USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 190 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 193 GLN : amide:sc= -0.0346 K(o=-0.035,f=-2.3!) USER MOD Set 2.1: A 191 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 173 TYR OH : rot 0:sc= -0.604 USER MOD Single : A 175 LYS NZ :NH3+ 162:sc= -0.0473 (180deg=-0.359) USER MOD Single : A 177 GLN : amide:sc= -4.98! C(o=-5!,f=-7.4!) USER MOD Single : A 184 TYR OH : rot -110:sc= -1.09 USER MOD Single : A 188 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 196 HIS : no HD1:sc= -1.61! C(o=-1.6!,f=-3.5!) USER MOD Single : A 202 MET CE :methyl -104:sc= -0.37 (180deg=-3.26!) USER MOD Single : A 203 LYS NZ :NH3+ -115:sc= 0.223 (180deg=-0.239) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 MET CE :methyl 170:sc= -2.17! (180deg=-2.32) USER MOD Single : A 213 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 THR OG1 : rot -179:sc= -0.325 USER MOD Single : A 216 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 223 CYS SG : rot -26:sc= 0.00751 USER MOD Single : A 224 SER OG : rot -38:sc= 0.271 USER MOD Single : A 226 ASN : amide:sc= 0.0549 K(o=0.055,f=-7.3!) USER MOD Single : A 227 GLN : amide:sc= -4.94! C(o=-4.9!,f=-5.3!) USER MOD Single : A 232 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.016) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-6.5!) USER MOD Single : A 249 LYS NZ :NH3+ 169:sc= -0.0498 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 55 N ALA A 168 -10.848 -8.193 -4.547 1.00 0.41 N ATOM 56 CA ALA A 168 -10.695 -8.783 -3.222 1.00 0.40 C ATOM 57 C ALA A 168 -9.636 -8.032 -2.429 1.00 0.31 C ATOM 58 O ALA A 168 -9.731 -7.893 -1.211 1.00 0.35 O ATOM 59 CB ALA A 168 -10.334 -10.257 -3.333 1.00 0.53 C ATOM 0 HA ALA A 168 -11.645 -8.702 -2.694 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -10.224 -10.681 -2.335 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -11.124 -10.786 -3.867 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -9.395 -10.362 -3.877 1.00 0.53 H new ATOM 65 N ALA A 169 -8.631 -7.538 -3.138 1.00 0.28 N ATOM 66 CA ALA A 169 -7.589 -6.739 -2.524 1.00 0.24 C ATOM 67 C ALA A 169 -8.071 -5.309 -2.321 1.00 0.20 C ATOM 68 O ALA A 169 -7.920 -4.741 -1.235 1.00 0.19 O ATOM 69 CB ALA A 169 -6.331 -6.765 -3.380 1.00 0.31 C ATOM 0 H ALA A 169 -8.518 -7.679 -4.142 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.350 -7.163 -1.549 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.557 -6.161 -2.907 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.980 -7.792 -3.480 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -6.554 -6.361 -4.367 1.00 0.31 H new ATOM 75 N LEU A 170 -8.681 -4.733 -3.361 1.00 0.21 N ATOM 76 CA LEU A 170 -9.111 -3.343 -3.308 1.00 0.19 C ATOM 77 C LEU A 170 -10.127 -3.119 -2.197 1.00 0.16 C ATOM 78 O LEU A 170 -9.883 -2.322 -1.291 1.00 0.17 O ATOM 79 CB LEU A 170 -9.712 -2.863 -4.631 1.00 0.23 C ATOM 80 CG LEU A 170 -10.020 -1.366 -4.650 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.738 -0.564 -4.791 1.00 0.29 C ATOM 82 CD2 LEU A 170 -11.004 -1.020 -5.751 1.00 0.29 C ATOM 0 H LEU A 170 -8.885 -5.208 -4.241 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.211 -2.762 -3.107 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -9.020 -3.094 -5.441 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.630 -3.418 -4.827 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.487 -1.103 -3.701 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -8.974 0.500 -4.803 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -8.079 -0.780 -3.950 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -8.239 -0.836 -5.721 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -11.202 0.052 -5.738 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.583 -1.299 -6.717 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.935 -1.563 -5.591 1.00 0.29 H new ATOM 94 N GLU A 171 -11.259 -3.819 -2.257 1.00 0.19 N ATOM 95 CA GLU A 171 -12.311 -3.619 -1.268 1.00 0.24 C ATOM 96 C GLU A 171 -11.855 -4.034 0.109 1.00 0.22 C ATOM 97 O GLU A 171 -12.311 -3.476 1.099 1.00 0.26 O ATOM 98 CB GLU A 171 -13.596 -4.358 -1.621 1.00 0.36 C ATOM 99 CG GLU A 171 -14.422 -3.641 -2.665 1.00 1.00 C ATOM 100 CD GLU A 171 -15.877 -4.052 -2.649 1.00 1.16 C ATOM 101 OE1 GLU A 171 -16.184 -5.161 -3.136 1.00 1.10 O ATOM 102 OE2 GLU A 171 -16.718 -3.280 -2.149 1.00 1.46 O ATOM 0 H GLU A 171 -11.467 -4.519 -2.969 1.00 0.19 H new ATOM 0 HA GLU A 171 -12.526 -2.550 -1.271 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -13.347 -5.355 -1.984 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -14.194 -4.488 -0.719 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -14.352 -2.566 -2.501 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -14.004 -3.841 -3.652 1.00 1.00 H new ATOM 109 N GLY A 172 -10.938 -4.986 0.168 1.00 0.19 N ATOM 110 CA GLY A 172 -10.429 -5.427 1.443 1.00 0.22 C ATOM 111 C GLY A 172 -9.813 -4.282 2.219 1.00 0.19 C ATOM 112 O GLY A 172 -10.135 -4.067 3.387 1.00 0.22 O ATOM 0 H GLY A 172 -10.539 -5.459 -0.643 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.237 -5.870 2.025 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -9.683 -6.207 1.289 1.00 0.22 H new ATOM 116 N TYR A 173 -8.931 -3.543 1.566 1.00 0.17 N ATOM 117 CA TYR A 173 -8.275 -2.420 2.210 1.00 0.16 C ATOM 118 C TYR A 173 -9.136 -1.157 2.165 1.00 0.16 C ATOM 119 O TYR A 173 -9.152 -0.408 3.123 1.00 0.18 O ATOM 120 CB TYR A 173 -6.911 -2.153 1.584 1.00 0.17 C ATOM 121 CG TYR A 173 -6.102 -1.128 2.345 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.700 -1.365 3.655 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.750 0.079 1.761 1.00 0.17 C ATOM 124 CE1 TYR A 173 -4.979 -0.424 4.360 1.00 0.20 C ATOM 125 CE2 TYR A 173 -5.023 1.022 2.457 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.643 0.767 3.755 1.00 0.19 C ATOM 127 OH TYR A 173 -3.934 1.712 4.455 1.00 0.24 O ATOM 0 H TYR A 173 -8.655 -3.700 0.597 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.133 -2.689 3.257 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.351 -3.087 1.535 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.049 -1.810 0.558 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -5.957 -2.301 4.128 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.050 0.284 0.744 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.680 -0.620 5.379 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.753 1.956 1.986 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.752 1.381 5.359 1.00 0.24 H new ATOM 137 N ARG A 174 -9.845 -0.902 1.062 1.00 0.18 N ATOM 138 CA ARG A 174 -10.722 0.273 0.975 1.00 0.23 C ATOM 139 C ARG A 174 -11.828 0.224 2.024 1.00 0.23 C ATOM 140 O ARG A 174 -12.201 1.271 2.556 1.00 0.25 O ATOM 141 CB ARG A 174 -11.334 0.451 -0.419 1.00 0.31 C ATOM 142 CG ARG A 174 -12.627 -0.320 -0.652 1.00 0.93 C ATOM 143 CD ARG A 174 -13.355 0.198 -1.878 1.00 0.74 C ATOM 144 NE ARG A 174 -14.608 -0.511 -2.128 1.00 1.05 N ATOM 145 CZ ARG A 174 -15.574 -0.045 -2.918 1.00 1.35 C ATOM 146 NH1 ARG A 174 -15.470 1.164 -3.458 1.00 1.31 N ATOM 147 NH2 ARG A 174 -16.654 -0.783 -3.157 1.00 2.09 N ATOM 0 H ARG A 174 -9.831 -1.485 0.225 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.086 1.136 1.171 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -11.525 1.511 -0.584 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -10.602 0.139 -1.164 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -12.405 -1.380 -0.777 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -13.271 -0.230 0.223 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -13.562 1.261 -1.751 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -12.707 0.101 -2.749 1.00 0.74 H new ATOM 0 HE ARG A 174 -14.751 -1.412 -1.672 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -14.649 1.738 -3.268 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -16.211 1.518 -4.063 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -16.744 -1.707 -2.735 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -17.393 -0.425 -3.762 1.00 2.09 H new ATOM 161 N LYS A 175 -12.339 -0.956 2.349 1.00 0.22 N ATOM 162 CA LYS A 175 -13.302 -1.058 3.437 1.00 0.25 C ATOM 163 C LYS A 175 -12.593 -0.751 4.760 1.00 0.24 C ATOM 164 O LYS A 175 -13.209 -0.306 5.729 1.00 0.29 O ATOM 165 CB LYS A 175 -13.950 -2.448 3.472 1.00 0.26 C ATOM 166 CG LYS A 175 -13.029 -3.534 3.999 1.00 0.89 C ATOM 167 CD LYS A 175 -13.767 -4.833 4.248 1.00 0.84 C ATOM 168 CE LYS A 175 -12.818 -5.940 4.675 1.00 1.71 C ATOM 169 NZ LYS A 175 -11.900 -5.502 5.763 1.00 2.34 N ATOM 0 H LYS A 175 -12.110 -1.836 1.888 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.101 -0.334 3.278 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.844 -2.408 4.094 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -14.274 -2.714 2.466 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -12.225 -3.706 3.284 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -12.565 -3.197 4.926 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -14.522 -4.682 5.020 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -14.293 -5.133 3.342 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -13.395 -6.801 5.013 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -12.232 -6.266 3.816 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -11.492 -6.337 6.230 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -11.136 -4.922 5.360 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -12.430 -4.941 6.460 1.00 2.34 H new ATOM 183 N GLU A 176 -11.277 -0.961 4.762 1.00 0.20 N ATOM 184 CA GLU A 176 -10.441 -0.726 5.929 1.00 0.18 C ATOM 185 C GLU A 176 -10.067 0.754 6.027 1.00 0.20 C ATOM 186 O GLU A 176 -9.641 1.230 7.078 1.00 0.44 O ATOM 187 CB GLU A 176 -9.158 -1.573 5.841 1.00 0.19 C ATOM 188 CG GLU A 176 -8.330 -1.583 7.117 1.00 0.24 C ATOM 189 CD GLU A 176 -8.949 -2.445 8.198 1.00 0.34 C ATOM 190 OE1 GLU A 176 -9.485 -3.528 7.873 1.00 0.70 O ATOM 191 OE2 GLU A 176 -8.888 -2.055 9.380 1.00 0.69 O ATOM 0 H GLU A 176 -10.763 -1.300 3.949 1.00 0.20 H new ATOM 0 HA GLU A 176 -11.003 -1.012 6.818 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.429 -2.598 5.589 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.542 -1.196 5.024 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.328 -1.948 6.894 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.223 -0.563 7.486 1.00 0.24 H new ATOM 198 N GLN A 177 -10.266 1.500 4.942 1.00 0.29 N ATOM 199 CA GLN A 177 -9.782 2.871 4.869 1.00 0.22 C ATOM 200 C GLN A 177 -10.864 3.834 5.313 1.00 0.25 C ATOM 201 O GLN A 177 -10.618 4.728 6.108 1.00 0.25 O ATOM 202 CB GLN A 177 -9.355 3.226 3.446 1.00 0.21 C ATOM 203 CG GLN A 177 -8.219 2.376 2.914 1.00 0.20 C ATOM 204 CD GLN A 177 -7.811 2.762 1.508 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.358 2.259 0.530 1.00 0.24 O ATOM 206 NE2 GLN A 177 -6.834 3.642 1.398 1.00 0.24 N ATOM 0 H GLN A 177 -10.756 1.178 4.108 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.920 2.954 5.530 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.214 3.122 2.783 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -9.055 4.274 3.418 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.359 2.470 3.577 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.518 1.328 2.927 