USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 hydrogens (24 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 167 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 187 MET CE :methyl -130:sc= 0 (180deg=-1.55!) USER MOD Set 2.1: A 163 ASN : amide:sc= 0.978 K(o=2.2,f=-4.3) USER MOD Set 2.2: A 164 LYS NZ :NH3+ -144:sc= 1.22 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN :FLIP amide:sc= -1.87! C(o=-4.8!,f=-1.9!) USER MOD Single : A 173 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 176 THR OG1 : rot -150:sc= -1.66! USER MOD Single : A 180 SER OG : rot 104:sc= -1.42! USER MOD Single : A 182 LYS NZ :NH3+ -170:sc=-0.00131 (180deg=-0.13) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 158:sc= -0.555 (180deg=-1.11) USER MOD Single : A 194 CYS SG : rot 180:sc= 0 USER MOD Single : A 195 CYS SG : rot 102:sc= 1.21 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -0.984 K(o=-0.98,f=-3!) USER MOD Single : A 205 LYS NZ :NH3+ -162:sc= 0.785 (180deg=0.554) USER MOD Single : A 206 LYS NZ :NH3+ -170:sc= 1.21 (180deg=0.935) USER MOD Single : A 212 THR OG1 : rot 96:sc= 0.143 USER MOD Single : A 215 SER OG : rot -150:sc= 0 USER MOD Single : A 218 THR OG1 : rot 84:sc= 0.735 USER MOD Single : A 223 HIS :FLIP no HD1:sc= -0.492 F(o=-1.4,f=-0.49) USER MOD Single : A 229 ASN :FLIP amide:sc= -0.0311 F(o=-1.5!,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 151 -21.936 -6.013 2.894 1.00 6.61 N ATOM 2 CA SER A 151 -21.020 -5.141 2.126 1.00 6.05 C ATOM 3 C SER A 151 -21.598 -4.850 0.740 1.00 5.15 C ATOM 4 O SER A 151 -21.369 -5.599 -0.208 1.00 5.07 O ATOM 5 CB SER A 151 -19.645 -5.815 2.007 1.00 6.53 C ATOM 6 OG SER A 151 -18.724 -5.020 1.272 1.00 7.11 O ATOM 0 HA SER A 151 -20.905 -4.193 2.652 1.00 6.05 H new ATOM 0 HB2 SER A 151 -19.246 -6.004 3.004 1.00 6.53 H new ATOM 0 HB3 SER A 151 -19.757 -6.784 1.520 1.00 6.53 H new ATOM 0 HG SER A 151 -17.861 -5.482 1.220 1.00 7.11 H new ATOM 12 N PRO A 152 -22.368 -3.752 0.609 1.00 4.86 N ATOM 13 CA PRO A 152 -22.994 -3.363 -0.662 1.00 4.47 C ATOM 14 C PRO A 152 -21.960 -3.091 -1.749 1.00 4.11 C ATOM 15 O PRO A 152 -22.069 -3.590 -2.871 1.00 4.17 O ATOM 16 CB PRO A 152 -23.752 -2.078 -0.317 1.00 4.91 C ATOM 17 CG PRO A 152 -23.920 -2.121 1.160 1.00 5.35 C ATOM 18 CD PRO A 152 -22.694 -2.806 1.687 1.00 5.39 C ATOM 0 HA PRO A 152 -23.633 -4.152 -1.058 1.00 4.47 H new ATOM 0 HB2 PRO A 152 -23.194 -1.194 -0.626 1.00 4.91 H new ATOM 0 HB3 PRO A 152 -24.716 -2.039 -0.824 1.00 4.91 H new ATOM 0 HG2 PRO A 152 -24.016 -1.117 1.573 1.00 5.35 H new ATOM 0 HG3 PRO A 152 -24.823 -2.666 1.436 1.00 5.35 H new ATOM 0 HD2 PRO A 152 -21.882 -2.102 1.868 1.00 5.39 H new ATOM 0 HD3 PRO A 152 -22.889 -3.317 2.630 1.00 5.39 H new ATOM 26 N GLN A 153 -20.960 -2.295 -1.409 1.00 3.91 N ATOM 27 CA GLN A 153 -19.858 -2.019 -2.314 1.00 3.65 C ATOM 28 C GLN A 153 -18.544 -2.342 -1.620 1.00 3.35 C ATOM 29 O GLN A 153 -18.277 -1.849 -0.525 1.00 3.36 O ATOM 30 CB GLN A 153 -19.877 -0.561 -2.763 1.00 3.78 C ATOM 31 CG GLN A 153 -18.877 -0.272 -3.867 1.00 4.13 C ATOM 32 CD GLN A 153 -18.783 1.204 -4.201 1.00 4.41 C ATOM 33 OE1 GLN A 153 -19.762 1.942 -4.086 1.00 4.68 O ATOM 34 NE2 GLN A 153 -17.606 1.649 -4.608 1.00 4.84 N ATOM 0 H GLN A 153 -20.889 -1.826 -0.506 1.00 3.91 H new ATOM 0 HA GLN A 153 -19.963 -2.644 -3.201 1.00 3.65 H new ATOM 0 HB2 GLN A 153 -20.878 -0.306 -3.110 1.00 3.78 H new ATOM 0 HB3 GLN A 153 -19.663 0.080 -1.908 1.00 3.78 H new ATOM 0 HG2 GLN A 153 -17.894 -0.635 -3.566 1.00 4.13 H new ATOM 0 HG3 GLN A 153 -19.161 -0.825 -4.762 1.00 4.13 H new ATOM 0 HE21 GLN A 153 -16.818 1.006 -4.691 1.00 4.84 H new ATOM 0 HE22 GLN A 153 -17.486 2.635 -4.839 1.00 4.84 H new ATOM 43 N LYS A 154 -17.741 -3.183 -2.250 1.00 3.20 N ATOM 44 CA LYS A 154 -16.484 -3.619 -1.667 1.00 2.97 C ATOM 45 C LYS A 154 -15.427 -2.529 -1.817 1.00 2.72 C ATOM 46 O LYS A 154 -15.049 -2.172 -2.935 1.00 2.70 O ATOM 47 CB LYS A 154 -16.009 -4.905 -2.346 1.00 3.06 C ATOM 48 CG LYS A 154 -14.938 -5.651 -1.570 1.00 2.92 C ATOM 49 CD LYS A 154 -15.499 -6.276 -0.306 1.00 3.32 C ATOM 50 CE LYS A 154 -14.463 -7.127 0.411 1.00 3.83 C ATOM 51 NZ LYS A 154 -15.041 -7.844 1.581 1.00 4.47 N ATOM 0 H LYS A 154 -17.939 -3.579 -3.169 1.00 3.20 H new ATOM 0 HA LYS A 154 -16.639 -3.815 -0.606 1.00 2.97 H new ATOM 0 HB2 LYS A 154 -16.864 -5.565 -2.492 1.00 3.06 H new ATOM 0 HB3 LYS A 154 -15.623 -4.661 -3.336 1.00 3.06 H new ATOM 0 HG2 LYS A 154 -14.506 -6.428 -2.200 1.00 2.92 H new ATOM 0 HG3 LYS A 154 -14.131 -4.965 -1.311 1.00 2.92 H new ATOM 0 HD2 LYS A 154 -15.850 -5.490 0.363 1.00 3.32 H new ATOM 0 HD3 LYS A 154 -16.363 -6.891 -0.557 1.00 3.32 H new ATOM 0 HE2 LYS A 154 -14.044 -7.852 -0.287 1.00 3.83 H new ATOM 0 HE3 LYS A 154 -13.641 -6.493 0.744 1.00 3.83 H new ATOM 0 HZ1 LYS A 154 -14.301 -8.412 2.040 1.00 4.47 H new ATOM 0 HZ2 LYS A 154 -15.418 -7.153 2.260 1.00 4.47 H new ATOM 0 HZ3 LYS A 154 -15.808 -8.469 1.261 1.00 4.47 H new ATOM 65 N PRO A 155 -14.944 -1.978 -0.696 1.00 2.57 N ATOM 66 CA PRO A 155 -13.945 -0.918 -0.712 1.00 2.35 C ATOM 67 C PRO A 155 -12.524 -1.465 -0.830 1.00 2.15 C ATOM 68 O PRO A 155 -12.121 -2.352 -0.075 1.00 2.14 O ATOM 69 CB PRO A 155 -14.159 -0.236 0.636 1.00 2.38 C ATOM 70 CG PRO A 155 -14.658 -1.308 1.545 1.00 2.54 C ATOM 71 CD PRO A 155 -15.331 -2.345 0.679 1.00 2.69 C ATOM 0 HA PRO A 155 -14.054 -0.250 -1.566 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -13.231 0.196 1.010 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.880 0.578 0.555 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.836 -1.750 2.107 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -15.359 -0.900 2.273 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.997 -3.351 0.931 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.413 -2.327 0.806 1.00 2.69 H new ATOM 79 N ILE A 156 -11.769 -0.936 -1.782 1.00 2.02 N ATOM 80 CA ILE A 156 -10.397 -1.369 -2.004 1.00 1.83 C ATOM 81 C ILE A 156 -9.488 -0.177 -2.251 1.00 1.65 C ATOM 82 O ILE A 156 -9.956 0.929 -2.531 1.00 1.71 O ATOM 83 CB ILE A 156 -10.284 -2.352 -3.195 1.00 1.96 C ATOM 84 CG1 ILE A 156 -11.038 -1.851 -4.436 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.769 -3.733 -2.793 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.281 -0.829 -5.249 1.00 2.11 C ATOM 0 H ILE A 156 -12.086 -0.202 -2.416 1.00 2.02 H new ATOM 0 HA ILE A 156 -10.082 -1.888 -1.099 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.230 -2.413 -3.465 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.273 -2.704 -5.073 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.987 -1.417 -4.120 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.682 -4.411 -3.642 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.162 -4.106 -1.968 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.811 -3.676 -2.480 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.883 -0.528 -6.106 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -10.069 0.043 -4.631 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.344 -1.263 -5.598 1.00 2.11 H new ATOM 98 N VAL A 157 -8.198 -0.399 -2.115 1.00 1.45 N ATOM 99 CA VAL A 157 -7.207 0.579 -2.516 1.00 1.29 C ATOM 100 C VAL A 157 -6.082 -0.105 -3.290 1.00 1.25 C ATOM 101 O VAL A 157 -5.439 -1.036 -2.798 1.00 1.18 O ATOM 102 CB VAL A 157 -6.659 1.383 -1.310 1.00 1.14 C ATOM 103 CG1 VAL A 157 -6.428 0.498 -0.100 1.00 1.44 C ATOM 104 CG2 VAL A 157 -5.388 2.122 -1.687 1.00 1.67 C ATOM 0 H VAL A 157 -7.807 -1.257 -1.726 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.693 1.301 -3.172 1.00 1.29 H new ATOM 0 HB VAL A 157 -7.417 2.117 -1.037 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -6.044 1.100 0.723 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -7.369 0.035 0.197 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.705 -0.278 -0.350 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -5.022 2.679 -0.825 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -4.631 1.405 -2.004 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -5.598 2.813 -2.503 1.00 1.67 H new ATOM 114 N ARG A 158 -5.895 0.336 -4.527 1.00 1.38 N ATOM 115 CA ARG A 158 -4.888 -0.220 -5.411 1.00 1.47 C ATOM 116 C ARG A 158 -3.511 0.252 -4.999 1.00 1.29 C ATOM 117 O ARG A 158 -3.219 1.444 -4.981 1.00 1.32 O ATOM 118 CB ARG A 158 -5.167 0.180 -6.856 1.00 1.78 C ATOM 119 CG ARG A 158 -6.485 -0.355 -7.386 1.00 2.00 C ATOM 120 CD ARG A 158 -6.754 0.127 -8.800 1.00 2.31 C ATOM 121 NE ARG A 158 -7.985 -0.439 -9.342 1.00 2.65 N ATOM 122 CZ ARG A 158 -8.595 0.012 -10.434 1.00 2.95 C ATOM 123 NH1 ARG A 158 -8.089 1.039 -11.107 1.00 3.05 N ATOM 124 NH2 ARG A 158 -9.714 -0.563 -10.854 1.00 3.61 N ATOM 0 H ARG A 158 -6.440 1.091 -4.943 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.926 -1.307 -5.336 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.169 1.267 -6.930 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.356 -0.181 -7.488 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.469 -1.445 -7.369 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.297 -0.037 -6.732 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.821 1.215 -8.806 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -5.916 -0.145 -9.442 1.00 2.31 H new ATOM 0 HE ARG A 158 -8.404 -1.230 -8.853 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -7.229 1.485 -10.787 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -8.560 1.382 -11.944 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -10.107 -1.351 -10.339 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -10.182 -0.217 -11.692 1.00 3.61 H new ATOM 138 N VAL A 159 -2.682 -0.700 -4.676 1.00 1.17 N ATOM 139 CA VAL A 159 -1.349 -0.442 -4.178 1.00 1.00 C ATOM 140 C VAL A 159 -0.297 -0.745 -5.234 1.00 1.24 C ATOM 141 O VAL A 159 -0.065 -1.900 -5.567 1.00 1.40 O ATOM 142 CB VAL A 159 -1.080 -1.309 -2.938 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.394 -1.286 -2.570 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.930 -0.835 -1.774 1.00 0.68 C ATOM 0 H VAL A 159 -2.910 -1.691 -4.750 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.287 0.615 -3.918 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.351 -2.339 -3.172 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.559 -1.907 -1.689 1.00 0.79 H new ATOM 0 HG12 VAL A 159 0.983 -1.672 -3.402 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.699 -0.262 -2.354 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.731 -1.457 -0.901 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.686 0.202 -1.544 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.985 -0.909 -2.039 1.00 0.68 H new ATOM 154 N PHE A 160 0.343 0.285 -5.757 1.00 1.35 N ATOM 155 CA PHE A 160 1.410 0.088 -6.721 1.00 1.60 C ATOM 156 C PHE A 160 2.645 -0.437 -6.015 1.00 1.50 C ATOM 157 O PHE A 160 3.353 0.295 -5.328 1.00 1.42 O ATOM 158 CB PHE A 160 1.713 1.376 -7.494 1.00 1.81 C ATOM 159 CG PHE A 160 0.619 1.758 -8.455 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.700 1.811 -8.033 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.908 2.068 -9.773 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.712 2.157 -8.905 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.101 2.415 -10.652 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.413 2.460 -10.215 1.00 2.44 C ATOM 0 H PHE A 160 0.145 1.260 -5.533 1.00 1.35 H new ATOM 0 HA PHE A 160 1.085 -0.650 -7.454 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.867 2.190 -6.786 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.645 1.252 -8.045 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -0.940 1.578 -7.006 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.931 2.038 -10.118 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.735 2.190 -8.561 1.00 2.13 H new ATOM 0 HE2 PHE A 160 0.135 2.651 -11.679 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.202 2.732 -10.900 1.00 2.44 H new ATOM 174 N LEU A 161 2.864 -1.727 -6.182 1.00 1.56 N ATOM 175 CA LEU A 161 3.953 -2.439 -5.540 1.00 1.52 C ATOM 176 C LEU A 161 5.305 -1.938 -6.038 1.00 1.73 C ATOM 177 O LEU A 161 5.387 -1.295 -7.087 1.00 1.95 O ATOM 178 CB LEU A 161 3.824 -3.927 -5.860 1.00 1.63 C ATOM 179 CG LEU A 161 2.452 -4.536 -5.585 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.286 -5.814 -6.375 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.269 -4.800 -4.103 1.00 1.85 C ATOM 0 H LEU A 161 2.283 -2.318 -6.776 1.00 1.56 H new ATOM 0 HA LEU A 161 3.897 -2.269 -4.465 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.066 -4.078 -6.912 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.568 -4.473 -5.280 1.00 1.63 H new ATOM 0 HG LEU A 161 1.687 -3.826 -5.899 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.304 -6.242 -6.173 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.375 -5.598 -7.440 1.00 2.07 H new ATOM 0 HD13 LEU A 161 3.059 -6.525 -6.083 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.284 -5.234 -3.930 1.00 1.85 H new ATOM 0 HD22 LEU A 161 3.037 -5.493 -3.759 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.354 -3.863 -3.553 1.00 1.85 H new ATOM 193 N PRO A 162 6.381 -2.218 -5.285 1.00 1.72 N ATOM 194 CA PRO A 162 7.748 -1.956 -5.738 1.00 1.96 C ATOM 195 C PRO A 162 7.999 -2.558 -7.117 1.00 2.24 C ATOM 196 O PRO A 162 7.389 -3.565 -7.482 1.00 2.27 O ATOM 197 CB PRO A 162 8.612 -2.651 -4.686 1.00 1.92 C ATOM 198 CG PRO A 162 7.773 -2.659 -3.456 1.00 1.65 C ATOM 199 CD PRO A 162 6.350 -2.787 -3.924 1.00 1.51 C ATOM 0 HA PRO A 162 7.959 -0.891 -5.835 1.00 1.96 H new ATOM 0 HB2 PRO A 162 8.874 -3.663 -4.994 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.547 -2.115 -4.524 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.045 -3.489 -2.804 1.00 1.65 H new ATOM 0 HG3 PRO A 162 7.914 -1.743 -2.882 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.022 -3.826 -3.931 1.00 1.51 H new ATOM 0 HD3 PRO A 162 5.664 -2.241 -3.276 1.00 1.51 H new ATOM 207 N ASN A 163 8.887 -1.932 -7.876 1.00 2.48 N ATOM 208 CA ASN A 163 9.179 -2.341 -9.250 1.00 2.78 C ATOM 209 C ASN A 163 7.945 -2.169 -10.124 1.00 2.84 C ATOM 210 O ASN A 163 7.649 -2.969 -11.014 1.00 3.05 O ATOM 211 CB ASN A 163 9.713 -3.769 -9.312 1.00 2.88 C ATOM 212 CG ASN A 163 10.506 -4.059 -10.578 1.00 3.09 C ATOM 213 OD1 ASN A 163 10.271 -3.468 -11.631 1.00 3.40 O ATOM 214 ND2 ASN A 163 11.449 -4.981 -10.487 1.00 3.47 N ATOM 0 H ASN A 163 9.427 -1.126 -7.561 1.00 2.48 H new ATOM 0 HA ASN A 163 9.966 -1.694 -9.636 1.00 2.78 H new ATOM 0 HB2 ASN A 163 10.347 -3.951 -8.444 1.00 2.88 H new ATOM 0 HB3 ASN A 163 8.877 -4.466 -9.247 1.00 2.88 H new ATOM 0 HD21 ASN A 163 12.008 -5.221 -11.306 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.618 -5.452 -9.598 1.00 3.47 H new ATOM 221 N LYS A 164 7.232 -1.101 -9.820 1.00 2.69 N ATOM 222 CA LYS A 164 6.204 -0.535 -10.678 1.00 2.78 C ATOM 223 C LYS A 164 5.082 -1.511 -11.039 1.00 2.78 C ATOM 224 O LYS A 164 4.476 -1.393 -12.106 1.00 3.01 O ATOM 225 CB LYS A 164 6.823 0.063 -11.944 1.00 3.11 C ATOM 226 CG LYS A 164 7.937 1.061 -11.653 1.00 3.16 C ATOM 227 CD LYS A 164 9.277 0.383 -11.506 1.00 3.36 C ATOM 228 CE LYS A 164 9.620 -0.450 -12.724 1.00 3.97 C ATOM 229 NZ LYS A 164 11.004 -0.992 -12.655 1.00 4.66 N ATOM 0 H LYS A 164 7.354 -0.588 -8.947 1.00 2.69 H new ATOM 0 HA LYS A 164 5.735 0.255 -10.091 1.00 2.78 H new ATOM 0 HB2 LYS A 164 7.218 -0.743 -12.563 1.00 3.11 H new ATOM 0 HB3 LYS A 164 6.043 0.557 -12.523 1.00 3.11 H new ATOM 0 HG2 LYS A 164 7.987 1.794 -12.459 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.705 1.608 -10.739 1.00 3.16 H new ATOM 0 HD2 LYS A 164 10.050 1.135 -11.350 1.00 3.36 H new ATOM 0 HD3 LYS A 164 9.268 -0.253 -10.621 1.00 3.36 H new ATOM 0 HE2 LYS A 164 8.912 -1.274 -12.811 1.00 3.97 H new ATOM 0 HE3 LYS A 164 9.513 0.159 -13.622 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 11.421 -1.001 -13.608 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 11.581 -0.393 -12.030 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 10.979 -1.961 -12.279 1.00 4.66 H new ATOM 243 N GLN A 165 4.800 -2.474 -10.172 1.00 2.56 N ATOM 244 CA GLN A 165 3.620 -3.287 -10.328 1.00 2.56 C ATOM 245 C GLN A 165 2.492 -2.679 -9.523 1.00 2.31 C ATOM 246 O GLN A 165 2.667 -1.628 -8.919 1.00 2.15 O ATOM 247 CB GLN A 165 3.871 -4.720 -9.876 1.00 2.53 C ATOM 248 CG GLN A 165 4.323 -5.623 -11.008 1.00 2.86 C ATOM 249 CD GLN A 165 4.204 -7.100 -10.684 1.00 3.08 C ATOM 250 OE1 GLN A 165 3.173 -7.468 -9.940 1.00 3.33 O flip ATOM 251 NE2 GLN A 165 5.009 -7.913 -11.136 1.00 3.57 N flip ATOM 0 H GLN A 165 5.374 -2.704 -9.361 1.00 2.56 H new ATOM 0 HA GLN A 165 3.352 -3.315 -11.384 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.628 -4.721 -9.092 1.00 2.53 H new ATOM 0 HB3 GLN A 165 2.958 -5.123 -9.438 1.00 2.53 H new ATOM 0 HG2 GLN A 165 3.730 -5.404 -11.896 1.00 2.86 H new ATOM 0 HG3 GLN A 165 5.360 -5.395 -11.253 1.00 2.86 H new ATOM 0 HE21 GLN A 165 5.792 -7.593 -11.706 1.00 3.57 H new ATOM 0 HE22 GLN A 165 4.893 -8.907 -10.941 1.00 3.57 H new ATOM 260 N ARG A 166 1.333 -3.306 -9.534 1.00 2.31 N ATOM 261 CA ARG A 166 0.257 -2.869 -8.679 1.00 2.09 C ATOM 262 C ARG A 166 -0.607 -4.035 -8.231 1.00 2.04 C ATOM 263 O ARG A 166 -0.947 -4.920 -9.015 1.00 2.28 O ATOM 264 CB ARG A 166 -0.595 -1.798 -9.357 1.00 2.22 C ATOM 265 CG ARG A 166 -1.548 -2.318 -10.406 1.00 2.51 C ATOM 266 CD ARG A 166 -2.471 -1.219 -10.910 1.00 2.64 C ATOM 267 NE ARG A 166 -3.487 -1.737 -11.825 1.00 2.98 N ATOM 268 CZ ARG A 166 -4.362 -0.980 -12.487 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.356 0.341 -12.342 1.00 3.17 N ATOM 270 NH2 ARG A 166 -5.242 -1.548 -13.302 1.00 3.54 N ATOM 0 H ARG A 166 1.117 -4.112 -10.121 1.00 2.31 H new ATOM 0 HA ARG A 166 0.712 -2.427 -7.792 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.169 -1.273 -8.593 1.00 2.22 H new ATOM 0 HB3 ARG A 166 0.067 -1.065 -9.819 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -0.982 -2.732 -11.241 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.142 -3.131 -9.989 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -2.958 -0.737 -10.062 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -1.882 -0.454 -11.417 1.00 2.64 H new ATOM 0 HE ARG A 166 -3.529 -2.746 -11.966 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.678 0.783 -11.721 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -5.029 0.913 -12.852 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -5.248 -2.561 -13.420 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -5.913 -0.971 -13.810 1.00 3.54 H new ATOM 284 N THR A 167 -0.917 -4.038 -6.957 1.00 1.77 N ATOM 285 CA THR A 167 -1.884 -4.944 -6.400 1.00 1.75 C ATOM 286 C THR A 167 -3.100 -4.129 -5.976 1.00 1.63 C ATOM 287 O THR A 167 -3.144 -2.921 -6.195 1.00 1.62 O ATOM 288 CB THR A 167 -1.303 -5.693 -5.180 1.00 1.62 C ATOM 289 OG1 THR A 167 -2.040 -6.898 -4.942 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.340 -4.823 -3.934 1.00 1.47 C ATOM 0 H THR A 167 -0.500 -3.405 -6.274 1.00 1.77 H new ATOM 0 HA THR A 167 -2.159 -5.690 -7.146 1.00 1.75 H new ATOM 0 HB THR A 167 -0.265 -5.938 -5.403 1.00 1.62 H new ATOM 0 HG1 THR A 167 -2.159 -7.024 -3.977 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.925 -5.376 -3.092 1.00 1.47 H new ATOM 0 HG22 THR A 167 -0.751 -3.922 -4.102 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.371 -4.546 -3.714 1.00 1.47 H new ATOM 298 N VAL A 168 -4.084 -4.780 -5.397 1.00 1.71 N ATOM 299 CA VAL A 168 -5.189 -4.088 -4.778 1.00 1.63 C ATOM 300 C VAL A 168 -5.470 -4.744 -3.449 1.00 1.55 C ATOM 301 O VAL A 168 -5.524 -5.964 -3.361 1.00 1.69 O ATOM 302 CB VAL A 168 -6.479 -4.117 -5.619 1.00 1.90 C ATOM 303 CG1 VAL A 168 -7.472 -3.093 -5.123 1.00 2.22 C ATOM 304 CG2 VAL A 168 -6.203 -3.922 -7.087 1.00 2.31 C ATOM 0 H VAL A 168 -4.140 -5.797 -5.343 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.900 -3.042 -4.673 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.915 -5.109 -5.499 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -8.374 -3.135 -5.734 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -7.727 -3.307 -4.085 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -7.033 -2.098 -5.191 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -7.142 -3.950 -7.641 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -5.719 -2.958 -7.241 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -5.548 -4.717 -7.443 1.00 2.31 H new ATOM 314 N VAL A 169 -5.613 -3.951 -2.417 1.00 1.38 N ATOM 315 CA VAL A 169 -5.942 -4.486 -1.113 1.00 1.41 C ATOM 316 C VAL A 169 -7.214 -3.828 -0.584 1.00 1.50 C ATOM 317 O VAL A 169 -7.321 -2.601 -0.552 1.00 1.41 O ATOM 318 CB VAL A 169 -4.766 -4.330 -0.112 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.443 -2.870 0.154 