.097 -1.481 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.000 -3.659 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.241 -1.958 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.504 -2.883 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.784 -3.085 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.534 -4.336 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.972 -2.505 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.591 -1.383 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.346 -3.111 -1.696 1.00 0.00 H new ATOM 338 N ASP A 23 -2.473 -3.876 -5.535 1.00 0.00 N ATOM 339 CA ASP A 23 -3.965 -3.751 -5.534 1.00 0.00 C ATOM 340 C ASP A 23 -4.565 -3.683 -4.083 1.00 0.00 C ATOM 341 O ASP A 23 -3.947 -4.131 -3.112 1.00 0.00 O ATOM 342 CB ASP A 23 -4.528 -4.903 -6.420 1.00 0.00 C ATOM 343 CG ASP A 23 -3.916 -6.287 -6.202 1.00 0.00 C ATOM 344 OD1 ASP A 23 -2.850 -6.564 -6.786 1.00 0.00 O ATOM 345 OD2 ASP A 23 -4.503 -7.114 -5.472 1.00 0.00 O ATOM 0 H ASP A 23 -2.137 -4.708 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.275 -2.799 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.602 -4.973 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.390 -4.629 -7.466 1.00 0.00 H new ATOM 350 N ILE A 24 -5.790 -3.135 -3.945 1.00 0.00 N ATOM 351 CA ILE A 24 -6.531 -3.123 -2.643 1.00 0.00 C ATOM 352 C ILE A 24 -6.764 -4.593 -2.138 1.00 0.00 C ATOM 353 O ILE A 24 -6.841 -4.850 -0.931 1.00 0.00 O ATOM 354 CB ILE A 24 -7.872 -2.282 -2.724 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.281 -1.567 -1.396 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.080 -3.143 -3.196 1.00 0.00 C ATOM 357 CD1 ILE A 24 -7.162 -0.788 -0.676 1.00 0.00 C ATOM 0 H ILE A 24 -6.296 -2.692 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.914 -2.613 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.636 -1.512 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.095 -0.876 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.675 -2.316 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.975 -2.523 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.874 -3.547 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.238 -3.963 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.560 -0.334 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.353 -1.471 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.780 -0.008 -1.334 1.00 0.00 H new ATOM 369 N GLU A 25 -6.915 -5.555 -3.066 1.00 0.00 N ATOM 370 CA GLU A 25 -7.079 -7.004 -2.728 1.00 0.00 C ATOM 371 C GLU A 25 -5.807 -7.646 -2.066 1.00 0.00 C ATOM 372 O GLU A 25 -5.895 -8.636 -1.332 1.00 0.00 O ATOM 373 CB GLU A 25 -7.616 -7.770 -3.981 1.00 0.00 C ATOM 374 CG GLU A 25 -8.397 -9.106 -3.768 1.00 0.00 C ATOM 375 CD GLU A 25 -9.132 -9.258 -2.442 1.00 0.00 C ATOM 376 OE1 GLU A 25 -10.306 -8.844 -2.355 1.00 0.00 O ATOM 377 OE2 GLU A 25 -8.552 -9.815 -1.488 1.00 0.00 O ATOM 0 H GLU A 25 -6.928 -5.365 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.827 -7.094 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.268 -7.090 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.764 -7.985 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.123 -9.210 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.693 -9.932 -3.865 1.00 0.00 H new ATOM 384 N GLU A 26 -4.613 -7.115 -2.385 1.00 0.00 N ATOM 385 CA GLU A 26 -3.347 -7.391 -1.637 1.00 0.00 C ATOM 386 C GLU A 26 -3.242 -6.638 -0.262 1.00 0.00 C ATOM 387 O GLU A 26 -2.496 -7.044 0.636 1.00 0.00 O ATOM 388 CB GLU A 26 -2.126 -7.175 -2.591 1.00 0.00 C ATOM 389 CG GLU A 26 -1.840 -8.237 -3.699 1.00 0.00 C ATOM 390 CD GLU A 26 -0.531 -8.087 -4.463 1.00 0.00 C ATOM 391 OE1 GLU A 26 0.117 -7.025 -4.353 1.00 0.00 O ATOM 392 OE2 GLU A 26 -0.121 -9.045 -5.150 1.00 0.00 O ATOM 0 H GLU A 26 -4.486 -6.478 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.348 -8.437 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.258 -6.212 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.233 -7.096 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.854 -9.224 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.659 -8.210 -4.417 1.00 0.00 H new ATOM 399 N LEU A 27 -3.955 -5.506 -0.118 1.00 0.00 N ATOM 400 CA LEU A 27 -3.641 -4.456 0.902 1.00 0.00 C ATOM 401 C LEU A 27 -3.937 -4.953 2.362 1.00 0.00 C ATOM 402 O LEU A 27 -3.080 -4.883 3.250 1.00 0.00 O ATOM 403 CB LEU A 27 -4.421 -3.148 0.549 1.00 0.00 C ATOM 404 CG LEU A 27 -4.279 -1.925 1.492 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.390 -0.617 0.691 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.328 -1.910 2.618 1.00 0.00 C ATOM 0 H LEU A 27 -4.764 -5.282 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.573 -4.240 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.111 -2.836 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.480 -3.399 0.489 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.295 -2.008 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.288 0.233 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.600 -0.581 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.361 -0.574 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.177 -1.031 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.327 -1.879 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.224 -2.810 3.225 1.00 0.00 H new ATOM 418 N GLY A 28 -5.159 -5.456 2.612 1.00 0.00 N ATOM 419 CA GLY A 28 -5.551 -6.045 3.932 1.00 0.00 C ATOM 420 C GLY A 