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.406 4.036 2.236 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -6.507 3.928 0.475 1.00 0.24 H new ATOM 215 N GLU A 178 -12.070 3.627 4.809 1.00 0.27 N ATOM 216 CA GLU A 178 -13.187 4.507 5.130 1.00 0.31 C ATOM 217 C GLU A 178 -13.541 4.409 6.613 1.00 0.33 C ATOM 218 O GLU A 178 -14.048 5.354 7.216 1.00 0.36 O ATOM 219 CB GLU A 178 -14.395 4.169 4.253 1.00 0.35 C ATOM 220 CG GLU A 178 -14.770 2.699 4.227 1.00 0.39 C ATOM 221 CD GLU A 178 -15.850 2.416 3.203 1.00 0.46 C ATOM 222 OE1 GLU A 178 -16.997 2.862 3.407 1.00 0.71 O ATOM 223 OE2 GLU A 178 -15.548 1.786 2.168 1.00 0.41 O ATOM 0 H GLU A 178 -12.302 2.860 4.178 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.892 5.536 4.924 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.253 4.742 4.604 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -14.189 4.495 3.234 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -13.887 2.102 4.000 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -15.116 2.394 5.215 1.00 0.39 H new ATOM 230 N ARG A 179 -13.235 3.257 7.189 1.00 0.34 N ATOM 231 CA ARG A 179 -13.509 2.972 8.592 1.00 0.40 C ATOM 232 C ARG A 179 -12.440 3.597 9.501 1.00 0.35 C ATOM 233 O ARG A 179 -12.622 3.715 10.713 1.00 0.38 O ATOM 234 CB ARG A 179 -13.558 1.450 8.762 1.00 0.48 C ATOM 235 CG ARG A 179 -13.918 0.962 10.152 1.00 0.65 C ATOM 236 CD ARG A 179 -14.129 -0.543 10.142 1.00 0.83 C ATOM 237 NE ARG A 179 -14.361 -1.088 11.477 1.00 1.03 N ATOM 238 CZ ARG A 179 -15.221 -2.078 11.739 1.00 1.80 C ATOM 239 NH1 ARG A 179 -16.011 -2.550 10.777 1.00 2.15 N ATOM 240 NH2 ARG A 179 -15.305 -2.575 12.967 1.00 2.55 N ATOM 0 H ARG A 179 -12.786 2.487 6.694 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.464 3.410 8.883 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -14.282 1.046 8.055 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -12.585 1.040 8.492 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -13.124 1.221 10.853 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -14.823 1.461 10.497 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -14.979 -0.782 9.503 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -13.255 -1.025 9.704 1.00 0.83 H new ATOM 0 HE ARG A 179 -13.836 -0.690 12.256 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -15.961 -2.156 9.837 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -16.666 -3.305 10.980 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -14.714 -2.202 13.710 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -15.961 -3.330 13.168 1.00 2.55 H new ATOM 254 N LEU A 180 -11.339 4.022 8.898 1.00 0.30 N ATOM 255 CA LEU A 180 -10.209 4.588 9.640 1.00 0.28 C ATOM 256 C LEU A 180 -9.873 6.008 9.180 1.00 0.25 C ATOM 257 O LEU A 180 -9.149 6.727 9.866 1.00 0.24 O ATOM 258 CB LEU A 180 -8.972 3.699 9.482 1.00 0.28 C ATOM 259 CG LEU A 180 -9.107 2.276 10.031 1.00 0.33 C ATOM 260 CD1 LEU A 180 -7.814 1.502 9.824 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.482 2.302 11.504 1.00 0.38 C ATOM 0 H LEU A 180 -11.199 3.987 7.888 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.504 4.632 10.688 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.723 3.639 8.423 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -8.132 4.183 9.980 1.00 0.28 H new ATOM 0 HG LEU A 180 -9.904 1.772 9.484 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -7.927 0.493 10.220 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.587 1.451 8.759 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -7.000 2.007 10.345 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.573 1.281 11.874 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.709 2.825 12.067 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.434 