1.00 1.57 C ATOM 320 CG2 VAL A 169 -5.049 -5.069 1.189 1.00 1.67 C ATOM 0 H VAL A 169 -5.508 -2.937 -2.450 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.122 -5.556 -1.220 1.00 1.41 H new ATOM 0 HB VAL A 169 -3.888 -4.781 -0.574 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.615 -2.803 0.859 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.164 -2.383 -0.780 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.318 -2.374 0.574 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.208 -4.942 1.870 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -5.952 -4.666 1.648 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.190 -6.130 0.982 1.00 1.67 H new ATOM 330 N PRO A 170 -8.234 -4.640 -0.252 1.00 1.73 N ATOM 331 CA PRO A 170 -9.476 -4.157 0.340 1.00 1.87 C ATOM 332 C PRO A 170 -9.219 -3.265 1.534 1.00 1.79 C ATOM 333 O PRO A 170 -8.395 -3.580 2.392 1.00 1.76 O ATOM 334 CB PRO A 170 -10.209 -5.434 0.779 1.00 2.12 C ATOM 335 CG PRO A 170 -9.224 -6.539 0.603 1.00 2.10 C ATOM 336 CD PRO A 170 -8.294 -6.083 -0.478 1.00 1.90 C ATOM 0 HA PRO A 170 -10.049 -3.554 -0.364 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.536 -5.362 1.816 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -11.100 -5.603 0.174 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.683 -6.733 1.529 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.723 -7.468 0.325 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.312 -6.549 -0.393 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.676 -6.323 -1.470 1.00 1.90 H new ATOM 344 N ALA A 171 -9.919 -2.148 1.570 1.00 1.82 N ATOM 345 CA ALA A 171 -9.787 -1.207 2.660 1.00 1.82 C ATOM 346 C ALA A 171 -10.187 -1.878 3.958 1.00 2.05 C ATOM 347 O ALA A 171 -11.317 -2.342 4.120 1.00 2.28 O ATOM 348 CB ALA A 171 -10.632 0.021 2.396 1.00 1.88 C ATOM 0 H ALA A 171 -10.588 -1.871 0.852 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.749 -0.886 2.741 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.524 0.722 3.224 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -10.303 0.497 1.472 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.678 -0.271 2.302 1.00 1.88 H new ATOM 354 N ARG A 172 -9.234 -1.966 4.855 1.00 2.03 N ATOM 355 CA ARG A 172 -9.405 -2.696 6.092 1.00 2.28 C ATOM 356 C ARG A 172 -9.584 -1.739 7.266 1.00 2.44 C ATOM 357 O ARG A 172 -8.661 -1.018 7.641 1.00 2.39 O ATOM 358 CB ARG A 172 -8.188 -3.600 6.297 1.00 2.23 C ATOM 359 CG ARG A 172 -8.017 -4.677 5.229 1.00 2.18 C ATOM 360 CD ARG A 172 -9.149 -5.699 5.232 1.00 2.43 C ATOM 361 NE ARG A 172 -10.412 -5.149 4.727 1.00 2.82 N ATOM 362 CZ ARG A 172 -11.495 -5.883 4.468 1.00 3.26 C ATOM 363 NH1 ARG A 172 -11.456 -7.203 4.606 1.00 3.26 N ATOM 364 NH2 ARG A 172 -12.616 -5.296 4.064 1.00 3.98 N ATOM 0 H ARG A 172 -8.316 -1.533 4.749 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.305 -3.308 6.037 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.291 -2.982 6.319 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.268 -4.081 7.272 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -7.963 -4.204 4.248 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -7.069 -5.191 5.387 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -8.861 -6.555 4.622 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.298 -6.067 6.247 1.00 2.43 H new ATOM 0 HE ARG A 172 -10.465 -4.144 4.564 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -10.596 -7.659 4.911 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -12.286 -7.761 4.407 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -12.649 -4.283 3.952 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -13.444 -5.858 3.866 1.00 3.98 H new ATOM 378 N CYS A 173 -10.783 -1.728 7.832 1.00 2.68 N ATOM 379 CA CYS A 173 -11.093 -0.855 8.955 1.00 2.89 C ATOM 380 C CYS A 173 -10.589 -1.464 10.254 1.00 3.07 C ATOM 381 O CYS A 173 -10.947 -2.590 10.607 1.00 3.19 O ATOM 382 CB CYS A 173 -12.599 -0.600 9.023 1.00 3.08 C ATOM 383 SG CYS A 173 -13.605 -2.092 8.874 1.00 3.37 S ATOM 0 H CYS A 173 -11.560 -2.316 7.530 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.588 0.100 8.809 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.832 -0.110 9.969 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.876 0.093 8.229 1.00 3.08 H new ATOM 0 HG CYS A 173 -14.864 -1.775 8.945 1.00 3.37 H new ATOM 389 N GLY A 174 -9.741 -0.727 10.952 1.00 3.11 N ATOM 390 CA GLY A 174 -9.121 -1.251 12.147 1.00 3.31 C ATOM 391 C GLY A 174 -7.834 -1.967 11.812 1.00 3.16 C ATOM 392 O GLY A 174 -7.251 -2.654 12.650 1.00 3.34 O ATOM 0 H GLY A 174 -9.471 0.227 10.711 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -8.919 -0.438 12.844 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -9.805 -1.937 12.646 1.00 3.31 H new ATOM 396 N VAL A 175 -7.408 -1.811 10.566 1.00 2.87 N ATOM 397 CA VAL A 175 -6.185 -2.425 10.082 1.00 2.70 C ATOM 398 C VAL A 175 -5.247 -1.355 9.559 1.00 2.51 C ATOM 399 O VAL A 175 -5.675 -0.388 8.925 1.00 2.45 O ATOM 400 CB VAL A 175 -6.471 -3.467 8.978 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.194 -4.130 8.482 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.413 -4.535 9.494 1.00 2.77 C ATOM 0 H VAL A 175 -7.901 -1.256 9.866 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.715 -2.947 10.916 1.00 2.70 H new ATOM 0 HB VAL A 175 -6.930 -2.935 8.145 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.438 -4.856 7.707 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.526 -3.372 8.072 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.702 -4.637 9.312 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.606 -5.262 8.705 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -6.960 -5.038 10.348 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -8.352 -4.075 9.800 1.00 2.77 H new ATOM 412 N THR A 176 -3.971 -1.528 9.834 1.00 2.46 N ATOM 413 CA THR A 176 -2.980 -0.562 9.439 1.00 2.32 C ATOM 414 C THR A 176 -2.523 -0.871 8.030 1.00 1.98 C ATOM 415 O THR A 176 -2.838 -1.944 7.496 1.00 1.90 O ATOM 416 CB THR A 176 -1.769 -0.590 10.388 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.239 -1.919 10.461 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.148 -0.123 11.785 1.00 2.83 C ATOM 0 H THR A 176 -3.599 -2.336 10.333 1.00 2.46 H new ATOM 0 HA THR A 176 -3.425 0.432 9.483 1.00 2.32 H new ATOM 0 HB THR A 176 -1.016 0.090 9.990 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.834 -2.062 11.342 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.270 -0.155 12.430 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.526 0.898 11.737 1.00 2.83 H new ATOM 0 HG23 THR A 176 -2.920 -0.777 12.190 1.00 2.83 H new ATOM 426 N VAL A 177 -1.787 0.036 7.417 1.00 1.82 N ATOM 427 CA VAL A 177 -1.218 -0.254 6.117 1.00 1.52 C ATOM 428 C VAL A 177 -0.312 -1.474 6.241 1.00 1.52 C ATOM 429 O VAL A 177 -0.123 -2.205 5.295 1.00 1.33 O ATOM 430 CB VAL A 177 -0.430 0.943 5.522 1.00 1.45 C ATOM 431 CG1 VAL A 177 -1.099 2.258 5.870 1.00 1.78 C ATOM 432 CG2 VAL A 177 1.014 0.943 5.980 1.00 1.92 C ATOM 0 H VAL A 177 -1.573 0.961 7.789 1.00 1.82 H new ATOM 0 HA VAL A 177 -2.039 -0.452 5.428 1.00 1.52 H new ATOM 0 HB VAL A 177 -0.435 0.829 4.438 1.00 1.45 H new ATOM 0 HG11 VAL A 177 -0.528 3.081 5.442 1.00 1.78 H new ATOM 0 HG12 VAL A 177 -2.111 2.270 5.466 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -1.140 2.370 6.953 1.00 1.78 H new ATOM 0 HG21 VAL A 177 1.534 1.795 5.543 1.00 1.92 H new ATOM 0 HG22 VAL A 177 1.051 1.013 7.067 1.00 1.92 H new ATOM 0 HG23 VAL A 177 1.497 0.020 5.660 1.00 1.92 H new ATOM 442 N ARG A 178 0.196 -1.708 7.448 1.00 1.79 N ATOM 443 CA ARG A 178 1.077 -2.829 7.724 1.00 1.88 C ATOM 444 C ARG A 178 0.453 -4.169 7.347 1.00 1.85 C ATOM 445 O ARG A 178 0.991 -4.885 6.517 1.00 1.73 O ATOM 446 CB ARG A 178 1.460 -2.808 9.198 1.00 2.23 C ATOM 447 CG ARG A 178 2.384 -3.931 9.608 1.00 2.43 C ATOM 448 CD ARG A 178 1.643 -4.963 10.431 1.00 2.70 C ATOM 449 NE ARG A 178 1.075 -4.383 11.649 1.00 3.12 N ATOM 450 CZ ARG A 178 0.019 -4.878 12.294 1.00 3.76 C ATOM 451 NH1 ARG A 178 -0.545 -6.008 11.885 1.00 4.24 N ATOM 452 NH2 ARG A 178 -0.459 -4.248 13.359 1.00 4.27 N ATOM 0 H ARG A 178 0.005 -1.122 8.261 1.00 1.79 H new ATOM 0 HA ARG A 178 1.968 -2.721 7.105 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.939 -1.856 9.425 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.553 -2.860 9.800 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.807 -4.402 8.721 1.00 2.43 H new ATOM 0 HG3 ARG A 178 3.218 -3.530 10.184 1.00 2.43 H new ATOM 0 HD2 ARG A 178 0.845 -5.401 9.831 1.00 2.70 H new ATOM 0 HD3 ARG A 178 2.323 -5.772 10.697 1.00 2.70 H new ATOM 0 HE ARG A 178 1.516 -3.545 12.029 1.00 3.12 H new ATOM 0 HH11 ARG A 178 -0.170 -6.501 11.074 1.00 4.24 H new ATOM 0 HH12 ARG A 178 -1.353 -6.384 12.381 1.00 4.24 H new ATOM 0 HH21 ARG A 178 -0.018 -3.387 13.682 1.00 4.27 H new ATOM 0 HH22 ARG A 178 -1.267 -4.625 13.854 1.00 4.27 H new ATOM 466 N ASP A 179 -0.668 -4.503 7.963 1.00 2.00 N ATOM 467 CA ASP A 179 -1.331 -5.786 7.716 1.00 2.07 C ATOM 468 C ASP A 179 -1.815 -5.870 6.277 1.00 1.81 C ATOM 469 O ASP A 179 -1.584 -6.852 5.561 1.00 1.77 O ATOM 470 CB ASP A 179 -2.540 -5.940 8.630 1.00 2.32 C ATOM 471 CG ASP A 179 -2.793 -7.378 9.030 1.00 2.51 C ATOM 472 OD1 ASP A 179 -2.522 -7.730 10.197 1.00 2.78 O ATOM 473 OD2 ASP A 179 -3.273 -8.162 8.183 1.00 2.87 O ATOM 0 H ASP A 179 -1.144 -3.907 8.640 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.606 -6.576 7.911 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.391 -5.339 9.527 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.423 -5.547 8.126 1.00 2.32 H new ATOM 478 N SER A 180 -2.485 -4.813 5.869 1.00 1.66 N ATOM 479 CA SER A 180 -3.110 -4.751 4.558 1.00 1.46 C ATOM 480 C SER A 180 -2.053 -4.879 3.452 1.00 1.22 C ATOM 481 O SER A 180 -2.156 -5.723 2.550 1.00 1.22 O ATOM 482 CB SER A 180 -3.865 -3.432 4.474 1.00 1.40 C ATOM 483 OG SER A 180 -4.425 -3.119 5.732 1.00 1.99 O ATOM 0 H SER A 180 -2.614 -3.973 6.433 1.00 1.66 H new ATOM 0 HA SER A 180 -3.805 -5.578 4.417 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.191 -2.636 4.158 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.652 -3.500 3.723 1.00 1.40 H new ATOM 0 HG SER A 180 -3.891 -2.419 6.163 1.00 1.99 H new ATOM 489 N LEU A 181 -1.014 -4.066 3.555 1.00 1.10 N ATOM 490 CA LEU A 181 0.100 -4.118 2.636 