28 -4.753 -7.331 4.353 1.00 0.00 C ATOM 421 O GLY A 28 -4.521 -7.582 5.541 1.00 0.00 O ATOM 0 H GLY A 28 -5.907 -5.472 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.420 -5.286 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.613 -6.289 3.902 1.00 0.00 H new ATOM 425 N GLU A 29 -4.313 -8.138 3.371 1.00 0.00 N ATOM 426 CA GLU A 29 -3.483 -9.359 3.611 1.00 0.00 C ATOM 427 C GLU A 29 -1.982 -9.049 3.960 1.00 0.00 C ATOM 428 O GLU A 29 -1.351 -9.751 4.758 1.00 0.00 O ATOM 429 CB GLU A 29 -3.680 -10.361 2.426 1.00 0.00 C ATOM 430 CG GLU A 29 -2.598 -11.461 2.182 1.00 0.00 C ATOM 431 CD GLU A 29 -3.111 -12.848 1.818 1.00 0.00 C ATOM 432 OE1 GLU A 29 -3.338 -13.669 2.730 1.00 0.00 O ATOM 433 OE2 GLU A 29 -3.272 -13.133 0.614 1.00 0.00 O ATOM 0 H GLU A 29 -4.516 -7.973 2.385 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.840 -9.845 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.635 -10.865 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.768 -9.776 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.939 -11.120 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.990 -11.547 3.082 1.00 0.00 H new ATOM 440 N ILE A 30 -1.407 -7.999 3.347 1.00 0.00 N ATOM 441 CA ILE A 30 -0.132 -7.369 3.817 1.00 0.00 C ATOM 442 C ILE A 30 -0.269 -6.920 5.317 1.00 0.00 C ATOM 443 O ILE A 30 0.383 -7.461 6.217 1.00 0.00 O ATOM 444 CB ILE A 30 0.332 -6.192 2.862 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.813 -6.645 1.446 1.00 0.00 C ATOM 446 CG2 ILE A 30 1.460 -5.327 3.497 1.00 0.00 C ATOM 447 CD1 ILE A 30 0.372 -8.054 1.002 1.00 0.00 C ATOM 0 H ILE A 30 -1.799 -7.556 2.516 1.00 0.00 H new ATOM 0 HA ILE A 30 0.661 -8.115 3.770 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.578 -5.605 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.450 -5.924 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.902 -6.602 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.744 -4.534 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.100 -4.886 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.327 -5.955 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.763 -8.260 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.757 -8.794 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.717 -8.105 0.982 1.00 0.00 H new ATOM 459 N LEU A 31 -1.144 -5.935 5.588 1.00 0.00 N ATOM 460 CA LEU A 31 -1.164 -5.176 6.878 1.00 0.00 C ATOM 461 C LEU A 31 -1.545 -6.100 8.090 1.00 0.00 C ATOM 462 O LEU A 31 -1.218 -5.808 9.246 1.00 0.00 O ATOM 463 CB LEU A 31 -2.117 -3.946 6.753 1.00 0.00 C ATOM 464 CG LEU A 31 -3.643 -4.216 6.674 1.00 0.00 C ATOM 465 CD1 LEU A 31 -4.225 -4.406 8.084 1.00 0.00 C ATOM 466 CD2 LEU A 31 -4.416 -3.092 5.963 1.00 0.00 C ATOM 0 H LEU A 31 -1.861 -5.634 4.928 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.158 -4.808 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.936 -3.295 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.829 -3.389 5.861 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.762 -5.125 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.296 -4.595 8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.739 -5.253 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.053 -3.505 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.477 -3.339 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.273 -2.155 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.046 -2.984 4.943 1.00 0.00 H new ATOM 478 N ARG A 32 -2.260 -7.209 7.829 1.00 0.00 N ATOM 479 CA ARG A 32 -2.900 -8.043 8.896 1.00 0.00 C ATOM 480 C ARG A 32 -2.211 -9.452 8.994 1.00 0.00 C ATOM 481 O ARG A 32 -2.360 -10.170 9.988 1.00 0.00 O ATOM 482 CB ARG A 32 -4.413 -8.030 8.528 1.00 0.00 C ATOM 483 CG ARG A 32 -5.372 -8.417 9.675 1.00 0.00 C ATOM 484 CD ARG A 32 -6.267 -9.611 9.291 1.00 0.00 C ATOM 485 NE ARG A 32 -5.771 -10.822 10.004 1.00 0.00 N ATOM 486 CZ ARG A 32 -5.875 -12.073 9.571 1.00 0.00 C ATOM 487 NH1 ARG A 32 -6.424 -12.406 8.437 1.00 0.00 N ATOM 488 NH2 ARG A 32 -5.403 -13.019 10.318 1.00 0.00 N ATOM 0 H ARG A 32 -2.417 -7.561 6.885 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.779 -7.664 9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.676 -7.032 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.574 -8.714 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.793 -8.667 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.997 -7.561 9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.304 -9.410 9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.244 -9.770 8.213 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.312 -10.677 10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.805 -11.685 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.472 -13.387 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.966 -12.793 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.468 -13.990 10.013 1.00 0.00 H new ATOM 502 N ALA A 33 -1.440 -9.840 7.962 1.00 0.00 N ATOM 503 CA ALA A 33 -0.618 -11.092 7.977 1.00 0.00 C ATOM 504 C ALA A 33 0.153 -11.358 9.319 1.00 0.00 C ATOM 505 O ALA A 33 0.934 -10.522 9.786 1.00 0.00 O ATOM 506 CB ALA A 33 0.325 -10.973 6.761 1.00 0.00 C ATOM 0 H ALA A 33 -1.360 -9.309 7.095 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.267 -11.965 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.961 -11.857 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.266 -10.893 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.947 -10.085 