2.819 11.628 1.00 0.38 H new ATOM 273 N GLY A 181 -10.394 6.414 8.034 1.00 0.24 N ATOM 274 CA GLY A 181 -10.106 7.743 7.523 1.00 0.22 C ATOM 275 C GLY A 181 -8.905 7.757 6.595 1.00 0.18 C ATOM 276 O GLY A 181 -8.521 8.809 6.079 1.00 0.18 O ATOM 0 H GLY A 181 -11.010 5.851 7.447 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.978 8.122 6.990 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.925 8.419 8.358 1.00 0.22 H new ATOM 280 N ILE A 182 -8.314 6.584 6.392 1.00 0.17 N ATOM 281 CA ILE A 182 -7.116 6.444 5.570 1.00 0.16 C ATOM 282 C ILE A 182 -7.407 6.823 4.120 1.00 0.15 C ATOM 283 O ILE A 182 -8.377 6.342 3.529 1.00 0.17 O ATOM 284 CB ILE A 182 -6.574 4.996 5.618 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.294 4.580 7.062 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.312 4.862 4.771 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.817 3.151 7.206 1.00 0.22 C ATOM 0 H ILE A 182 -8.650 5.707 6.790 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.362 7.119 5.975 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.334 4.333 5.205 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.543 5.248 7.483 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.202 4.711 7.650 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -4.948 3.836 4.820 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.539 5.118 3.736 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.545 5.537 5.151 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.640 2.931 8.259 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.576 2.473 6.816 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -4.891 3.018 6.647 1.00 0.22 H new ATOM 299 N PRO A 183 -6.579 7.704 3.535 1.00 0.14 N ATOM 300 CA PRO A 183 -6.734 8.123 2.144 1.00 0.15 C ATOM 301 C PRO A 183 -6.372 7.013 1.163 1.00 0.14 C ATOM 302 O PRO A 183 -5.411 6.266 1.360 1.00 0.16 O ATOM 303 CB PRO A 183 -5.765 9.299 2.010 1.00 0.20 C ATOM 304 CG PRO A 183 -4.730 9.066 3.055 1.00 0.24 C ATOM 305 CD PRO A 183 -5.430 8.362 4.188 1.00 0.15 C ATOM 0 HA PRO A 183 -7.766 8.383 1.910 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.321 9.333 1.015 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.275 10.250 2.164 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.913 8.459 2.665 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.296 10.008 3.390 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.777 7.637 4.674 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.754 9.064 4.956 1.00 0.15 H new ATOM 313 N TYR A 184 -7.176 6.917 0.114 1.00 0.15 N ATOM 314 CA TYR A 184 -7.006 5.926 -0.942 1.00 0.16 C ATOM 315 C TYR A 184 -5.660 6.077 -1.658 1.00 0.16 C ATOM 316 O TYR A 184 -5.031 5.090 -2.029 1.00 0.19 O ATOM 317 CB TYR A 184 -8.128 6.107 -1.954 1.00 0.17 C ATOM 318 CG TYR A 184 -8.900 4.848 -2.299 1.00 0.10 C ATOM 319 CD1 TYR A 184 -8.379 3.902 -3.170 1.00 0.23 C ATOM 320 CD2 TYR A 184 -10.171 4.630 -1.781 1.00 0.30 C ATOM 321 CE1 TYR A 184 -9.097 2.779 -3.515 1.00 0.27 C ATOM 322 CE2 TYR A 184 -10.892 3.501 -2.118 1.00 0.42 C ATOM 323 CZ TYR A 184 -10.347 2.581 -2.989 1.00 0.36 C ATOM 324 OH TYR A 184 -11.056 1.460 -3.342 1.00 0.50 O ATOM 0 H TYR A 184 -7.976 7.533 -0.031 1.00 0.15 H new ATOM 0 HA TYR A 184 -7.033 4.934 -0.491 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.828 6.848 -1.567 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.705 6.517 -2.871 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -7.393 4.049 -3.585 1.00 0.23 H new ATOM 0 HD2 TYR A 184 -10.601 5.354 -1.105 1.00 0.30 H new ATOM 0 HE1 TYR A 184 -8.676 2.056 -4.198 1.00 0.27 H new ATOM 0 HE2 TYR A 184 -11.876 3.340 -1.702 1.00 0.42 H new ATOM 0 HH TYR A 184 -11.814 1.717 -3.908 1.00 0.50 H new ATOM 334 N ASP A 185 -5.241 