1.00 0.92 C ATOM 491 C LEU A 181 0.908 -5.389 2.810 1.00 1.10 C ATOM 492 O LEU A 181 1.612 -5.797 1.901 1.00 1.07 O ATOM 493 CB LEU A 181 1.015 -2.933 2.863 1.00 0.85 C ATOM 494 CG LEU A 181 0.658 -1.658 2.114 1.00 0.68 C ATOM 495 CD1 LEU A 181 1.088 -1.779 0.669 1.00 0.94 C ATOM 496 CD2 LEU A 181 -0.832 -1.349 2.200 1.00 1.34 C ATOM 0 H LEU A 181 -0.924 -3.354 4.279 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.311 -4.096 1.627 1.00 0.92 H new ATOM 0 HB2 LEU A 181 1.030 -2.711 3.930 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.028 -3.223 2.583 1.00 0.85 H new ATOM 0 HG LEU A 181 1.189 -0.830 2.584 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.831 -0.864 0.135 1.00 0.94 H new ATOM 0 HD12 LEU A 181 2.166 -1.936 0.622 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.578 -2.624 0.207 1.00 0.94 H new ATOM 0 HD21 LEU A 181 -1.045 -0.431 1.652 1.00 1.34 H new ATOM 0 HD22 LEU A 181 -1.400 -2.171 1.765 1.00 1.34 H new ATOM 0 HD23 LEU A 181 -1.118 -1.223 3.244 1.00 1.34 H new ATOM 508 N LYS A 182 0.843 -5.987 3.994 1.00 1.35 N ATOM 509 CA LYS A 182 1.535 -7.248 4.236 1.00 1.55 C ATOM 510 C LYS A 182 1.106 -8.276 3.195 1.00 1.54 C ATOM 511 O LYS A 182 1.940 -9.001 2.662 1.00 1.58 O ATOM 512 CB LYS A 182 1.288 -7.755 5.670 1.00 1.84 C ATOM 513 CG LYS A 182 0.585 -9.104 5.760 1.00 2.25 C ATOM 514 CD LYS A 182 0.207 -9.452 7.194 1.00 2.48 C ATOM 515 CE LYS A 182 1.430 -9.615 8.085 1.00 2.59 C ATOM 516 NZ LYS A 182 2.279 -10.758 7.662 1.00 3.08 N ATOM 0 H LYS A 182 0.324 -5.624 4.794 1.00 1.35 H new ATOM 0 HA LYS A 182 2.609 -7.085 4.140 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.246 -7.826 6.185 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.693 -7.015 6.204 1.00 1.84 H new ATOM 0 HG2 LYS A 182 -0.312 -9.088 5.142 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.236 -9.880 5.357 1.00 2.25 H new ATOM 0 HD2 LYS A 182 -0.435 -8.670 7.599 1.00 2.48 H new ATOM 0 HD3 LYS A 182 -0.372 -10.375 7.202 1.00 2.48 H new ATOM 0 HE2 LYS A 182 2.019 -8.698 8.063 1.00 2.59 H new ATOM 0 HE3 LYS A 182 1.110 -9.763 9.116 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 3.003 -10.940 8.386 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 1.687 -11.605 7.544 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 2.742 -10.531 6.759 1.00 3.08 H new ATOM 530 N LYS A 183 -0.192 -8.317 2.887 1.00 1.56 N ATOM 531 CA LYS A 183 -0.671 -9.151 1.784 1.00 1.62 C ATOM 532 C LYS A 183 -0.118 -8.644 0.468 1.00 1.47 C ATOM 533 O LYS A 183 0.461 -9.404 -0.303 1.00 1.59 O ATOM 534 CB LYS A 183 -2.199 -9.167 1.698 1.00 1.72 C ATOM 535 CG LYS A 183 -2.721 -9.723 0.373 1.00 1.85 C ATOM 536 CD LYS A 183 -4.235 -9.681 0.307 1.00 1.95 C ATOM 537 CE LYS A 183 -4.801 -10.925 -0.357 1.00 2.25 C ATOM 538 NZ LYS A 183 -6.282 -10.986 -0.243 1.00 2.75 N ATOM 0 H LYS A 183 -0.918 -7.793 3.376 1.00 1.56 H new ATOM 0 HA LYS A 183 -0.324 -10.166 1.978 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.596 -9.765 2.518 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.575 -8.153 1.832 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -2.304 -9.147 -0.453 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.379 -10.751 0.249 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.641 -9.589 1.314 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.551 -8.797 -0.246 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -4.517 -10.937 -1.409 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -4.364 -11.812 0.101 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -6.631 -11.849 -0.708 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -6.553 -11.000 0.761 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -6.700 -10.152 -0.702 1.00 2.75 H new ATOM 552 N ALA A 184 -0.309 -7.353 0.228 1.00 1.26 N ATOM 553 CA ALA A 184 0.119 -6.721 -1.017 1.00 1.18 C ATOM 554 C ALA A 184 1.553 -7.100 -1.378 1.00 1.25 C ATOM 555 O ALA A 184 1.833 -7.568 -2.483 1.00 1.43 O ATOM 556 CB ALA A 184 -0.005 -5.212 -0.879 1.00 0.93 C ATOM 0 H ALA A 184 -0.761 -6.717 0.885 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.524 -7.076 -1.822 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.313 -4.735 -1.806 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -1.043 -4.950 -0.673 1.00 0.93 H new ATOM 0 HB3 ALA A 184 0.625 -4.869 -0.059 1.00 0.93 H new ATOM 562 N LEU A 185 2.441 -6.907 -0.427 1.00 1.18 N ATOM 563 CA LEU A 185 3.840 -7.205 -0.591 1.00 1.30 C ATOM 564 C LEU A 185 4.070 -8.711 -0.675 1.00 1.54 C ATOM 565 O LEU A 185 4.644 -9.196 -1.649 1.00 1.70 O ATOM 566 CB LEU A 185 4.610 -6.587 0.576 1.00 1.28 C ATOM 567 CG LEU A 185 4.482 -5.067 0.674 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.184 -4.544 1.908 1.00 1.69 C ATOM 569 CD2 LEU A 185 5.028 -4.404 -0.569 1.00 1.54 C ATOM 0 H LEU A 185 2.205 -6.534 0.492 1.00 1.18 H new ATOM 0 HA LEU A 185 4.201 -6.777 -1.526 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.256 -7.031 1.506 1.00 1.28 H new ATOM 0 HB3 LEU A 185 5.664 -6.846 0.480 1.00 1.28 H new ATOM 0 HG LEU A 185 3.423 -4.822 0.757 1.00 1.20 H new ATOM 0 HD11 LEU A 185 5.078 -3.460 1.955 1.00 1.69 H new ATOM 0 HD12 LEU A 185 4.739 -4.991 2.797 1.00 1.69 H new ATOM 0 HD13 LEU A 185 6.242 -4.804 1.863 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.927 -3.322 -0.479 1.00 1.54 H new ATOM 0 HD22 LEU A 185 6.081 -4.662 -0.686 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.471 -4.749 -1.440 1.00 1.54 H new ATOM 581 N MET A 186 3.587 -9.454 0.317 1.00 1.61 N ATOM 582 CA MET A 186 3.834 -10.889 0.397 1.00 1.84 C ATOM 583 C MET A 186 3.254 -11.677 -0.774 1.00 1.98 C ATOM 584 O MET A 186 3.711 -12.786 -1.044 1.00 2.18 O ATOM 585 CB MET A 186 3.311 -11.437 1.712 1.00 1.94 C ATOM 586 CG MET A 186 4.317 -11.290 2.832 1.00 1.99 C ATOM 587 SD MET A 186 5.524 -12.632 2.844 1.00 2.29 S ATOM 588 CE MET A 186 7.020 -11.718 3.193 1.00 2.25 C ATOM 0 H MET A 186 3.020 -9.083 1.079 1.00 1.61 H new ATOM 0 HA MET A 186 4.915 -11.018 0.343 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.392 -10.917 1.981 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.057 -12.490 1.590 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.836 -10.337 2.729 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.793 -11.266 3.788 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.768 -12.391 3.614 1.00 2.25 H new ATOM 0 HE2 MET A 186 7.403 -11.281 2.271 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.803 -10.924 3.908 1.00 2.25 H new ATOM 598 N MET A 187 2.265 -11.134 -1.480 1.00 1.91 N ATOM 599 CA MET A 187 1.742 -11.833 -2.648 1.00 2.11 C ATOM 600 C MET A 187 2.790 -11.867 -3.755 1.00 2.24 C ATOM 601 O MET A 187 2.820 -12.788 -4.569 1.00 2.50 O ATOM 602 CB MET A 187 0.435 -11.213 -3.149 1.00 2.07 C ATOM 603 CG MET A 187 -0.749 -11.485 -2.233 1.00 2.07 C ATOM 604 SD MET A 187 -2.328 -11.431 -3.096 1.00 2.22 S ATOM 605 CE MET A 187 -2.511 -9.672 -3.312 1.00 1.99 C ATOM 0 H MET A 187 1.821 -10.239 -1.272 1.00 1.91 H new ATOM 0 HA MET A 187 1.514 -12.856 -2.349 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.567 -10.136 -3.251 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.214 -11.602 -4.143 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.627 -12.464 -1.770 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.755 -10.751 -1.428 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.500 -9.365 -2.973 1.00 1.99 H new ATOM 0 HE2 MET A 187 -1.750 -9.153 -2.729 1.00 1.99 H new ATOM 0 HE3 MET A 187 -2.394 -9.421 -4.366 1.00 1.99 H new ATOM 615 N ARG A 188 3.653 -10.859 -3.775 1.00 2.10 N ATOM 616 CA ARG A 188 4.821 -10.866 -4.652 1.00 2.26 C ATOM 617 C ARG A 188 6.054 -11.376 -3.922 1.00 2.31 C ATOM 618 O ARG A 188 7.134 -11.495 -4.499 1.00 2.49 O ATOM 619 CB ARG A 188 5.086 -9.472 -5.195 1.00 2.17 C ATOM 620 CG ARG A 188 4.234 -9.155 -6.399 1.00 2.35 C ATOM 621 CD ARG A 188 4.816 -8.029 -7.239 1.00 2.34 C ATOM 622 NE ARG A 188 6.186 -8.319 -7.660 1.00 2.97 N ATOM 623 CZ ARG A 188 7.175 -7.432 -7.640 1.00 3.63 C ATOM 624 NH1 ARG A 188 6.955 -6.195 -7.217 1.00 3.90 N ATOM 625 NH2 ARG A 188 8.388 -7.780 -8.044 1.00 4.43 N ATOM 0 H ARG A 188 3.568 -10.025 -3.194 1.00 2.10 H new ATOM 0 HA ARG A 188 4.608 -11.540 -5.482 1.00 2.26 H new ATOM 0 HB2 ARG A 188 4.894 -8.737 -4.413 1.00 2.17 H new ATOM 0 HB3 ARG A 188 6.139 -9.383 -5.464 1.00 2.17 H new ATOM 0 HG2 ARG A 188 4.132 -10.049 -7.014 1.00 2.35 H new ATOM 0 HG3 ARG A 188 3.232 -8.879 -6.070 1.00 2.35 H new ATOM 0 HD2 ARG A 188 4.191 -7.871 -8.118 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.800 -7.102 -6.666 1.00 2.34 H new ATOM 0 HE ARG A 188 6.395 -9.261 -7.990 1.00 2.97 H new ATOM 0 HH11 ARG A 188 6.023 -5.921 -6.905 1.00 3.90 H new ATOM 0 HH12 ARG A 188 7.717 -5.517 -7.203 1.00 3.90 H new ATOM 0 HH21 ARG A 188 8.564 -8.730 -8.371 1.00 4.43 H new ATOM 0 HH22 ARG A 188 9.146 -7.098 -8.028 1.00 4.43 H new ATOM 639 N GLY A 189 5.877 -11.661 -2.650 1.00 2.21 N ATOM 640 CA GLY A 189 6.968 -12.154 -1.826 1.00 2.31 C ATOM 641 C GLY A 189 7.784 -11.022 -1.241 1.00 2.19 C ATOM 642 O GLY A 189 8.897 -11.223 -0.758 1.00 2.31 O ATOM 0 H GLY A 189 4.988 -11.561 -2.160 1.00 2.21 H new ATOM 0 HA2 GLY A 189 6.566 -12.767 -1.020 1.00 2.31 H new ATOM 0 HA3 GLY A 189 7.614 -12.797 -2.424 1.00 2.31 H new ATOM 646 N LEU A 190 7.213 -9.831 -1.287 1.00 1.98 N ATOM 647 CA LEU A 190 7.883 -8.623 -0.835 1.00 1.90 C ATOM 648 C LEU A 190 7.677 -8.443 0.665 1.00 1.80 C ATOM 649 O LEU A 190 6.754 -9.016 1.241 1.00 1.79 O ATOM 650 CB LEU A 190 7.321 -7.419 -1.594 1.00 1.80 C ATOM 651 CG LEU A 190 7.127 -7.633 -3.095 1.00 2.15 C ATOM 652 CD1 LEU A 190 6.572 -6.384 -3.740 1.00 2.28 C ATOM 653 CD2 LEU A 190 8.425 -8.047 -3.765 1.00 2.37 C ATOM 0 H LEU A 190 6.269 -9.673 -1.640 1.00 1.98 H new ATOM 0 HA LEU A 190 8.952 -8.705 -1.031 1.00 1.90 H new ATOM 0 HB2 LEU A 190 6.361 -7.147 -1.154 1.00 1.80 H new ATOM 0 HB3 LEU A 190 7.990 -6.571 -1.447 1.00 1.80 H new ATOM 0 HG LEU A 190 6.410 -8.443 -3.228 1.00 2.15 H new ATOM 0 HD11 LEU A 190 6.440 -6.554 -4.809 1.00 2.28 H new ATOM 0 HD12 LEU A 190 5.610 -6.139 -3.290 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.265 -5.557 -3.587 1.00 2.28 H new ATOM 0 HD21 LEU A 190 8.254 -8.191 -4.832 1.00 2.37 H new ATOM 0 HD22 LEU A 190 9.174 -7.268 -3.620 1.00 2.37 H new ATOM 0 HD23 LEU A 190 8.780 -8.979 -3.325 1.00 2.37 H new ATOM 