6.869 1.00 0.00 H new ATOM 512 N THR A 34 -0.052 -12.539 9.930 1.00 0.00 N ATOM 513 CA THR A 34 0.423 -12.839 11.318 1.00 0.00 C ATOM 514 C THR A 34 1.849 -13.495 11.260 1.00 0.00 C ATOM 515 O THR A 34 2.576 -13.365 10.269 1.00 0.00 O ATOM 516 CB THR A 34 -0.623 -13.723 12.075 1.00 0.00 C ATOM 517 OG1 THR A 34 -1.961 -13.562 11.614 1.00 0.00 O ATOM 518 CG2 THR A 34 -0.669 -13.364 13.568 1.00 0.00 C ATOM 0 H THR A 34 -0.546 -13.315 9.490 1.00 0.00 H new ATOM 0 HA THR A 34 0.515 -11.913 11.886 1.00 0.00 H new ATOM 0 HB THR A 34 -0.286 -14.743 11.891 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.557 -14.144 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.404 -13.993 14.071 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.313 -13.527 14.012 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.949 -12.317 13.682 1.00 0.00 H new ATOM 526 N GLY A 35 2.246 -14.214 12.326 1.00 0.00 N ATOM 527 CA GLY A 35 3.293 -15.283 12.253 1.00 0.00 C ATOM 528 C GLY A 35 3.281 -16.310 13.443 1.00 0.00 C ATOM 529 O GLY A 35 3.715 -17.458 13.303 1.00 0.00 O ATOM 0 H GLY A 35 1.861 -14.082 13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.166 -15.831 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.273 -14.808 12.213 1.00 0.00 H new HETATM 533 N NH2 A 36 2.804 -15.883 14.626 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -14.963 -2.591 12.911 1.00 0.00 C HETATM 538 O ACE B 37 -14.837 -1.367 13.019 1.00 0.00 O HETATM 539 CH3 ACE B 37 -15.956 -3.390 13.834 1.00 0.00 C HETATM 0 H1 ACE B 37 -16.701 -3.892 13.217 1.00 0.00 H new HETATM 0 H2 ACE B 37 -15.401 -4.131 14.409 1.00 0.00 H new HETATM 0 H3 ACE B 37 -16.454 -2.700 14.516 1.00 0.00 H new ATOM 543 N VAL B 38 -14.213 -3.302 12.051 1.00 0.00 N ATOM 544 CA VAL B 38 -13.508 -2.695 10.878 1.00 0.00 C ATOM 545 C VAL B 38 -13.855 -3.537 9.598 1.00 0.00 C ATOM 546 O VAL B 38 -13.209 -4.547 9.299 1.00 0.00 O ATOM 547 CB VAL B 38 -11.965 -2.559 11.153 1.00 0.00 C ATOM 548 CG1 VAL B 38 -11.164 -2.049 9.928 1.00 0.00 C ATOM 549 CG2 VAL B 38 -11.628 -1.599 12.320 1.00 0.00 C ATOM 0 H VAL B 38 -14.071 -4.308 12.137 1.00 0.00 H new ATOM 0 HA VAL B 38 -13.853 -1.675 10.707 1.00 0.00 H new ATOM 0 HB VAL B 38 -11.674 -3.579 11.403 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -10.108 -1.979 10.188 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -11.288 -2.744 9.097 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -11.532 -1.065 9.636 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -10.547 -1.554 12.453 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -12.008 -0.603 12.093 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -12.092 -1.964 13.237 1.00 0.00 H new ATOM 559 N THR B 39 -14.862 -3.098 8.821 1.00 0.00 N ATOM 560 CA THR B 39 -15.409 -3.879 7.667 1.00 0.00 C ATOM 561 C THR B 39 -14.567 -3.578 6.375 1.00 0.00 C ATOM 562 O THR B 39 -13.588 -2.825 6.409 1.00 0.00 O ATOM 563 CB THR B 39 -16.935 -3.584 7.481 1.00 0.00 C ATOM 564 OG1 THR B 39 -17.619 -3.271 8.691 1.00 0.00 O ATOM 565 CG2 THR B 39 -17.666 -4.810 6.913 1.00 0.00 C ATOM 0 H THR B 39 -15.325 -2.200 8.963 1.00 0.00 H new ATOM 0 HA THR B 39 -15.322 -4.947 7.869 1.00 0.00 H new ATOM 0 HB THR B 39 -16.956 -2.725 6.811 1.00 0.00 H new ATOM 0 HG1 THR B 39 -18.564 -3.098 8.497 1.00 0.00 H new ATOM 0 HG21 THR B 39 -18.725 -4.579 6.793 1.00 0.00 H new ATOM 0 HG22 THR B 39 -17.240 -5.071 5.944 1.00 0.00 H new ATOM 0 HG23 THR B 39 -17.553 -5.650 7.598 1.00 0.00 H new ATOM 573 N GLU B 40 -14.954 -4.169 5.231 1.00 0.00 N ATOM 574 CA GLU B 40 -14.300 -3.930 3.907 1.00 0.00 C ATOM 575 C GLU B 40 -14.654 -2.541 3.263 1.00 0.00 C ATOM 576 O GLU B 40 -13.813 -1.895 2.628 1.00 0.00 O ATOM 577 CB GLU B 40 -14.553 -5.162 2.976 1.00 0.00 C ATOM 578 CG GLU B 40 -14.239 -6.592 3.519 1.00 0.00 C ATOM 579 CD GLU B 40 -14.707 -7.761 2.661 1.00 0.00 C ATOM 580 OE1 GLU B 40 -15.606 -7.572 1.816 1.00 0.00 O ATOM 581 OE2 GLU B 40 -14.167 -8.875 2.818 1.00 0.00 O ATOM 0 H GLU B 40 -15.730 -4.830 5.185 1.00 0.00 H new ATOM 0 HA GLU B 40 -13.224 -3.848 4.063 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -15.602 -5.144 2.682 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -13.966 -5.017 2.069 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -13.161 -6.677 3.653 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -14.692 -6.690 4.506 1.00 0.00 H new ATOM 588 N GLU B 41 -15.904 -2.076 3.437 1.00 0.00 N ATOM 589 CA GLU B 41 -16.340 -0.711 3.002 1.00 0.00 C ATOM 590 C GLU B 41 -15.577 0.459 3.720 1.00 0.00 C ATOM 591 O GLU B 41 -15.227 1.471 3.103 1.00 0.00 O ATOM 592 CB GLU B 41 -17.900 -0.618 3.082 1.00 0.00 C ATOM 593 CG GLU B 41 -18.575 0.786 2.974 1.00 0.00 C ATOM 594 CD GLU B 41 -19.992 0.816 2.414 1.00 0.00 C ATOM 595 OE1 GLU B 41 -20.683 -0.223 2.458 1.00 0.00 O ATOM 596 OE2 GLU B 41 -20.421 1.878 1.919 1.00 0.00 O ATOM 0 H GLU B 41 -16.645 -2.621 3.878 1.00 0.00 H new ATOM 0 HA GLU B 41 -16.053 -0.571 1.960 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -18.309 -1.243 2.288 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -18.209 -1.061 4.029 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -18.591 1.235 3.967 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -17.947 1.420 2.348 1.00 0.00 H new ATOM 603 N ASP B 42 -15.347 0.332 5.039 1.00 0.00 N ATOM 604 CA ASP B 42 -14.550 1.320 5.835 1.00 0.00 C ATOM 605 C ASP B 42 -13.032 1.338 5.431 1.00 0.00 C ATOM 606 O ASP B 42 -12.378 2.387 5.442 