7.323 -1.863 1.00 0.16 N ATOM 335 CA ASP A 185 -4.006 7.615 -2.593 1.00 0.17 C ATOM 336 C ASP A 185 -2.806 7.579 -1.648 1.00 0.14 C ATOM 337 O ASP A 185 -2.846 8.147 -0.555 1.00 0.17 O ATOM 338 CB ASP A 185 -4.104 8.987 -3.271 1.00 0.27 C ATOM 339 CG ASP A 185 -2.961 9.244 -4.236 1.00 0.33 C ATOM 340 OD1 ASP A 185 -1.847 9.564 -3.782 1.00 0.58 O ATOM 341 OD2 ASP A 185 -3.173 9.118 -5.458 1.00 0.74 O ATOM 0 H ASP A 185 -5.739 8.150 -1.534 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.867 6.852 -3.359 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -5.050 9.056 -3.808 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.113 9.765 -2.508 1.00 0.27 H new ATOM 346 N PRO A 186 -1.722 6.901 -2.078 1.00 0.13 N ATOM 347 CA PRO A 186 -0.542 6.636 -1.241 1.00 0.11 C ATOM 348 C PRO A 186 0.161 7.891 -0.745 1.00 0.12 C ATOM 349 O PRO A 186 0.723 7.901 0.345 1.00 0.13 O ATOM 350 CB PRO A 186 0.403 5.861 -2.171 1.00 0.13 C ATOM 351 CG PRO A 186 -0.073 6.173 -3.544 1.00 0.20 C ATOM 352 CD PRO A 186 -1.558 6.336 -3.427 1.00 0.18 C ATOM 0 HA PRO A 186 -0.835 6.103 -0.337 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.438 6.172 -2.031 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.363 4.790 -1.972 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.393 7.083 -3.923 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.180 5.372 -4.238 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.953 7.002 -4.194 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -2.078 5.384 -3.532 1.00 0.18 H new ATOM 360 N ILE A 187 0.136 8.945 -1.548 1.00 0.13 N ATOM 361 CA ILE A 187 0.932 10.128 -1.265 1.00 0.17 C ATOM 362 C ILE A 187 0.432 10.886 -0.034 1.00 0.19 C ATOM 363 O ILE A 187 1.198 11.620 0.589 1.00 0.22 O ATOM 364 CB ILE A 187 0.997 11.083 -2.486 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.198 12.023 -2.367 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.286 11.890 -2.613 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.405 12.903 -3.583 1.00 0.55 C ATOM 0 H ILE A 187 -0.425 9.004 -2.398 1.00 0.13 H new ATOM 0 HA ILE A 187 1.939 9.769 -1.051 1.00 0.17 H new ATOM 0 HB ILE A 187 1.112 10.475 -3.383 1.00 0.25 H new ATOM 0 HG12 ILE A 187 2.067 12.656 -1.489 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.097 11.430 -2.201 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.216 12.552 -3.476 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.130 11.213 -2.743 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.433 12.484 -1.711 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.274 13.542 -3.426 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.568 12.278 -4.461 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.522 13.523 -3.738 1.00 0.55 H new ATOM 379 N HIS A 188 -0.836 10.723 0.339 1.00 0.18 N ATOM 380 CA HIS A 188 -1.371 11.458 1.480 1.00 0.20 C ATOM 381 C HIS A 188 -1.321 10.631 2.772 1.00 0.19 C ATOM 382 O HIS A 188 -1.804 11.086 3.811 1.00 0.22 O ATOM 383 CB HIS A 188 -2.813 11.913 1.215 1.00 0.25 C ATOM 384 CG HIS A 188 -2.983 12.766 -0.010 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.666 14.104 -0.006 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.453 12.427 -1.236 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.946 14.544 -1.222 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.424 13.566 -2.000 1.00 0.50 N ATOM 0 H HIS A 188 -1.500 10.101 -0.122 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.737 12.334 1.613 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.447 11.031 1.119 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.170 12.469 2.082 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.786 11.449 -1.550 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.806 15.565 -1.546 