665 N ILE A 191 8.534 -7.655 1.294 1.00 1.81 N ATOM 666 CA ILE A 191 8.460 -7.454 2.735 1.00 1.83 C ATOM 667 C ILE A 191 8.279 -5.981 3.087 1.00 1.70 C ATOM 668 O ILE A 191 8.841 -5.097 2.438 1.00 1.69 O ATOM 669 CB ILE A 191 9.717 -7.992 3.447 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.966 -7.231 2.992 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.867 -9.477 3.169 1.00 2.25 C ATOM 672 CD1 ILE A 191 12.201 -7.565 3.788 1.00 2.42 C ATOM 0 H ILE A 191 9.287 -7.145 0.833 1.00 1.81 H new ATOM 0 HA ILE A 191 7.589 -8.012 3.080 1.00 1.83 H new ATOM 0 HB ILE A 191 9.604 -7.841 4.521 1.00 2.08 H new ATOM 0 HG12 ILE A 191 11.152 -7.450 1.941 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.775 -6.160 3.065 1.00 2.17 H new ATOM 0 HG21 ILE A 191 10.757 -9.854 3.674 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.989 -10.007 3.538 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.964 -9.638 2.095 1.00 2.25 H new ATOM 0 HD11 ILE A 191 13.045 -6.989 3.409 1.00 2.42 H new ATOM 0 HD12 ILE A 191 12.035 -7.319 4.837 1.00 2.42 H new ATOM 0 HD13 ILE A 191 12.417 -8.629 3.695 1.00 2.42 H new ATOM 684 N PRO A 192 7.486 -5.703 4.134 1.00 1.68 N ATOM 685 CA PRO A 192 7.211 -4.335 4.591 1.00 1.62 C ATOM 686 C PRO A 192 8.375 -3.731 5.367 1.00 1.81 C ATOM 687 O PRO A 192 8.344 -2.560 5.745 1.00 1.84 O ATOM 688 CB PRO A 192 5.996 -4.511 5.504 1.00 1.67 C ATOM 689 CG PRO A 192 6.116 -5.900 6.033 1.00 1.84 C ATOM 690 CD PRO A 192 6.770 -6.710 4.945 1.00 1.78 C ATOM 0 HA PRO A 192 7.046 -3.653 3.757 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.998 -3.779 6.311 1.00 1.67 H new ATOM 0 HB3 PRO A 192 5.065 -4.376 4.954 1.00 1.67 H new ATOM 0 HG2 PRO A 192 6.713 -5.919 6.945 1.00 1.84 H new ATOM 0 HG3 PRO A 192 5.136 -6.306 6.285 1.00 1.84 H new ATOM 0 HD2 PRO A 192 7.454 -7.452 5.356 1.00 1.78 H new ATOM 0 HD3 PRO A 192 6.033 -7.250 4.351 1.00 1.78 H new ATOM 698 N GLU A 193 9.401 -4.536 5.594 1.00 2.01 N ATOM 699 CA GLU A 193 10.548 -4.120 6.388 1.00 2.24 C ATOM 700 C GLU A 193 11.396 -3.100 5.633 1.00 2.20 C ATOM 701 O GLU A 193 11.881 -2.127 6.212 1.00 2.35 O ATOM 702 CB GLU A 193 11.395 -5.340 6.749 1.00 2.47 C ATOM 703 CG GLU A 193 10.576 -6.485 7.321 1.00 2.64 C ATOM 704 CD GLU A 193 11.421 -7.659 7.761 1.00 2.94 C ATOM 705 OE1 GLU A 193 11.944 -7.625 8.894 1.00 3.24 O ATOM 706 OE2 GLU A 193 11.554 -8.627 6.984 1.00 3.32 O ATOM 0 H GLU A 193 9.463 -5.489 5.236 1.00 2.01 H new ATOM 0 HA GLU A 193 10.183 -3.648 7.300 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.921 -5.686 5.859 1.00 2.47 H new ATOM 0 HB3 GLU A 193 12.154 -5.046 7.474 1.00 2.47 H new ATOM 0 HG2 GLU A 193 9.999 -6.121 8.172 1.00 2.64 H new ATOM 0 HG3 GLU A 193 9.860 -6.821 6.571 1.00 2.64 H new ATOM 713 N CYS A 194 11.557 -3.316 4.337 1.00 2.09 N ATOM 714 CA CYS A 194 12.406 -2.454 3.528 1.00 2.14 C ATOM 715 C CYS A 194 11.621 -1.802 2.395 1.00 1.95 C ATOM 716 O CYS A 194 12.130 -1.637 1.297 1.00 2.06 O ATOM 717 CB CYS A 194 13.580 -3.255 2.963 1.00 2.29 C ATOM 718 SG CYS A 194 14.604 -4.038 4.229 1.00 2.85 S ATOM 0 H CYS A 194 11.113 -4.078 3.824 1.00 2.09 H new ATOM 0 HA CYS A 194 12.787 -1.660 4.170 1.00 2.14 H new ATOM 0 HB2 CYS A 194 13.195 -4.024 2.294 1.00 2.29 H new ATOM 0 HB3 CYS A 194 14.204 -2.593 2.362 1.00 2.29 H new ATOM 0 HG CYS A 194 15.571 -4.695 3.660 1.00 2.85 H new ATOM 724 N CYS A 195 10.380 -1.430 2.667 1.00 1.74 N ATOM 725 CA CYS A 195 9.548 -0.758 1.676 1.00 1.57 C ATOM 726 C CYS A 195 8.798 0.401 2.339 1.00 1.53 C ATOM 727 O CYS A 195 8.720 0.462 3.566 1.00 1.63 O ATOM 728 CB CYS A 195 8.552 -1.746 1.054 1.00 1.38 C ATOM 729 SG CYS A 195 9.323 -3.155 0.221 1.00 1.62 S ATOM 0 H CYS A 195 9.924 -1.582 3.567 1.00 1.74 H new ATOM 0 HA CYS A 195 10.185 -0.368 0.883 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.891 -2.119 1.837 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.928 -1.212 0.337 1.00 1.38 H new ATOM 0 HG CYS A 195 9.261 -4.201 0.990 1.00 1.62 H new ATOM 735 N ALA A 196 8.264 1.319 1.539 1.00 1.46 N ATOM 736 CA ALA A 196 7.534 2.472 2.067 1.00 1.48 C ATOM 737 C ALA A 196 6.275 2.731 1.274 1.00 1.27 C ATOM 738 O ALA A 196 6.286 2.643 0.064 1.00 1.25 O ATOM 739 CB ALA A 196 8.401 3.716 2.031 1.00 1.73 C ATOM 0 H ALA A 196 8.322 1.289 0.521 1.00 1.46 H new ATOM 0 HA ALA A 196 7.266 2.241 3.098 1.00 1.48 H new ATOM 0 HB1 ALA A 196 7.840 4.562 2.428 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.293 3.556 2.637 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.694 3.925 1.002 1.00 1.73 H new ATOM 745 N VAL A 197 5.193 3.073 1.935 1.00 1.22 N ATOM 746 CA VAL A 197 3.975 3.328 1.224 1.00 1.03 C ATOM 747 C VAL A 197 3.717 4.825 1.098 1.00 1.17 C ATOM 748 O VAL A 197 3.843 5.598 2.050 1.00 1.38 O ATOM 749 CB VAL A 197 2.790 2.579 1.846 1.00 0.96 C ATOM 750 CG1 VAL A 197 3.240 1.219 2.345 1.00 1.34 C ATOM 751 CG2 VAL A 197 2.118 3.381 2.932 1.00 1.38 C ATOM 0 H VAL A 197 5.137 3.178 2.948 1.00 1.22 H new ATOM 0 HA VAL A 197 4.089 2.938 0.213 1.00 1.03 H new ATOM 0 HB VAL A 197 2.039 2.430 1.071 1.00 0.96 H new ATOM 0 HG11 VAL A 197 2.392 0.694 2.785 1.00 1.34 H new ATOM 0 HG12 VAL A 197 3.634 0.638 1.511 1.00 1.34 H new ATOM 0 HG13 VAL A 197 4.018 1.347 3.098 1.00 1.34 H new ATOM 0 HG21 VAL A 197 1.285 2.811 3.343 1.00 1.38 H new ATOM 0 HG22 VAL A 197 2.836 3.596 3.723 1.00 1.38 H new ATOM 0 HG23 VAL A 197 1.746 4.317 2.516 1.00 1.38 H new ATOM 761 N TYR A 198 3.447 5.212 -0.122 1.00 1.15 N ATOM 762 CA TYR A 198 3.166 6.580 -0.492 1.00 1.34 C ATOM 763 C TYR A 198 1.791 6.677 -1.115 1.00 1.26 C ATOM 764 O TYR A 198 1.165 5.666 -1.432 1.00 1.14 O ATOM 765 CB TYR A 198 4.168 7.062 -1.536 1.00 1.63 C ATOM 766 CG TYR A 198 5.521 7.462 -1.014 1.00 1.72 C ATOM 767 CD1 TYR A 198 5.925 8.777 -1.108 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.404 6.535 -0.479 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.171 9.174 -0.685 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.656 6.922 -0.040 1.00 2.18 C ATOM 771 CZ TYR A 198 8.037 8.244 -0.150 1.00 2.48 C ATOM 772 OH TYR A 198 9.288 8.633 0.271 1.00 2.99 O ATOM 0 H TYR A 198 3.415 4.566 -0.911 1.00 1.15 H new ATOM 0 HA TYR A 198 3.228 7.189 0.410 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.304 6.271 -2.273 1.00 1.63 H new ATOM 0 HB3 TYR A 198 3.736 7.915 -2.060 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.249 9.510 -1.522 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.109 5.499 -0.405 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.470 10.208 -0.771 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.332 6.195 0.386 1.00 2.18 H new ATOM 0 HH TYR A 198 9.771 7.856 0.623 1.00 2.99 H new ATOM 782 N ARG A 199 1.345 7.896 -1.315 1.00 1.43 N ATOM 783 CA ARG A 199 0.137 8.156 -2.069 1.00 1.48 C ATOM 784 C ARG A 199 0.244 9.515 -2.734 1.00 1.74 C ATOM 785 O ARG A 199 0.631 10.494 -2.098 1.00 1.91 O ATOM 786 CB ARG A 199 -1.109 8.076 -1.183 1.00 1.43 C ATOM 787 CG ARG A 199 -1.019 8.895 0.090 1.00 1.49 C ATOM 788 CD ARG A 199 -2.269 8.739 0.935 1.00 1.54 C ATOM 789 NE ARG A 199 -3.454 9.296 0.276 1.00 1.88 N ATOM 790 CZ ARG A 199 -4.326 10.117 0.864 1.00 2.06 C ATOM 791 NH1 ARG A 199 -4.140 10.513 2.121 1.00 2.20 N ATOM 792 NH2 ARG A 199 -5.382 10.551 0.183 1.00 2.64 N ATOM 0 H ARG A 199 1.807 8.734 -0.961 1.00 1.43 H new ATOM 0 HA ARG A 199 0.031 7.387 -2.834 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.972 8.412 -1.758 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -1.288 7.034 -0.919 1.00 1.43 H new ATOM 0 HG2 ARG A 199 -0.147 8.583 0.665 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.876 9.946 -0.161 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -2.435 7.682 1.145 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -2.122 9.235 1.894 1.00 1.54 H new ATOM 0 HE ARG A 199 -3.623 9.039 -0.696 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -3.326 10.189 2.643 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -4.812 11.141 2.563 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -5.522 10.256 -0.783 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -6.052 11.179 0.627 1.00 2.64 H new ATOM 806 N ILE A 200 -0.054 9.567 -4.017 1.00 1.86 N ATOM 807 CA ILE A 200 0.079 10.804 -4.763 1.00 2.14 C ATOM 808 C ILE A 200 -1.159 11.664 -4.576 1.00 2.23 C ATOM 809 O ILE A 200 -2.290 11.218 -4.793 1.00 2.21 O ATOM 810 CB ILE A 200 0.354 10.553 -6.273 1.00 2.31 C ATOM 811 CG1 ILE A 200 1.852 10.326 -6.533 1.00 2.35 C ATOM 812 CG2 ILE A 200 -0.140 11.716 -7.127 1.00 2.60 C ATOM 813 CD1 ILE A 200 2.532 9.384 -5.562 1.00 2.31 C ATOM 0 H ILE A 200 -0.388 8.773 -4.563 1.00 1.86 H new ATOM 0 HA ILE A 200 0.945 11.335 -4.367 1.00 2.14 H new ATOM 0 HB ILE A 200 -0.195 9.654 -6.553 1.00 2.31 H new ATOM 0 HG12 ILE A 200 1.975 9.935 -7.543 1.00 2.35 H new ATOM 0 HG13 ILE A 200 2.362 11.289 -6.500 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.067 11.510 -8.177 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -1.214 11.840 -6.986 1.00 2.60 H new ATOM 0 HG23 ILE A 200 0.373 12.630 -6.829 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.585 9.287 -5.826 1.00 2.31 H new ATOM 0 HD12 ILE A 200 2.447 9.780 -4.550 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.054 8.405 -5.610 1.00 2.31 H new ATOM 825 N GLN A 201 -0.930 12.882 -4.131 1.00 2.38 N ATOM 826 CA GLN A 201 -1.984 13.853 -3.975 1.00 2.53 C ATOM 827 C GLN A 201 -1.765 14.938 -5.019 1.00 2.80 C ATOM 828 O GLN A 201 -1.371 14.623 -6.136 1.00 2.86 O ATOM 829 CB GLN A 201 -1.978 14.425 -2.552 1.00 2.58 C ATOM 830 CG GLN A 201 -3.345 14.907 -2.088 1.00 2.68 C ATOM 831 CD GLN A 201 -3.363 15.318 -0.629 1.00 2.82 C ATOM 832 OE1 GLN A 201 -2.364 15.789 -0.085 1.00 3.03 O ATOM 833 NE2 GLN A 201 -4.499 15.128 0.021 1.00 3.22 N ATOM 0 H GLN A 201 -0.006 13.224 -3.868 1.00 2.38 H new ATOM 0 HA GLN A 201 -2.962 13.394 -4.123 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.617 13.661 -1.863 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.273 15.255 -2.505 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.654 15.753 -2.702 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -4.077 14.115 -2.246 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -5.305 14.735 -0.465 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -4.569 15.374 1.008 1.00 3.22 H new ATOM 842 N ASP A 202 -1.972 16.194 -4.642 1.00 2.99 