1.00 0.00 O ATOM 607 CB ASP B 42 -14.822 1.029 7.342 1.00 0.00 C ATOM 608 CG ASP B 42 -16.248 1.276 7.833 1.00 0.00 C ATOM 609 OD1 ASP B 42 -16.897 2.213 7.328 1.00 0.00 O ATOM 610 OD2 ASP B 42 -16.743 0.522 8.699 1.00 0.00 O ATOM 0 H ASP B 42 -15.700 -0.448 5.593 1.00 0.00 H new ATOM 0 HA ASP B 42 -14.867 2.340 5.617 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -14.567 -0.012 7.541 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -14.145 1.642 7.936 1.00 0.00 H new ATOM 615 N ILE B 43 -12.467 0.168 5.084 1.00 0.00 N ATOM 616 CA ILE B 43 -11.107 0.055 4.470 1.00 0.00 C ATOM 617 C ILE B 43 -11.126 0.613 3.001 1.00 0.00 C ATOM 618 O ILE B 43 -10.133 1.162 2.511 1.00 0.00 O ATOM 619 CB ILE B 43 -10.535 -1.421 4.560 1.00 0.00 C ATOM 620 CG1 ILE B 43 -9.970 -1.818 5.962 1.00 0.00 C ATOM 621 CG2 ILE B 43 -9.426 -1.692 3.501 1.00 0.00 C ATOM 622 CD1 ILE B 43 -10.067 -3.311 6.331 1.00 0.00 C ATOM 0 H ILE B 43 -12.929 -0.732 5.216 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.417 0.671 5.046 1.00 0.00 H new ATOM 0 HB ILE B 43 -11.411 -2.039 4.363 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -8.922 -1.520 6.007 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -10.498 -1.241 6.721 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -9.067 -2.716 3.604 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -9.835 -1.550 2.501 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -8.598 -1.000 3.656 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -9.645 -3.469 7.324 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -11.112 -3.619 6.328 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -9.512 -3.903 5.603 1.00 0.00 H new ATOM 634 N GLU B 44 -12.239 0.411 2.275 1.00 0.00 N ATOM 635 CA GLU B 44 -12.436 0.935 0.887 1.00 0.00 C ATOM 636 C GLU B 44 -12.627 2.493 0.820 1.00 0.00 C ATOM 637 O GLU B 44 -12.198 3.153 -0.133 1.00 0.00 O ATOM 638 CB GLU B 44 -13.562 0.111 0.179 1.00 0.00 C ATOM 639 CG GLU B 44 -13.153 -1.067 -0.760 1.00 0.00 C ATOM 640 CD GLU B 44 -13.820 -1.106 -2.130 1.00 0.00 C ATOM 641 OE1 GLU B 44 -14.977 -1.563 -2.223 1.00 0.00 O ATOM 642 OE2 GLU B 44 -13.177 -0.720 -3.128 1.00 0.00 O ATOM 0 H GLU B 44 -13.037 -0.120 2.624 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.514 0.786 0.325 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -14.211 -0.295 0.955 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -14.162 0.807 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -12.074 -1.028 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -13.371 -2.004 -0.247 1.00 0.00 H new ATOM 649 N ASP B 45 -13.276 3.081 1.841 1.00 0.00 N ATOM 650 CA ASP B 45 -13.291 4.561 2.069 1.00 0.00 C ATOM 651 C ASP B 45 -11.872 5.133 2.424 1.00 0.00 C ATOM 652 O ASP B 45 -11.458 6.182 1.918 1.00 0.00 O ATOM 653 CB ASP B 45 -14.397 4.857 3.126 1.00 0.00 C ATOM 654 CG ASP B 45 -15.841 4.818 2.625 1.00 0.00 C ATOM 655 OD1 ASP B 45 -16.110 4.098 1.643 1.00 0.00 O ATOM 656 OD2 ASP B 45 -16.716 5.494 3.208 1.00 0.00 O ATOM 0 H ASP B 45 -13.807 2.557 2.536 1.00 0.00 H new ATOM 0 HA ASP B 45 -13.540 5.092 1.150 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -14.297 4.136 3.937 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -14.209 5.843 3.551 1.00 0.00 H new ATOM 661 N LEU B 46 -11.113 4.428 3.283 1.00 0.00 N ATOM 662 CA LEU B 46 -9.661 4.710 3.516 1.00 0.00 C ATOM 663 C LEU B 46 -8.813 4.784 2.197 1.00 0.00 C ATOM 664 O LEU B 46 -7.974 5.673 2.016 1.00 0.00 O ATOM 665 CB LEU B 46 -9.098 3.646 4.520 1.00 0.00 C ATOM 666 CG LEU B 46 -7.619 3.746 4.969 1.00 0.00 C ATOM 667 CD1 LEU B 46 -7.318 5.138 5.542 1.00 0.00 C ATOM 668 CD2 LEU B 46 -7.235 2.677 6.003 1.00 0.00 C ATOM 0 H LEU B 46 -11.473 3.651 3.837 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.575 5.707 3.948 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -9.717 3.680 5.417 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.240 2.663 4.071 1.00 0.00 H new ATOM 0 HG LEU B 46 -7.018 3.573 4.076 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.274 5.186 5.851 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -7.506 5.894 4.779 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.960 5.324 6.403 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.188 2.798 6.279 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -7.859 2.788 6.890 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.385 1.686 5.575 1.00 0.00 H new ATOM 680 N MET B 47 -8.996 3.804 1.289 1.00 0.00 N ATOM 681 CA MET B 47 -8.201 3.699 0.025 1.00 0.00 C ATOM 682 C MET B 47 -8.564 4.836 -0.998 1.00 0.00 C ATOM 683 O MET B 47 -7.692 5.394 -1.673 1.00 0.00 O ATOM 684 CB MET B 47 -8.410 2.293 -0.599 1.00 0.00 C ATOM 685 CG MET B 47 -8.081 2.191 -2.100 1.00 0.00 C ATOM 686 SD MET B 47 -6.361 2.631 -2.388 1.00 0.00 S ATOM 687 CE MET B 47 -6.083 1.652 -3.870 1.00 0.00 C ATOM 0 H MET B 47 -9.690 3.064 1.399 1.00 0.00 H new ATOM 0 HA MET B 47 -7.147 3.831 0.270 1.00 0.00 H new ATOM 0 HB2 MET B 47 -7.792 1.576 -0.058 1.00 0.00 H new ATOM 0 HB3 MET B 47 -9.448 1.996 -0.449 1.00 0.00 H new ATOM 0 HG2 MET B 47 -8.269 1.177 -2.453 1.00 0.00 H new ATOM 0 HG3 MET B 47 -8.734 2.853 -2.669 1.00 0.00 H new ATOM 0 HE1 MET B 47 -5.532 0.748 -3.611 1.00 0.00 H new ATOM 0 HE2 MET B 47 -7.042 1.379 -4.311 1.00 0.00 H new ATOM 0 HE3 MET B 47 -5.507 2.235 -4.588 1.00 0.00 H new ATOM 697 N LYS B 48 -9.867 5.132 -1.157 1.00 0.00 N ATOM 698 CA LYS B 48 -10.382 6.073 -2.201 1.00 