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.712 13.651 -2.975 1.00 0.50 H new ATOM 396 N TRP A 189 -0.736 9.431 2.724 1.00 0.18 N ATOM 397 CA TRP A 189 -0.688 8.578 3.917 1.00 0.19 C ATOM 398 C TRP A 189 0.206 9.199 4.989 1.00 0.20 C ATOM 399 O TRP A 189 1.140 9.944 4.684 1.00 0.20 O ATOM 400 CB TRP A 189 -0.113 7.184 3.625 1.00 0.18 C ATOM 401 CG TRP A 189 -0.914 6.290 2.731 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.268 6.249 2.581 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.382 5.255 1.893 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.611 5.270 1.676 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.467 4.644 1.244 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.919 4.795 1.621 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.297 3.595 0.341 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.088 3.754 0.724 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.015 3.165 0.094 1.00 0.12 C ATOM 0 H TRP A 189 -0.298 9.034 1.893 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.721 8.489 4.253 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.874 7.311 3.180 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.030 6.671 4.576 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -2.968 6.890 3.096 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.560 5.046 1.375 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.773 5.247 2.104 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.144 3.136 -0.148 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.082 3.392 0.508 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.145 2.355 -0.602 1.00 0.12 H new ATOM 420 N SER A 190 -0.086 8.895 6.243 1.00 0.23 N ATOM 421 CA SER A 190 0.855 9.150 7.315 1.00 0.25 C ATOM 422 C SER A 190 1.577 7.850 7.638 1.00 0.25 C ATOM 423 O SER A 190 1.089 6.786 7.271 1.00 0.25 O ATOM 424 CB SER A 190 0.131 9.704 8.541 1.00 0.29 C ATOM 425 OG SER A 190 -0.890 8.825 8.982 1.00 1.18 O ATOM 0 H SER A 190 -0.965 8.473 6.541 1.00 0.23 H new ATOM 0 HA SER A 190 1.584 9.900 7.006 1.00 0.25 H new ATOM 0 HB2 SER A 190 0.848 9.864 9.347 1.00 0.29 H new ATOM 0 HB3 SER A 190 -0.302 10.675 8.301 1.00 0.29 H new ATOM 0 HG SER A 190 -1.333 9.207 9.768 1.00 1.18 H new ATOM 431 N THR A 191 2.722 7.932 8.311 1.00 0.26 N ATOM 432 CA THR A 191 3.577 6.763 8.550 1.00 0.28 C ATOM 433 C THR A 191 2.786 5.556 9.061 1.00 0.25 C ATOM 434 O THR A 191 2.957 4.434 8.574 1.00 0.25 O ATOM 435 CB THR A 191 4.691 7.105 9.557 1.00 0.31 C ATOM 436 OG1 THR A 191 5.444 8.219 9.068 1.00 0.74 O ATOM 437 CG2 THR A 191 5.620 5.918 9.775 1.00 0.62 C ATOM 0 H THR A 191 3.085 8.800 8.705 1.00 0.26 H new ATOM 0 HA THR A 191 4.015 6.495 7.589 1.00 0.28 H new ATOM 0 HB THR A 191 4.228 7.355 10.512 1.00 0.31 H new ATOM 0 HG1 THR A 191 6.153 8.440 9.707 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.396 6.190 10.491 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.048 5.075 10.163 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.082 5.639 8.828 1.00 0.62 H new ATOM 445 N ASP A 192 1.911 5.802 10.021 1.00 0.24 N ATOM 446 CA ASP A 192 1.105 4.747 10.621 1.00 0.24 C ATOM 447 C ASP A 192 0.198 4.091 9.577 1.00 0.23 C ATOM 448 O ASP A 192 0.118 2.873 9.496 1.00 0.25 O ATOM 449 CB ASP A 192 0.283 5.336 11.772 1.00 0.29 C ATOM 450 CG ASP A 192 -0.507 4.300 12.537 1.00 1.06 C ATOM 451 OD1 ASP A 192 0.106 3.365 13.095 1.00 1.37 O ATOM 452 OD2 ASP A 192 -1.742 4.439 12.620 1.00 1.75 O ATOM 0 H ASP A 192 1.738 6.731 10.406 1.00 0.24 H new ATOM 0 HA ASP A 192 1.762 3.971 11.012 1.00 0.24 H new ATOM 0 HB2 ASP A 192 0.953 5.852 12.460 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.403 6.084 11.373 1.00 0.29 H new ATOM 457 N GLN A 193 -0.460 4.913 8.764 1.00 0.22 N ATOM 458 CA GLN