N ATOM 843 CA ASP A 202 -1.871 17.333 -5.564 1.00 3.26 C ATOM 844 C ASP A 202 -0.538 17.368 -6.316 1.00 3.36 C ATOM 845 O ASP A 202 0.390 18.072 -5.918 1.00 3.48 O ATOM 846 CB ASP A 202 -2.011 18.624 -4.776 1.00 3.44 C ATOM 847 CG ASP A 202 -2.150 19.838 -5.672 1.00 3.72 C ATOM 848 OD1 ASP A 202 -1.192 20.637 -5.754 1.00 3.97 O ATOM 849 OD2 ASP A 202 -3.213 19.994 -6.309 1.00 4.02 O ATOM 0 H ASP A 202 -2.216 16.458 -3.687 1.00 2.99 H new ATOM 0 HA ASP A 202 -2.668 17.224 -6.300 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -2.882 18.556 -4.124 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.140 18.749 -4.132 1.00 3.44 H new ATOM 854 N GLY A 203 -0.453 16.599 -7.395 1.00 3.34 N ATOM 855 CA GLY A 203 0.736 16.563 -8.224 1.00 3.46 C ATOM 856 C GLY A 203 1.976 16.090 -7.487 1.00 3.33 C ATOM 857 O GLY A 203 3.082 16.159 -8.028 1.00 3.47 O ATOM 0 H GLY A 203 -1.204 15.988 -7.715 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.556 15.906 -9.075 1.00 3.46 H new ATOM 0 HA3 GLY A 203 0.920 17.560 -8.625 1.00 3.46 H new ATOM 861 N GLU A 204 1.814 15.617 -6.255 1.00 3.11 N ATOM 862 CA GLU A 204 2.963 15.257 -5.449 1.00 3.04 C ATOM 863 C GLU A 204 2.734 13.970 -4.681 1.00 2.75 C ATOM 864 O GLU A 204 1.679 13.356 -4.769 1.00 2.61 O ATOM 865 CB GLU A 204 3.260 16.393 -4.489 1.00 3.15 C ATOM 866 CG GLU A 204 2.206 16.569 -3.422 1.00 3.02 C ATOM 867 CD GLU A 204 2.515 17.725 -2.501 1.00 3.20 C ATOM 868 OE1 GLU A 204 3.180 17.509 -1.466 1.00 3.45 O ATOM 869 OE2 GLU A 204 2.100 18.861 -2.810 1.00 3.48 O ATOM 0 H GLU A 204 0.910 15.477 -5.803 1.00 3.11 H new ATOM 0 HA GLU A 204 3.812 15.088 -6.111 1.00 3.04 H new ATOM 0 HB2 GLU A 204 4.223 16.213 -4.011 1.00 3.15 H new ATOM 0 HB3 GLU A 204 3.353 17.321 -5.054 1.00 3.15 H new ATOM 0 HG2 GLU A 204 1.237 16.732 -3.894 1.00 3.02 H new ATOM 0 HG3 GLU A 204 2.126 15.652 -2.838 1.00 3.02 H new ATOM 876 N LYS A 205 3.731 13.593 -3.911 1.00 2.71 N ATOM 877 CA LYS A 205 3.720 12.345 -3.179 1.00 2.46 C ATOM 878 C LYS A 205 3.634 12.590 -1.686 1.00 2.42 C ATOM 879 O LYS A 205 4.261 13.502 -1.155 1.00 2.62 O ATOM 880 CB LYS A 205 4.986 11.559 -3.482 1.00 2.49 C ATOM 881 CG LYS A 205 5.173 11.259 -4.947 1.00 2.61 C ATOM 882 CD LYS A 205 6.544 10.683 -5.236 1.00 2.75 C ATOM 883 CE LYS A 205 6.885 9.520 -4.318 1.00 2.53 C ATOM 884 NZ LYS A 205 7.927 8.638 -4.913 1.00 2.70 N ATOM 0 H LYS A 205 4.577 14.146 -3.774 1.00 2.71 H new ATOM 0 HA LYS A 205 2.844 11.777 -3.492 1.00 2.46 H new ATOM 0 HB2 LYS A 205 5.848 12.121 -3.122 1.00 2.49 H new ATOM 0 HB3 LYS A 205 4.963 10.621 -2.928 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.407 10.555 -5.274 1.00 2.61 H new ATOM 0 HG3 LYS A 205 5.034 12.173 -5.525 1.00 2.61 H new ATOM 0 HD2 LYS A 205 6.584 10.349 -6.273 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.295 11.465 -5.123 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.236 9.903 -3.360 1.00 2.53 H new ATOM 0 HE3 LYS A 205 5.985 8.938 -4.118 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 7.920 7.717 -4.430 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 7.728 8.500 -5.924 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 8.862 9.080 -4.801 1.00 2.70 H new ATOM 898 N LYS A 206 2.856 11.766 -1.025 1.00 2.19 N ATOM 899 CA LYS A 206 2.739 11.808 0.423 1.00 2.19 C ATOM 900 C LYS A 206 3.176 10.471 1.005 1.00 2.01 C ATOM 901 O LYS A 206 2.558 9.444 0.728 1.00 1.82 O ATOM 902 CB LYS A 206 1.293 12.095 0.845 1.00 2.17 C ATOM 903 CG LYS A 206 0.701 13.359 0.244 1.00 2.38 C ATOM 904 CD LYS A 206 1.455 14.605 0.678 1.00 2.68 C ATOM 905 CE LYS A 206 0.755 15.860 0.185 1.00 2.93 C ATOM 906 NZ LYS A 206 1.496 17.097 0.532 1.00 3.25 N ATOM 0 H LYS A 206 2.285 11.047 -1.470 1.00 2.19 H new ATOM 0 HA LYS A 206 3.378 12.607 0.799 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.670 11.247 0.562 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.253 12.171 1.932 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.718 13.286 -0.843 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.344 13.446 0.541 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.531 14.629 1.765 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.472 14.574 0.288 1.00 2.68 H new ATOM 0 HE2 LYS A 206 0.635 15.804 -0.897 1.00 2.93 H new ATOM 0 HE3 LYS A 206 -0.245 15.907 0.615 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 0.902 17.926 0.327 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 1.737 17.085 1.544 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 2.369 17.149 -0.031 1.00 3.25 H new ATOM 920 N PRO A 207 4.264 10.452 1.785 1.00 2.11 N ATOM 921 CA PRO A 207 4.715 9.237 2.444 1.00 2.00 C ATOM 922 C PRO A 207 3.876 8.917 3.670 1.00 1.97 C ATOM 923 O PRO A 207 3.743 9.731 4.587 1.00 2.17 O ATOM 924 CB PRO A 207 6.159 9.533 2.823 1.00 2.22 C ATOM 925 CG PRO A 207 6.269 11.024 2.887 1.00 2.47 C ATOM 926 CD PRO A 207 5.133 11.604 2.077 1.00 2.38 C ATOM 0 HA PRO A 207 4.623 8.362 1.801 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.411 9.081 3.782 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.848 9.122 2.086 1.00 2.22 H new ATOM 0 HG2 PRO A 207 6.216 11.367 3.920 1.00 2.47 H new ATOM 0 HG3 PRO A 207 7.229 11.354 2.490 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.599 12.373 2.636 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.496 12.070 1.161 1.00 2.38 H new ATOM 934 N ILE A 208 3.310 7.729 3.671 1.00 1.77 N ATOM 935 CA ILE A 208 2.361 7.329 4.701 1.00 1.77 C ATOM 936 C ILE A 208 3.057 6.579 5.836 1.00 1.91 C ATOM 937 O ILE A 208 4.153 6.046 5.665 1.00 1.91 O ATOM 938 CB ILE A 208 1.285 6.425 4.080 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.721 7.076 2.822 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.165 6.141 5.067 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.094 6.095 1.863 1.00 1.18 C ATOM 0 H ILE A 208 3.489 7.014 2.966 1.00 1.77 H new ATOM 0 HA ILE A 208 1.906 8.229 5.114 1.00 1.77 H new ATOM 0 HB ILE A 208 1.751 5.475 3.818 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.025 7.817 3.110 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.521 7.611 2.310 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.580 5.499 4.597 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.572 5.641 5.946 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.302 7.079 5.367 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.285 6.629 0.992 1.00 1.18 H new ATOM 0 HD12 ILE A 208 0.842 5.368 1.545 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.728 5.578 2.358 1.00 1.18 H new ATOM 953 N GLY A 209 2.408 6.543 6.991 1.00 2.07 N ATOM 954 CA GLY A 209 2.927 5.801 8.118 1.00 2.25 C ATOM 955 C GLY A 209 2.373 4.396 8.142 1.00 2.13 C ATOM 956 O GLY A 209 1.256 4.161 7.681 1.00 2.01 O ATOM 0 H GLY A 209 1.523 7.020 7.167 1.00 2.07 H new ATOM 0 HA2 GLY A 209 4.015 5.766 8.065 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.669 6.313 9.045 1.00 2.25 H new ATOM 960 N TRP A 210 3.129 3.464 8.690 1.00 2.20 N ATOM 961 CA TRP A 210 2.757 2.060 8.623 1.00 2.11 C ATOM 962 C TRP A 210 1.650 1.701 9.611 1.00 2.30 C ATOM 963 O TRP A 210 1.043 0.633 9.507 1.00 2.25 O ATOM 964 CB TRP A 210 3.983 1.167 8.821 1.00 2.18 C ATOM 965 CG TRP A 210 4.858 1.114 7.605 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.905 1.937 7.306 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.743 0.196 6.511 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.452 1.581 6.096 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.755 0.516 5.588 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.884 -0.868 6.226 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.927 -0.189 4.401 1.00 1.40 C ATOM 972 CZ3 TRP A 210 4.057 -1.567 5.046 1.00 1.31 C ATOM 973 CH2 TRP A 210 5.073 -1.225 4.147 1.00 1.24 C ATOM 0 H TRP A 210 4.001 3.650 9.185 1.00 2.20 H new ATOM 0 HA TRP A 210 2.354 1.882 7.626 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.564 1.535 9.667 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.657 0.158 9.074 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.253 2.748 7.928 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.248 2.036 5.649 1.00 1.86 H new ATOM 0 HE3 TRP A 210 3.098 -1.140 6.915 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.709 0.074 3.704 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 3.397 -2.390 4.814 1.00 1.31 H new ATOM 0 HH2 TRP A 210 5.185 -1.791 3.234 1.00 1.24 H new ATOM 984 N ASP A 211 1.366 2.592 10.552 1.00 2.54 N ATOM 985 CA ASP A 211 0.334 2.352 11.533 1.00 2.76 C ATOM 986 C ASP A 211 -0.929 3.110 11.174 1.00 2.71 C ATOM 987 O ASP A 211 -1.845 3.238 11.985 1.00 2.92 O ATOM 988 CB ASP A 211 0.804 2.791 12.905 1.00 3.09 C ATOM 989 CG ASP A 211 1.820 1.853 13.510 1.00 3.39 C ATOM 990 OD1 ASP A 211 3.009 2.229 13.567 1.00 3.79 O ATOM 991 OD2 ASP A 211 1.437 0.742 13.937 1.00 3.79 O ATOM 0 H ASP A 211 1.842 3.489 10.651 1.00 2.54 H new ATOM 0 HA ASP A 211 0.120 1.283 11.545 1.00 2.76 H new ATOM 0 HB2 ASP A 211 1.237 3.789 12.832 1.00 3.09 H new ATOM 0 HB3 ASP A 211 -0.056 2.865 13.571 1.00 3.09 H new ATOM 996 N THR A 212 -0.969 3.617 9.960 1.00 2.44 N ATOM 997 CA THR A 212 -2.108 4.378 9.492 1.00 2.39 C ATOM 998 C THR A 212 -3.240 3.440 9.083 1.00 2.29 C ATOM 999 O THR A 212 -3.013 2.455 8.380 1.00 2.10 O ATOM 1000 CB THR A 212 -1.698 5.272 8.308 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.710 6.217 8.741 1.00 2.33 O ATOM 1002 CG2 THR A 212 -2.892 6.013 7.722 1.00 2.12 C ATOM 0 H THR A 212 -0.220 3.515 9.275 1.00 2.44 H new ATOM 0 HA THR A 212 -2.462 5.014 10.303 1.00 2.39 H new ATOM 0 HB THR A 212 -1.287 4.630 7.528 1.00 2.18 H new ATOM 0 HG1 THR A 212 0.184 5.874 8.532 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.562 6.633 6.889 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.629 5.293 7.368 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.341 6.644 8.489 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.444 3.731 9.565 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.625 2.952 9.213 1.00 2.43 C ATOM 1012 C ASP A 213 -5.873 3.035 7.714 1.00 2.14 C ATOM 1013 O ASP A 213 -6.111 4.117 7.173 1.00 2.12 O ATOM 1014 CB ASP A 213 -6.846 3.460 9.980 1.00 2.70 C ATOM 1015 CG ASP A 213 -8.094 2.645 9.701 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -8.823 2.975 8.749 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -8.364 