0.00 C ATOM 699 C LYS B 48 -10.330 7.552 -1.676 1.00 0.00 C ATOM 700 O LYS B 48 -10.421 8.509 -2.458 1.00 0.00 O ATOM 701 CB LYS B 48 -11.804 5.573 -2.624 1.00 0.00 C ATOM 702 CG LYS B 48 -11.936 4.087 -3.070 1.00 0.00 C ATOM 703 CD LYS B 48 -11.397 3.772 -4.494 1.00 0.00 C ATOM 704 CE LYS B 48 -12.176 4.409 -5.667 1.00 0.00 C ATOM 705 NZ LYS B 48 -11.322 4.462 -6.889 1.00 0.00 N ATOM 0 H LYS B 48 -10.601 4.733 -0.573 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.759 6.080 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.481 5.735 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.153 6.203 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -11.407 3.461 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.988 3.803 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.360 4.102 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.395 2.690 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.077 3.831 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.497 5.415 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.859 4.892 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.474 5.033 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.037 3.498 -7.155 1.00 0.00 H new ATOM 719 N ASP B 49 -10.228 7.761 -0.347 1.00 0.00 N ATOM 720 CA ASP B 49 -9.680 9.036 0.222 1.00 0.00 C ATOM 721 C ASP B 49 -8.150 9.223 -0.087 1.00 0.00 C ATOM 722 O ASP B 49 -7.728 10.230 -0.666 1.00 0.00 O ATOM 723 CB ASP B 49 -10.046 9.088 1.736 1.00 0.00 C ATOM 724 CG ASP B 49 -9.838 10.429 2.439 1.00 0.00 C ATOM 725 OD1 ASP B 49 -10.135 11.474 1.826 1.00 0.00 O ATOM 726 OD2 ASP B 49 -9.387 10.454 3.604 1.00 0.00 O ATOM 0 H ASP B 49 -10.511 7.078 0.356 1.00 0.00 H new ATOM 0 HA ASP B 49 -10.140 9.896 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -11.093 8.804 1.845 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -9.455 8.334 2.256 1.00 0.00 H new ATOM 731 N SER B 50 -7.309 8.265 0.346 1.00 0.00 N ATOM 732 CA SER B 50 -5.820 8.371 0.236 1.00 0.00 C ATOM 733 C SER B 50 -5.337 8.624 -1.238 1.00 0.00 C ATOM 734 O SER B 50 -4.362 9.346 -1.478 1.00 0.00 O ATOM 735 CB SER B 50 -5.185 7.066 0.808 1.00 0.00 C ATOM 736 OG SER B 50 -5.153 7.060 2.242 1.00 0.00 O ATOM 0 H SER B 50 -7.627 7.398 0.780 1.00 0.00 H new ATOM 0 HA SER B 50 -5.495 9.237 0.813 1.00 0.00 H new ATOM 0 HB2 SER B 50 -5.752 6.204 0.456 1.00 0.00 H new ATOM 0 HB3 SER B 50 -4.171 6.959 0.424 1.00 0.00 H new ATOM 0 HG SER B 50 -5.982 6.666 2.586 1.00 0.00 H new ATOM 742 N ASP B 51 -6.063 8.080 -2.230 1.00 0.00 N ATOM 743 CA ASP B 51 -5.600 8.014 -3.652 1.00 0.00 C ATOM 744 C ASP B 51 -5.730 9.392 -4.396 1.00 0.00 C ATOM 745 O ASP B 51 -6.833 9.842 -4.723 1.00 0.00 O ATOM 746 CB ASP B 51 -6.355 6.832 -4.333 1.00 0.00 C ATOM 747 CG ASP B 51 -5.811 6.369 -5.685 1.00 0.00 C ATOM 748 OD1 ASP B 51 -6.197 6.959 -6.714 1.00 0.00 O ATOM 749 OD2 ASP B 51 -4.998 5.421 -5.733 1.00 0.00 O ATOM 0 H ASP B 51 -6.986 7.671 -2.083 1.00 0.00 H new ATOM 0 HA ASP B 51 -4.529 7.815 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -6.345 5.982 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -7.397 7.123 -4.465 1.00 0.00 H new ATOM 754 N LYS B 52 -4.601 10.093 -4.605 1.00 0.00 N ATOM 755 CA LYS B 52 -4.582 11.445 -5.248 1.00 0.00 C ATOM 756 C LYS B 52 -5.293 11.382 -6.648 1.00 0.00 C ATOM 757 O LYS B 52 -6.495 11.641 -6.769 1.00 0.00 O ATOM 758 CB LYS B 52 -3.095 11.928 -5.279 1.00 0.00 C ATOM 759 CG LYS B 52 -2.451 12.349 -3.924 1.00 0.00 C ATOM 760 CD LYS B 52 -3.454 12.813 -2.830 1.00 0.00 C ATOM 761 CE LYS B 52 -2.828 13.443 -1.565 1.00 0.00 C ATOM 762 NZ LYS B 52 -1.639 12.656 -1.129 1.00 0.00 N ATOM 0 H LYS B 52 -3.677 9.753 -4.340 1.00 0.00 H new ATOM 0 HA LYS B 52 -5.150 12.186 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -2.490 11.128 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -3.030 12.776 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -1.878 11.507 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -1.744 13.157 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -4.136 13.538 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -4.054 11.955 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -2.536 14.473 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -3.566 13.475 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -1.320 12.995 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -1.894 11.650 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -0.872 12.773 -1.822 1.00 0.00 H new ATOM 776 N ASN B 53 -4.548 11.015 -7.706 1.00 0.00 N ATOM 777 CA ASN B 53 -5.006 11.160 -9.124 1.00 0.00 C ATOM 778 C ASN B 53 -6.235 10.249 -9.479 1.00 0.00 C ATOM 779 O ASN B 53 -6.795 10.332 -10.580 1.00 0.00 O ATOM 780 CB ASN B 53 -3.781 10.886 -10.052 1.00 0.00 C ATOM 781 CG ASN B 53 -3.094 9.529 -9.877 1.00 0.00 C ATOM 782 OD1 ASN B 53 -2.138 9.395 -9.122 1.00 0.00 O ATOM 783 ND2 ASN B 53 -3.572 8.496 -10.521 1.00 0.00 N ATOM 0 H ASN B 53 -3.616 10.611 -7.617 1.00 0.00 H new ATOM 0 HA ASN B 53 -5.373 12.175 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -4.109 10.974 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -3.042 11.669 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -3.149 7.576 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.368 8.610 -11.149 1.00 0.00 H new ATOM 790 N ASN B 54 -6.698 9.423 -8.525 1.00 0.00 N ATOM 791 CA ASN B 54 -7.978 8.656 -8.642 1.00 0.00 C ATOM 792 C ASN B 54 -8.014 7.695 -9.885 1.00 0.00 C ATOM 793 O ASN B 54 -8.565 8.030 -10.939 1.00 0.00 O ATOM 794 CB ASN B 54 -9.153 9.683 -8.656 1.00 0.00 C ATOM 795 CG ASN B 54 -9.561 10.257 -7.296 1.00 0.00 C ATOM 796 OD1 ASN B 54 -10.015 9.538 -6.414 1.00 0.00 O ATOM 797 ND2 ASN B 54 -9.371 11.531 -7.070 1.00 0.00 N ATOM 0 H ASN B 54 -6.206 9.259 -7.647 1.00 0.00 H new ATOM 0 HA ASN B 54 -8.072 7.991 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.878 10.511 -9.309 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.024 9.202 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -9.601 11.927 -6.159 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -8.993 12.129 -7.805 1.00 0.00 H new ATOM 804 N ASP B 55 -7.457 6.479 -9.745 1.00 0.00 N ATOM 805 CA ASP B 55 -7.552 5.395 -10.772 1.00 0.00 C ATOM 806 C ASP B 55 -7.783 3.976 -10.138 1.00 0.00 C ATOM 807 O ASP B 55 -8.145 3.017 -10.834 1.00 0.00 O ATOM 808 CB ASP B 55 -6.291 5.505 -11.682 1.00 0.00 C ATOM 809 CG ASP B 55 -5.170 4.502 -11.412 1.00 0.00 C ATOM 810 OD1 ASP B 55 -4.365 4.745 -10.490 1.00 0.00 O ATOM 811 OD2 ASP B 55 -5.061 3.487 -12.132 1.00 0.00 O ATOM 0 H ASP B 55 -6.924 6.207 -8.919 1.00 0.00 H new ATOM 0 HA ASP B 55 -8.439 5.527 -11.391 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -6.607 5.393 -12.719 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -5.882 6.510 -11.580 1.00 0.00 H new ATOM 816 N GLY B 56 -7.517 3.817 -8.829 1.00 0.00 N ATOM 817 CA GLY B 56 -7.986 2.635 -8.035 1.00 0.00 C ATOM 818 C GLY B 56 -6.932 1.481 -7.871 1.00 0.00 C ATOM 819 O GLY B 56 -7.251 0.386 -7.396 1.00 0.00 O ATOM 0 H GLY B 56 -6.977 4.489 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.284 2.978 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -8.877 2.227 -8.512 1.00 0.00 H new ATOM 823 N ARG B 57 -5.676 1.722 -8.284 1.00 0.00 N ATOM 824 CA ARG B 57 -4.507 0.845 -7.962 1.00 0.00 C ATOM 825 C ARG B 57 -3.151 1.625 -7.808 1.00 0.00 C ATOM 826 O ARG B 57 -2.943 2.674 -8.430 1.00 0.00 O ATOM 827 CB ARG B 57 -4.431 -0.259 -9.056 1.00 0.00 C ATOM 828 CG ARG B 57 -4.586 0.273 -10.501 1.00 0.00 C ATOM 829 CD ARG B 57 -4.406 -0.819 -11.567 1.00 0.00 C ATOM 830 NE ARG B 57 -4.948 -2.082 -10.994 1.00 0.00 N ATOM 831 CZ ARG B 57 -6.204 -2.492 -10.984 1.00 0.00 C ATOM 832 NH1 ARG B 57 -7.191 -1.791 -11.451 1.00 0.00 N ATOM 833 NH2 ARG B 57 -6.468 -3.651 -10.482 1.00 0.00 N ATOM 0 H ARG B 57 -5.428 2.531 -8.854 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.663 0.399 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.475 -0.775 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -5.210 -0.998 -8.867 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -5.573 0.722 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -3.855 1.063 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -4.934 -0.554 -12.483 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -3.354 -0.934 -11.827 1.00 0.00 H new ATOM 0 HE ARG B 57 -4.269 -2.705 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -7.017 -0.870 -11.853 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -8.141 -2.161 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -5.715 -4.227 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -7.429 -3.991 -10.462 1.00 0.00 H new ATOM 847 N ILE B 58 -2.217 1.102 -6.996 1.00 0.00 N ATOM 848 CA ILE B 58 -1.129 1.904 -6.351 1.00 0.00 C ATOM 849 C ILE B 58 0.243 1.623 -7.058 1.00 0.00 C ATOM 850 O ILE B 58 0.486 0.528 -7.577 1.00 0.00 O ATOM 851 CB ILE B 58 -1.079 1.671 -4.783 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.299 2.271 -4.010 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.225 2.225 -4.138 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.330 2.018 -2.490 1.00 0.00 C ATOM 0 H ILE B 58 -2.183 0.110 -6.759 1.00 0.00 H new ATOM 0 HA ILE B 58 -1.350 2.963 -6.483 1.00 0.00 H new ATOM 0 HB ILE B 58 -1.111 0.586 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.316 3.348 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -3.213 1.866 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.207 2.039 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE B 58 1.089 1.727 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.293 3.298 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -3.220 2.480 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.351 0.945 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.441 2.450 -2.031 1.00 0.00 H new ATOM 866 N ASP B 59 1.166 2.603 -7.038 1.00 0.00 N ATOM 867 CA ASP B 59 2.567 2.447 -7.544 1.00 0.00 C ATOM 868 C ASP B 59 3.644 2.656 -6.421 1.00 0.00 C ATOM 869 O ASP B 59 3.324 2.693 -5.226 1.00 0.00 O ATOM 870 CB ASP B 59 2.723 3.388 -8.777 1.00 0.00 C ATOM 871 CG ASP B 59 2.610 4.887 -8.501 1.00 0.00 C ATOM 872 OD1 ASP B 59 2.611 5.301 -7.322 1.00 0.00 O ATOM 873 OD2 ASP B 59 2.537 5.667 -9.473 1.00 0.00 O ATOM 0 H ASP B 59 0.972 3.535 -6.671 1.00 0.00 H new ATOM 0 HA ASP B 59 2.749 1.421 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.694 3.196 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP B 59 1.966 3.117 -9.513 1.00 0.00 H new ATOM 878 N PHE B 60 4.927 2.796 -6.800 1.00 0.00 N ATOM 879 CA PHE B 60 6.072 2.919 -5.844 1.00 0.00 C ATOM 880 C PHE B 60 5.982 4.227 -4.980 1.00 0.00 C ATOM 881 O PHE B 60 6.219 4.225 -3.765 1.00 0.00 O ATOM 882 CB PHE B 60 7.417 2.843 -6.638 1.00 0.00 C ATOM 883 CG PHE B 60 8.722 2.648 -5.833 1.00 0.00 C ATOM 884 CD1 PHE B 60 8.697 2.318 -4.473 1.00 0.00 C ATOM 885 CD2 PHE B 60 9.957 2.811 -6.472 