1.683 10.449 1.00 3.47 O ATOM 0 H ASP A 213 -4.627 4.505 10.204 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.454 1.911 9.486 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.634 3.437 11.049 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.030 4.501 9.714 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.812 1.894 7.048 1.00 1.95 N ATOM 1023 CA ILE A 214 -5.890 1.855 5.595 1.00 1.68 C ATOM 1024 C ILE A 214 -7.313 2.110 5.093 1.00 1.75 C ATOM 1025 O ILE A 214 -7.519 2.446 3.926 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.357 0.517 5.041 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.460 0.489 3.513 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -6.092 -0.657 5.663 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.062 -0.829 2.905 1.00 1.17 C ATOM 0 H ILE A 214 -5.709 0.981 7.490 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.256 2.660 5.223 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.304 0.428 5.310 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.485 0.719 3.222 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -4.828 1.275 3.100 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.699 -1.589 5.257 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.950 -0.644 6.744 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -7.155 -0.582 5.436 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.160 -0.774 1.821 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.027 -1.052 3.165 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.710 -1.617 3.289 1.00 1.17 H new ATOM 1041 N SER A 215 -8.295 1.994 5.975 1.00 2.01 N ATOM 1042 CA SER A 215 -9.677 2.227 5.585 1.00 2.14 C ATOM 1043 C SER A 215 -9.881 3.705 5.244 1.00 2.17 C ATOM 1044 O SER A 215 -10.836 4.082 4.562 1.00 2.27 O ATOM 1045 CB SER A 215 -10.629 1.784 6.700 1.00 2.43 C ATOM 1046 OG SER A 215 -11.982 1.817 6.280 1.00 2.91 O ATOM 0 H SER A 215 -8.163 1.743 6.955 1.00 2.01 H new ATOM 0 HA SER A 215 -9.901 1.635 4.698 1.00 2.14 H new ATOM 0 HB2 SER A 215 -10.372 0.774 7.018 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.501 2.433 7.566 1.00 2.43 H new ATOM 0 HG SER A 215 -12.559 2.004 7.050 1.00 2.91 H new ATOM 1052 N TRP A 216 -8.959 4.539 5.710 1.00 2.14 N ATOM 1053 CA TRP A 216 -8.977 5.962 5.404 1.00 2.20 C ATOM 1054 C TRP A 216 -8.449 6.209 3.995 1.00 1.97 C ATOM 1055 O TRP A 216 -8.696 7.257 3.396 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.109 6.716 6.417 1.00 2.34 C ATOM 1057 CG TRP A 216 -8.194 8.210 6.313 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -9.327 8.964 6.208 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -7.098 9.132 6.324 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -9.001 10.298 6.144 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -7.639 10.426 6.214 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -5.711 8.987 6.412 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -6.841 11.567 6.192 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -4.920 10.121 6.390 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -5.487 11.396 6.282 1.00 4.80 C ATOM 0 H TRP A 216 -8.184 4.250 6.306 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.004 6.321 5.463 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -8.402 6.416 7.423 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -7.070 6.413 6.284 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -10.332 8.570 6.179 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -9.665 11.067 6.058 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -5.265 8.007 6.496 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -7.276 12.552 6.107 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -3.847 10.021 6.457 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -4.842 12.262 6.269 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.742 5.226 3.457 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.035 5.403 2.199 1.00 1.56 C ATOM 1078 C LEU A 217 -7.785 4.745 1.048 1.00 1.52 C ATOM 1079 O LEU A 217 -7.228 4.554 -0.034 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.624 4.817 2.294 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.955 4.910 3.664 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -3.622 4.180 3.654 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -4.765 6.364 4.052 1.00 1.78 C ATOM 0 H LEU A 217 -7.643 4.299 3.872 1.00 1.74 H new ATOM 0 HA LEU A 217 -6.970 6.473 2.003 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.667 3.768 2.002 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -4.991 5.325 1.566 1.00 1.37 H new ATOM 0 HG LEU A 217 -5.599 4.434 4.403 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -3.158 4.256 4.638 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -3.784 3.130 3.409 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -2.967 4.630 2.908 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -4.287 6.420 5.030 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -4.136 6.859 3.312 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -5.735 6.859 4.093 1.00 1.78 H new ATOM 1095 N THR A 218 -9.043 4.389 1.282 1.00 1.67 N ATOM 1096 CA THR A 218 -9.867 3.787 0.243 1.00 1.73 C ATOM 1097 C THR A 218 -10.025 4.747 -0.936 1.00 1.80 C ATOM 1098 O THR A 218 -9.950 5.968 -0.775 1.00 1.87 O ATOM 1099 CB THR A 218 -11.275 3.448 0.757 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.220 2.990 2.115 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.928 2.380 -0.109 1.00 2.03 C ATOM 0 H THR A 218 -9.513 4.507 2.180 1.00 1.67 H new ATOM 0 HA THR A 218 -9.361 2.872 -0.065 1.00 1.73 H new ATOM 0 HB THR A 218 -11.873 4.358 0.708 1.00 1.96 H new ATOM 0 HG1 THR A 218 -11.212 3.761 2.720 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.923 2.158 0.276 1.00 2.03 H new ATOM 0 HG22 THR A 218 -12.008 2.741 -1.134 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.321 1.475 -0.090 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.248 4.188 -2.111 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.463 4.992 -3.302 1.00 2.01 C ATOM 1111 C GLY A 219 -9.199 5.650 -3.827 1.00 1.92 C ATOM 1112 O GLY A 219 -9.223 6.296 -4.876 1.00 2.12 O ATOM 0 H GLY A 219 -10.285 3.181 -2.267 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -10.886 4.362 -4.084 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.200 5.764 -3.081 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.102 5.498 -3.102 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.828 6.063 -3.513 1.00 1.64 C ATOM 1118 C GLU A 220 -5.969 4.994 -4.170 1.00 1.53 C ATOM 1119 O GLU A 220 -6.276 3.805 -4.092 1.00 1.46 O ATOM 1120 CB GLU A 220 -6.078 6.633 -2.305 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.772 7.806 -1.632 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.805 9.044 -2.502 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -5.839 9.839 -2.450 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -7.796 9.233 -3.235 1.00 2.61 O ATOM 0 H GLU A 220 -8.070 4.985 -2.221 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.026 6.864 -4.225 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -5.939 5.839 -1.571 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.085 6.949 -2.625 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.792 7.520 -1.375 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -6.261 8.037 -0.697 1.00 1.91 H new ATOM 1131 N GLU A 221 -4.917 5.422 -4.838 1.00 1.59 N ATOM 1132 CA GLU A 221 -3.895 4.506 -5.312 1.00 1.54 C ATOM 1133 C GLU A 221 -2.610 4.770 -4.563 1.00 1.38 C ATOM 1134 O GLU A 221 -2.128 5.902 -4.500 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.675 4.642 -6.819 1.00 1.83 C ATOM 1136 CG GLU A 221 -4.858 4.169 -7.646 1.00 2.05 C ATOM 1137 CD GLU A 221 -4.680 4.409 -9.129 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -4.815 3.448 -9.916 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -4.414 5.567 -9.519 1.00 3.06 O ATOM 0 H GLU A 221 -4.746 6.401 -5.066 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.227 3.485 -5.126 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.470 5.686 -7.056 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.791 4.071 -7.103 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -5.012 3.104 -7.472 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -5.759 4.681 -7.307 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.070 3.727 -3.986 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.874 3.831 -3.191 1.00 1.01 C ATOM 1148 C LEU A 222 0.335 3.495 -4.045 1.00 1.13 C ATOM 1149 O LEU A 222 0.211 2.824 -5.062 1.00 1.30 O ATOM 1150 CB LEU A 222 -0.968 2.880 -1.999 1.00 0.74 C ATOM 1151 CG LEU A 222 -2.060 3.206 -0.972 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -1.881 2.366 0.283 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -2.061 4.685 -0.625 1.00 1.24 C ATOM 0 H LEU A 222 -2.447 2.782 -4.054 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.768 4.850 -2.819 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.138 1.871 -2.375 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.005 2.871 -1.488 1.00 0.74 H new ATOM 0 HG LEU A 222 -3.024 2.963 -1.419 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -2.665 2.611 1.000 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -1.943 1.309 0.025 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -0.907 2.575 0.725 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.845 4.887 0.105 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -1.094 4.961 -0.204 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -2.245 5.270 -1.526 1.00 1.24 H new ATOM 1165 N HIS A 223 1.493 3.984 -3.653 1.00 1.13 N ATOM 1166 CA HIS A 223 2.730 3.681 -4.358 1.00 1.30 C ATOM 1167 C HIS A 223 3.789 3.286 -3.350 1.00 1.19 C ATOM 1168 O HIS A 223 4.159 4.081 -2.497 1.00 1.19 O ATOM 1169 CB HIS A 223 3.220 4.884 -5.176 1.00 1.64 C ATOM 1170 CG HIS A 223 2.280 5.321 -6.259 1.00 1.93 C ATOM 1171 ND1 HIS A 223 1.209 6.147 -6.220 1.00 2.62 N flip ATOM 1172 CD2 HIS A 223 2.400 4.915 -7.570 1.00 2.09 C flip ATOM 1173 CE1 HIS A 223 0.708 6.224 -7.494 1.00 3.31 C flip ATOM 1174 NE2 HIS A 223 1.442 5.473 -8.290 1.00 2.97 N flip ATOM 0 H HIS A 223 1.608 4.597 -2.846 1.00 1.13 H new ATOM 0 HA HIS A 223 2.541 2.861 -5.050 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.391 5.722 -4.500 1.00 1.64 H