1.00 0.00 C ATOM 886 CE1 PHE B 60 9.888 2.148 -3.766 1.00 0.00 C ATOM 887 CE2 PHE B 60 11.145 2.641 -5.766 1.00 0.00 C ATOM 888 CZ PHE B 60 11.109 2.297 -4.417 1.00 0.00 C ATOM 0 H PHE B 60 5.213 2.829 -7.779 1.00 0.00 H new ATOM 0 HA PHE B 60 6.027 2.089 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.338 2.023 -7.351 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.516 3.761 -7.218 1.00 0.00 H new ATOM 0 HD1 PHE B 60 7.750 2.194 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE B 60 9.988 3.070 -7.520 1.00 0.00 H new ATOM 0 HE1 PHE B 60 9.862 1.901 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE B 60 12.094 2.776 -6.264 1.00 0.00 H new ATOM 0 HZ PHE B 60 12.031 2.146 -3.875 1.00 0.00 H new ATOM 898 N ASP B 61 5.554 5.346 -5.590 1.00 0.00 N ATOM 899 CA ASP B 61 5.249 6.618 -4.867 1.00 0.00 C ATOM 900 C ASP B 61 4.305 6.361 -3.624 1.00 0.00 C ATOM 901 O ASP B 61 4.691 6.235 -2.463 1.00 0.00 O ATOM 902 CB ASP B 61 4.574 7.591 -5.887 1.00 0.00 C ATOM 903 CG ASP B 61 3.596 8.643 -5.323 1.00 0.00 C ATOM 904 OD1 ASP B 61 3.930 9.259 -4.293 1.00 0.00 O ATOM 905 OD2 ASP B 61 2.513 8.844 -5.911 1.00 0.00 O ATOM 0 H ASP B 61 5.406 5.406 -6.597 1.00 0.00 H new ATOM 0 HA ASP B 61 6.168 7.054 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP B 61 5.363 8.118 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP B 61 4.036 6.990 -6.621 1.00 0.00 H new ATOM 910 N GLU B 62 2.970 6.330 -3.937 1.00 0.00 N ATOM 911 CA GLU B 62 1.882 5.859 -3.033 1.00 0.00 C ATOM 912 C GLU B 62 2.350 4.798 -1.975 1.00 0.00 C ATOM 913 O GLU B 62 1.854 4.797 -0.832 1.00 0.00 O ATOM 914 CB GLU B 62 0.639 5.420 -3.882 1.00 0.00 C ATOM 915 CG GLU B 62 -0.145 6.506 -4.684 1.00 0.00 C ATOM 916 CD GLU B 62 -1.553 6.135 -5.133 1.00 0.00 C ATOM 917 OE1 GLU B 62 -1.692 5.264 -6.015 1.00 0.00 O ATOM 918 OE2 GLU B 62 -2.528 6.724 -4.622 1.00 0.00 O ATOM 0 H GLU B 62 2.620 6.639 -4.844 1.00 0.00 H new ATOM 0 HA GLU B 62 1.573 6.699 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU B 62 0.974 4.664 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -0.066 4.934 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -0.208 7.404 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.438 6.765 -5.568 1.00 0.00 H new ATOM 925 N PHE B 63 3.291 3.902 -2.322 1.00 0.00 N ATOM 926 CA PHE B 63 3.885 2.932 -1.343 1.00 0.00 C ATOM 927 C PHE B 63 4.623 3.667 -0.166 1.00 0.00 C ATOM 928 O PHE B 63 4.295 3.488 1.012 1.00 0.00 O ATOM 929 CB PHE B 63 4.841 1.953 -2.096 1.00 0.00 C ATOM 930 CG PHE B 63 5.392 0.734 -1.317 1.00 0.00 C ATOM 931 CD1 PHE B 63 4.580 -0.374 -1.056 1.00 0.00 C ATOM 932 CD2 PHE B 63 6.717 0.733 -0.842 1.00 0.00 C ATOM 933 CE1 PHE B 63 5.084 -1.476 -0.370 1.00 0.00 C ATOM 934 CE2 PHE B 63 7.222 -0.376 -0.165 1.00 0.00 C ATOM 935 CZ PHE B 63 6.407 -1.483 0.071 1.00 0.00 C ATOM 0 H PHE B 63 3.666 3.818 -3.267 1.00 0.00 H new ATOM 0 HA PHE B 63 3.077 2.358 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.313 1.578 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.692 2.530 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE B 63 3.553 -0.375 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE B 63 7.346 1.596 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE B 63 4.448 -2.328 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE B 63 8.246 -0.378 0.177 1.00 0.00 H new ATOM 0 HZ PHE B 63 6.799 -2.343 0.594 1.00 0.00 H new ATOM 945 N LEU B 64 5.594 4.535 -0.501 1.00 0.00 N ATOM 946 CA LEU B 64 6.343 5.392 0.471 1.00 0.00 C ATOM 947 C LEU B 64 5.374 6.189 1.417 1.00 0.00 C ATOM 948 O LEU B 64 5.590 6.269 2.633 1.00 0.00 O ATOM 949 CB LEU B 64 7.318 6.327 -0.313 1.00 0.00 C ATOM 950 CG LEU B 64 8.614 5.693 -0.888 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.145 6.533 -2.060 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.726 5.540 0.163 1.00 0.00 C ATOM 0 H LEU B 64 5.894 4.672 -1.466 1.00 0.00 H new ATOM 0 HA LEU B 64 6.933 4.754 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.765 6.771 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.608 7.142 0.350 1.00 0.00 H new ATOM 0 HG LEU B 64 8.340 4.694 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.054 6.076 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.392 6.577 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.367 7.542 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.605 5.091 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU B 64 9.986 6.520 0.562 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.376 4.900 0.973 1.00 0.00 H new ATOM 964 N LYS B 65 4.280 6.747 0.870 1.00 0.00 N ATOM 965 CA LYS B 65 3.466 7.802 1.554 1.00 0.00 C ATOM 966 C LYS B 65 2.204 7.145 2.223 1.00 0.00 C ATOM 967 O LYS B 65 1.472 7.794 2.978 1.00 0.00 O ATOM 968 CB LYS B 65 3.212 8.845 0.418 1.00 0.00 C ATOM 969 CG LYS B 65 1.868 9.614 0.398 1.00 0.00 C ATOM 970 CD LYS B 65 2.058 11.012 1.040 1.00 0.00 C ATOM 971 CE LYS B 65 0.794 11.723 1.547 1.00 0.00 C ATOM 972 NZ LYS B 65 1.149 13.143 1.878 1.00 0.00 N ATOM 0 H LYS B 65 3.926 6.491 -0.052 1.00 0.00 H new ATOM 0 HA LYS B 65 3.935 8.308 2.398 1.00 0.00 H new ATOM 0 HB2 LYS B 65 4.014 9.582 0.462 1.00 0.00 H new ATOM 0 HB3 LYS B 65 3.309 8.325 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS B 65 1.513 9.719 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS B 65 1.109 9.053 0.943 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.748 10.909 1.877 1.00 0.00 H new ATOM 0 HD3 LYS B 65 2.540 11.659 0.307 1.00 0.00 H new ATOM 0 HE2 LYS B 65 0.013 11.695 0.788 1.00 0.00 H new ATOM 0 HE3 LYS B 65 0.401 11.215 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 0.304 13.641 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 1.883 13.155 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 1.507 13.619 1.025 1.00 0.00 H new ATOM 986 N MET B 66 1.938 5.858 1.933 1.00 0.00 N ATOM 987 CA MET B 66 0.958 5.029 2.705 1.00 0.00 C ATOM 988 C MET B 66 1.581 4.246 3.916 1.00 0.00 C ATOM 989 O MET B 66 0.957 4.099 4.973 1.00 0.00 O ATOM 990 CB MET B 66 0.267 4.051 1.709 1.00 0.00 C ATOM 991 CG MET B 66 -0.480 2.856 2.344 1.00 0.00 C ATOM 992 SD MET B 66 0.496 1.353 2.179 1.00 0.00 S ATOM 993 CE MET B 66 0.347 1.134 0.399 1.00 0.00 C ATOM 0 H MET B 66 2.385 5.355 1.166 1.00 0.00 H new ATOM 0 HA MET B 66 0.238 5.709 3.160 1.00 0.00 H new ATOM 0 HB2 MET B 66 -0.442 4.618 1.106 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.024 3.661 1.029 1.00 0.00 H new ATOM 0 HG2 MET B 66 -0.675 3.058 3.397 1.00 0.00 H new ATOM 0 HG3 MET B 66 -1.448 2.724 1.860 1.00 0.00 H new ATOM 0 HE1 MET B 66 -0.176 0.201 0.190 1.00 0.00 H new ATOM 0 HE2 MET B 66 -0.214 1.967 -0.024 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.341 1.101 -0.048 1.00 0.00 H new ATOM 1003 N MET B 67 2.790 3.685 3.737 1.00 0.00 N ATOM 1004 CA MET B 67 3.674 3.248 4.863 1.00 0.00 C ATOM 1005 C MET B 67 3.786 4.378 5.949 1.00 0.00 C ATOM 1006 O MET B 67 3.501 4.160 7.132 1.00 0.00 O ATOM 1007 CB MET B 67 5.085 2.877 4.323 1.00 0.00 C ATOM 1008 CG MET B 67 6.222 2.893 5.367 1.00 0.00 C ATOM 1009 SD MET B 67 7.050 1.293 5.384 1.00 0.00 S ATOM 1010 CE MET B 67 8.343 1.616 4.173 1.00 0.00 C ATOM 0 H MET B 67 3.193 3.517 2.815 1.00 0.00 H new ATOM 0 HA MET B 67 3.232 2.367 5.328 1.00 0.00 H new ATOM 0 HB2 MET B 67 5.035 1.882 3.881 1.00 0.00 H new ATOM 0 HB3 MET B 67 5.342 3.570 3.521 1.00 0.00 H new ATOM 0 HG2 MET B 67 6.937 3.681 5.129 1.00 0.00 H new ATOM 0 HG3 MET B 67 5.819 3.116 6.355 1.00 0.00 H new ATOM 0 HE1 MET B 67 8.590 0.693 3.649 1.00 0.00 H new ATOM 0 HE2 MET B 67 7.992 2.358 3.455 1.00 0.00 H new ATOM 0 HE3 MET B 67 9.231 1.993 4.680 1.00 0.00 H new ATOM 1020 N GLU B 68 4.170 5.599 5.538 1.00 0.00 N ATOM 1021 CA GLU B 68 3.962 6.843 6.343 1.00 0.00 C ATOM 1022 C GLU B 68 2.488 7.034 6.851 1.00 0.00 C ATOM 1023 O GLU B 68 2.246 7.301 8.033 1.00 0.00 O ATOM 1024 CB GLU B 68 4.545 8.064 5.559 1.00 0.00 C ATOM 1025 CG GLU B 68 5.252 9.203 6.359 1.00 0.00 C ATOM 1026 CD GLU B 68 6.504 9.800 5.728 1.00 0.00 C ATOM 1027 OE1 GLU B 68 6.665 9.703 4.494 1.00 0.00 O ATOM 1028 OE2 GLU B 68 7.350 10.342 6.467 1.00 0.00 O ATOM 0 H GLU B 68 4.633 5.765 4.644 1.00 0.00 H new ATOM 0 HA GLU B 68 4.518 6.750 7.276 1.00 0.00 H new ATOM 0 HB2 GLU B 68 5.260 7.679 4.832 1.00 0.00 H new ATOM 0 HB3 GLU B 68 3.728 8.515 4.995 1.00 0.00 H new ATOM 0 HG2 GLU B 68 4.533 10.007 6.516 1.00 0.00 H new ATOM 0 HG3 GLU B 68 5.517 8.815 7.343 1.00 0.00 H new ATOM 1035 N GLY B 69 1.496 6.841 5.962 1.00 0.00 N ATOM 1036 CA GLY B 69 0.060 6.673 6.355 1.00 0.00 C ATOM 1037 C GLY B 69 -0.461 7.690 7.434 1.00 0.00 C ATOM 1038 O GLY B 69 -0.657 8.877 7.152 1.00 0.00 O ATOM 0 H GLY B 69 1.652 6.795 4.955 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -0.558 6.767 5.462 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -0.080 5.661 6.735 1.00 0.00 H new ATOM 1042 N VAL B 70 -0.746 7.206 8.655 1.00 0.00 N ATOM 1043 CA VAL B 70 -1.577 7.939 9.662 1.00 0.00 C ATOM 1044 C VAL B 70 -0.615 8.655 10.676 1.00 0.00 C ATOM 1045 O VAL B 70 0.475 8.160 10.984 1.00 0.00 O ATOM 1046 CB VAL B 70 -2.620 6.978 10.343 1.00 0.00 C ATOM 1047 CG1 VAL B 70 -3.668 7.721 11.209 1.00 0.00 C ATOM 1048 CG2 VAL B 70 -3.423 6.123 9.332 1.00 0.00 C ATOM 0 H VAL B 70 -0.414 6.299 8.984 1.00 0.00 H new ATOM 0 HA VAL B 70 -2.179 8.708 9.178 1.00 0.00 H new ATOM 0 HB VAL B 70 -1.991 6.342 10.966 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -4.355 6.998 11.648 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -3.161 8.269 12.003 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -4.226 8.420 10.585 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -4.123 5.484 9.871 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -3.975 6.779 8.658 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.737 5.503 8.754 1.00 0.00 H new ATOM 1058 N GLN B 71 -1.050 9.792 11.248 1.00 0.00 N ATOM 1059 CA GLN B 71 -0.141 10.815 11.853 1.00 0.00 C ATOM 1060 C GLN B 71 0.253 10.450 13.330 1.00 0.00 C ATOM 1061 O GLN B 71 1.366 10.734 13.786 1.00 0.00 O ATOM 1062 CB GLN B 71 -0.816 12.205 11.685 1.00 0.00 C ATOM 1063 CG GLN B 71 -0.067 13.369 12.396 1.00 0.00 C ATOM 1064 CD GLN B 71 -0.681 14.763 12.253 1.00 0.00 C ATOM 1065 OE1 GLN B 71 -1.234 15.336 13.182 1.00 0.00 O ATOM 1066 NE2 GLN B 71 -0.608 15.356 11.089 1.00 0.00 N ATOM 0 H GLN B 71 -2.038 10.039 11.310 1.00 0.00 H new ATOM 0 HA GLN B 71 0.818 10.841 11.335 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.892 12.433 10.622 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.833 12.152 12.073 1.00 0.00 H new ATOM 0 HG2 GLN B 71 0.001 13.133 13.458 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.952 13.404 12.012 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.150 14.889 10.307 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.009 16.285 10.964 1.00 0.00 H new HETATM 1075 N NH2 B 72 -0.679 9.848 14.090 1.00 0.00 N TER 1078 NH2 B 72