new ATOM 0 HB3 HIS A 223 4.182 4.635 -5.625 1.00 1.64 H new ATOM 0 HD2 HIS A 223 3.158 4.246 -7.950 1.00 2.09 H new ATOM 0 HE1 HIS A 223 -0.150 6.806 -7.796 1.00 3.31 H new ATOM 0 HE2 HIS A 223 1.296 5.344 -9.291 1.00 2.97 H new ATOM 1183 N VAL A 224 4.268 2.064 -3.434 1.00 1.19 N ATOM 1184 CA VAL A 224 5.230 1.577 -2.468 1.00 1.14 C ATOM 1185 C VAL A 224 6.638 1.612 -3.040 1.00 1.40 C ATOM 1186 O VAL A 224 6.888 1.180 -4.168 1.00 1.58 O ATOM 1187 CB VAL A 224 4.892 0.153 -1.979 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.869 -0.302 -0.900 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.472 0.100 -1.447 1.00 1.10 C ATOM 0 H VAL A 224 4.009 1.392 -4.157 1.00 1.19 H new ATOM 0 HA VAL A 224 5.179 2.244 -1.608 1.00 1.14 H new ATOM 0 HB VAL A 224 4.979 -0.523 -2.829 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.608 -1.309 -0.573 1.00 1.23 H new ATOM 0 HG12 VAL A 224 6.882 -0.303 -1.303 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.817 0.380 -0.051 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.249 -0.911 -1.106 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.370 0.795 -0.614 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.776 0.378 -2.239 1.00 1.10 H new ATOM 1199 N GLU A 225 7.539 2.131 -2.232 1.00 1.47 N ATOM 1200 CA GLU A 225 8.929 2.286 -2.587 1.00 1.74 C ATOM 1201 C GLU A 225 9.730 1.275 -1.796 1.00 1.75 C ATOM 1202 O GLU A 225 9.181 0.579 -0.949 1.00 1.70 O ATOM 1203 CB GLU A 225 9.401 3.694 -2.230 1.00 1.91 C ATOM 1204 CG GLU A 225 8.420 4.783 -2.616 1.00 1.95 C ATOM 1205 CD GLU A 225 8.303 4.995 -4.114 1.00 2.31 C ATOM 1206 OE1 GLU A 225 7.717 4.142 -4.808 1.00 2.72 O ATOM 1207 OE2 GLU A 225 8.792 6.034 -4.602 1.00 2.74 O ATOM 0 H GLU A 225 7.319 2.462 -1.293 1.00 1.47 H new ATOM 0 HA GLU A 225 9.062 2.130 -3.657 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.583 3.745 -1.156 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.354 3.884 -2.724 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.437 4.533 -2.215 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.727 5.719 -2.148 1.00 1.95 H new ATOM 1214 N VAL A 226 11.010 1.183 -2.065 1.00 1.95 N ATOM 1215 CA VAL A 226 11.871 0.284 -1.319 1.00 2.02 C ATOM 1216 C VAL A 226 12.894 1.079 -0.513 1.00 2.19 C ATOM 1217 O VAL A 226 13.724 1.791 -1.080 1.00 2.37 O ATOM 1218 CB VAL A 226 12.595 -0.690 -2.243 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.303 -1.784 -1.459 1.00 2.61 C ATOM 1220 CG2 VAL A 226 11.629 -1.290 -3.244 1.00 2.56 C ATOM 0 H VAL A 226 11.483 1.718 -2.794 1.00 1.95 H new ATOM 0 HA VAL A 226 11.239 -0.291 -0.642 1.00 2.02 H new ATOM 0 HB VAL A 226 13.356 -0.129 -2.785 1.00 2.21 H new ATOM 0 HG11 VAL A 226 13.808 -2.459 -2.150 1.00 2.61 H new ATOM 0 HG12 VAL A 226 14.037 -1.335 -0.790 1.00 2.61 H new ATOM 0 HG13 VAL A 226 12.573 -2.343 -0.874 1.00 2.61 H new ATOM 0 HG21 VAL A 226 12.163 -1.982 -3.895 1.00 2.56 H new ATOM 0 HG22 VAL A 226 10.841 -1.825 -2.714 1.00 2.56 H new ATOM 0 HG23 VAL A 226 11.187 -0.495 -3.845 1.00 2.56 H new ATOM 1230 N LEU A 227 12.818 0.975 0.802 1.00 2.19 N ATOM 1231 CA LEU A 227 13.740 1.666 1.687 1.00 2.40 C ATOM 1232 C LEU A 227 15.048 0.896 1.800 1.00 2.69 C ATOM 1233 O LEU A 227 15.153 -0.064 2.566 1.00 2.86 O ATOM 1234 CB LEU A 227 13.109 1.836 3.070 1.00 2.48 C ATOM 1235 CG LEU A 227 12.192 3.051 3.265 1.00 2.38 C ATOM 1236 CD1 LEU A 227 11.775 3.670 1.939 1.00 2.74 C ATOM 1237 CD2 LEU A 227 10.970 2.638 4.066 1.00 2.55 C ATOM 0 H LEU A 227 12.118 0.412 1.285 1.00 2.19 H new ATOM 0 HA LEU A 227 13.952 2.650 1.269 1.00 2.40 H new ATOM 0 HB2 LEU A 227 12.535 0.937 3.295 1.00 2.48 H new ATOM 0 HB3 LEU A 227 13.912 1.894 3.805 1.00 2.48 H new ATOM 0 HG LEU A 227 12.750 3.812 3.811 1.00 2.38 H new ATOM 0 HD11 LEU A 227 11.127 4.526 2.125 1.00 2.74 H new ATOM 0 HD12 LEU A 227 12.661 3.997 1.395 1.00 2.74 H new ATOM 0 HD13 LEU A 227 11.238 2.931 1.345 1.00 2.74 H new ATOM 0 HD21 LEU A 227 10.318 3.500 4.205 1.00 2.55 H new ATOM 0 HD22 LEU A 227 10.430 1.858 3.530 1.00 2.55 H new ATOM 0 HD23 LEU A 227 11.284 2.259 5.039 1.00 2.55 H new ATOM 1249 N GLU A 228 16.036 1.316 1.029 1.00 2.89 N ATOM 1250 CA GLU A 228 17.337 0.663 1.033 1.00 3.28 C ATOM 1251 C GLU A 228 18.416 1.627 1.501 1.00 3.62 C ATOM 1252 O GLU A 228 18.381 2.815 1.170 1.00 3.77 O ATOM 1253 CB GLU A 228 17.667 0.125 -0.356 1.00 3.52 C ATOM 1254 CG GLU A 228 16.662 -0.900 -0.847 1.00 3.43 C ATOM 1255 CD GLU A 228 16.957 -1.401 -2.243 1.00 3.89 C ATOM 1256 OE1 GLU A 228 16.716 -0.650 -3.209 1.00 4.27 O ATOM 1257 OE2 GLU A 228 17.420 -2.554 -2.380 1.00 4.21 O ATOM 0 H GLU A 228 15.963 2.108 0.390 1.00 2.89 H new ATOM 0 HA GLU A 228 17.300 -0.175 1.728 1.00 3.28 H new ATOM 0 HB2 GLU A 228 17.706 0.955 -1.062 1.00 3.52 H new ATOM 0 HB3 GLU A 228 18.659 -0.326 -0.339 1.00 3.52 H new ATOM 0 HG2 GLU A 228 16.650 -1.746 -0.159 1.00 3.43 H new ATOM 0 HG3 GLU A 228 15.665 -0.460 -0.829 1.00 3.43 H new ATOM 1264 N ASN A 229 19.365 1.104 2.274 1.00 3.90 N ATOM 1265 CA ASN A 229 20.434 1.907 2.860 1.00 4.35 C ATOM 1266 C ASN A 229 19.851 3.056 3.666 1.00 4.71 C ATOM 1267 O ASN A 229 19.985 4.224 3.299 1.00 5.25 O ATOM 1268 CB ASN A 229 21.392 2.447 1.790 1.00 4.89 C ATOM 1269 CG ASN A 229 22.198 1.357 1.108 1.00 5.38 C ATOM 1270 OD1 ASN A 229 22.473 0.277 1.824 1.00 6.02 O flip ATOM 1271 ND2 ASN A 229 22.581 1.489 -0.054 1.00 5.46 N flip ATOM 0 H ASN A 229 19.414 0.113 2.511 1.00 3.90 H new ATOM 0 HA ASN A 229 21.006 1.257 3.522 1.00 4.35 H new ATOM 0 HB2 ASN A 229 20.819 2.991 1.039 1.00 4.89 H new ATOM 0 HB3 ASN A 229 22.075 3.162 2.249 1.00 4.89 H new ATOM 0 HD21 ASN A 229 22.350 2.335 -0.574 1.00 5.46 H new ATOM 0 HD22 ASN A 229 23.130 0.752 -0.497 1.00 5.46 H new ATOM 1278 N VAL A 230 19.190 2.716 4.755 1.00 4.84 N ATOM 1279 CA VAL A 230 18.543 3.713 5.586 1.00 5.65 C ATOM 1280 C VAL A 230 19.461 4.167 6.721 1.00 6.11 C ATOM 1281 O VAL A 230 20.026 3.350 7.450 1.00 6.23 O ATOM 1282 CB VAL A 230 17.200 3.192 6.141 1.00 6.17 C ATOM 1283 CG1 VAL A 230 16.279 2.840 5.000 1.00 6.18 C ATOM 1284 CG2 VAL A 230 17.399 1.996 7.055 1.00 6.20 C ATOM 0 H VAL A 230 19.087 1.757 5.085 1.00 4.84 H new ATOM 0 HA VAL A 230 18.333 4.578 4.957 1.00 5.65 H new ATOM 0 HB VAL A 230 16.748 3.985 6.737 1.00 6.17 H new ATOM 0 HG11 VAL A 230 15.332 2.473 5.396 1.00 6.18 H new ATOM 0 HG12 VAL A 230 16.098 3.726 4.392 1.00 6.18 H new ATOM 0 HG13 VAL A 230 16.740 2.066 4.386 1.00 6.18 H new ATOM 0 HG21 VAL A 230 16.432 1.657 7.426 1.00 6.20 H new ATOM 0 HG22 VAL A 230 17.878 1.189 6.500 1.00 6.20 H new ATOM 0 HG23 VAL A 230 18.031 2.282 7.896 1.00 6.20 H new ATOM 1294 N PRO A 231 19.654 5.487 6.854 1.00 6.66 N ATOM 1295 CA PRO A 231 20.517 6.061 7.887 1.00 7.30 C ATOM 1296 C PRO A 231 19.840 6.134 9.254 1.00 7.91 C ATOM 1297 O PRO A 231 20.501 6.315 10.277 1.00 8.56 O ATOM 1298 CB PRO A 231 20.798 7.464 7.355 1.00 7.94 C ATOM 1299 CG PRO A 231 19.586 7.817 6.563 1.00 7.85 C ATOM 1300 CD PRO A 231 19.071 6.527 5.979 1.00 6.99 C ATOM 0 HA PRO A 231 21.409 5.457 8.054 1.00 7.30 H new ATOM 0 HB2 PRO A 231 20.959 8.171 8.169 1.00 7.94 H new ATOM 0 HB3 PRO A 231 21.695 7.481 6.736 1.00 7.94 H new ATOM 0 HG2 PRO A 231 18.832 8.286 7.195 1.00 7.85 H new ATOM 0 HG3 PRO A 231 19.830 8.530 5.776 1.00 7.85 H new ATOM 0 HD2 PRO A 231 17.982 6.491 5.986 1.00 6.99 H new ATOM 0 HD3 PRO A 231 19.387 6.402 4.943 1.00 6.99 H new ATOM 1308 N LEU A 232 18.524 5.984 9.272 1.00 7.96 N ATOM 1309 CA LEU A 232 17.763 6.100 10.506 1.00 8.80 C ATOM 1310 C LEU A 232 17.297 4.727 10.979 1.00 9.24 C ATOM 1311 O LEU A 232 17.967 4.136 11.851 1.00 9.53 O ATOM 1312 CB LEU A 232 16.567 7.035 10.297 1.00 9.17 C ATOM 1313 CG LEU A 232 15.753 7.358 11.552 1.00 9.63 C ATOM 1314 CD1 LEU A 232 16.616 8.069 12.584 1.00 10.10 C ATOM 1315 CD2 LEU A 232 14.541 8.208 11.192 1.00 10.02 C ATOM 1316 OXT LEU A 232 16.269 4.235 10.468 1.00 9.52 O ATOM 0 H LEU A 232 17.961 5.782 8.446 1.00 7.96 H new ATOM 0 HA LEU A 232 18.406 6.523 11.277 1.00 8.80 H new ATOM 0 HB2 LEU A 232 16.930 7.970 9.870 1.00 9.17 H new ATOM 0 HB3 LEU A 232 15.902 6.585 9.560 1.00 9.17 H new ATOM 0 HG LEU A 232 15.404 6.422 11.987 1.00 9.63 H new ATOM 0 HD11 LEU A 232 16.018 8.290 13.468 1.00 10.10 H new ATOM 0 HD12 LEU A 232 17.453 7.428 12.862 1.00 10.10 H new ATOM 0 HD13 LEU A 232 16.996 8.999 12.162 1.00 10.10 H new ATOM 0 HD21 LEU A 232 13.971 8.430 12.094 1.00 10.02 H new ATOM 0 HD22 LEU A 232 14.873 9.140 10.734 1.00 10.02 H new ATOM 0 HD23 LEU A 232 13.910 7.663 10.490 1.00 10.02 H new TER 1328 LEU A 232 HETATM 1329 C1 6FS A 301 -11.739 -10.304 -4.349 1.00 3.29 C HETATM 1330 C2 6FS A 301 -10.775 -11.067 -5.016 1.00 3.29 C HETATM 1331 C3 6FS A 301 -9.424 -10.748 -4.927 1.00 2.95 C HETATM 1332 C5 6FS A 301 -9.993 -8.876 -3.488 1.00 2.66 C HETATM 1333 C6 6FS A 301 -11.350 -9.206 -3.583 1.00 2.96 C HETATM 1334 C7 6FS A 301 -11.723 -7.385 -2.196 1.00 2.75 C HETATM 1335 C8 6FS A 301 -7.437 -8.192 -3.341 1.00 2.39 C HETATM 1336 C10 6FS A 301 -12.500 -12.397 -5.811 1.00 4.10 C HETATM 1337 C11 6FS A 301 -6.952 -11.378 -5.469 1.00 2.90 C HETATM 1338 C12 6FS A 301 -4.150 -11.882 -6.181 1.00 2.77 C HETATM 1339 C13 6FS A 301 -4.852 -9.638 -6.870 1.00 2.69 C HETATM 1340 C14 6FS A 301 -4.561 -8.427 -7.490 1.00 2.61 C HETATM 1341 C15 6FS A 301 -3.289 -8.205 -8.011 1.00 2.60 C HETATM 1342 C16 6FS A 301 -2.316 -9.180 -7.901 1.00 2.84 C HETATM 1343 C19 6FS A 301 -4.018 -6.118 -8.708 1.00 2.56 C HETATM 1344 C21 6FS A 301 1.002 -9.327 -7.361 1.00 4.50 C HETATM 1345 O7 6FS A 301 0.909 -9.822 -6.216 1.00 4.92 O HETATM 1346 S1 6FS A 301 -5.904 -12.350 -6.476 1.00 3.00 S HETATM 1347 C18 6FS A 301 -3.870 -10.630 -6.759 1.00 2.66 C HETATM 1348 O8 6FS A 301 1.825 -8.463 -7.725 1.00 4.93 O HETATM 1349 O4 6FS A 301 -6.112 -13.842 -6.168 1.00 3.29 O HETATM 1350 O3 6FS A 301 -11.087 -12.157 -5.788 1.00 3.71 O HETATM 1351 O6 6FS A 301 -2.926 -7.049 -8.656 1.00 2.67 O HETATM 1352 C17 6FS A 301 -2.596 -10.393 -7.268 1.00 2.83 C HETATM 1353 C9 6FS A 301 -8.476 -11.549 -5.586 1.00 3.01 C HETATM 1354 O1 6FS A 301 -12.309 -8.469 -2.932 1.00 3.05 O HETATM 1355 C4 6FS A 301 -9.043 -9.643 -4.161 1.00 2.66 C HETATM 1356 C20 6FS A 301 0.013 -9.817 -8.413 1.00 3.90 C HETATM 1357 O5 6FS A 301 -6.256 -12.095 -7.950 1.00 3.37 O HETATM 1358 N1 6FS A 301 -1.129 -8.892 -8.441 1.00 3.31 N HETATM 1359 O2 6FS A 301 -7.717 -9.334 -4.151 1.00 2.53 O