A 193 -1.342 4.438 7.689 1.00 0.21 C ATOM 459 C GLN A 193 -0.548 3.870 6.513 1.00 0.17 C ATOM 460 O GLN A 193 -1.030 2.965 5.829 1.00 0.14 O ATOM 461 CB GLN A 193 -2.249 5.567 7.205 1.00 0.24 C ATOM 462 CG GLN A 193 -3.077 6.204 8.306 1.00 0.30 C ATOM 463 CD GLN A 193 -3.797 7.452 7.836 1.00 0.41 C ATOM 464 OE1 GLN A 193 -3.319 8.159 6.951 1.00 1.34 O ATOM 465 NE2 GLN A 193 -4.950 7.732 8.425 1.00 0.85 N ATOM 0 H GLN A 193 -0.400 5.929 8.828 1.00 0.22 H new ATOM 0 HA GLN A 193 -1.953 3.635 8.101 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.636 6.335 6.733 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -2.919 5.178 6.438 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -3.807 5.482 8.672 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.429 6.456 9.146 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -5.312 7.119 9.155 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -5.476 8.561 8.148 1.00 0.85 H new ATOM 474 N VAL A 194 0.644 4.387 6.278 1.00 0.16 N ATOM 475 CA VAL A 194 1.549 3.778 5.304 1.00 0.14 C ATOM 476 C VAL A 194 1.735 2.298 5.637 1.00 0.13 C ATOM 477 O VAL A 194 1.683 1.433 4.761 1.00 0.13 O ATOM 478 CB VAL A 194 2.931 4.478 5.284 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.892 3.771 4.344 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.796 5.935 4.884 1.00 0.17 C ATOM 0 H VAL A 194 1.011 5.219 6.740 1.00 0.16 H new ATOM 0 HA VAL A 194 1.101 3.891 4.317 1.00 0.14 H new ATOM 0 HB VAL A 194 3.336 4.428 6.295 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.853 4.285 4.352 1.00 0.17 H new ATOM 0 HG12 VAL A 194 4.029 2.741 4.672 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.484 3.779 3.333 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.780 6.403 4.878 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.357 6.000 3.888 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.154 6.450 5.598 1.00 0.17 H new ATOM 490 N LEU A 195 1.904 2.016 6.917 1.00 0.14 N ATOM 491 CA LEU A 195 2.066 0.651 7.392 1.00 0.14 C ATOM 492 C LEU A 195 0.743 0.039 7.852 1.00 0.12 C ATOM 493 O LEU A 195 0.705 -1.153 8.133 1.00 0.14 O ATOM 494 CB LEU A 195 3.138 0.543 8.477 1.00 0.16 C ATOM 495 CG LEU A 195 4.528 1.045 8.082 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.446 1.068 9.293 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.120 0.174 6.984 1.00 0.18 C ATOM 0 H LEU A 195 1.933 2.721 7.653 1.00 0.14 H new ATOM 0 HA LEU A 195 2.410 0.067 6.538 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.804 1.102 9.351 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.220 -0.501 8.779 1.00 0.16 H new ATOM 0 HG LEU A 195 4.431 2.061 7.700 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.431 1.427 8.996 1.00 0.23 H new ATOM 0 HD12 LEU A 195 5.031 1.732 10.052 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.535 0.061 9.701 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.109 0.547 6.717 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.204 -0.853 7.340 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.472 0.203 6.108 1.00 0.18 H new ATOM 509 N HIS A 196 -0.349 0.795 7.918 1.00 0.11 N ATOM 510 CA HIS A 196 -1.649 0.126 7.969 1.00 0.10 C ATOM 511 C HIS A 196 -1.838 -0.611 6.654 1.00 0.09 C ATOM 512 O HIS A 196 -2.203 -1.779 6.624 1.00 0.12 O ATOM 513 CB HIS A 196 -2.837 1.069 8.193 1.00 0.13 C ATOM 514 CG HIS A 196 -3.049 1.470 9.619 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.498 0.571 10.555 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.877 2.672 10.209 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.589 1.246 11.687 1.00 0.30 C ATOM 518 NE2 HIS A 196 -3.222 2.524 11.527 1.00 0.28 N ATOM 0 H HIS A 196 -0.368 1.815 7.937 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.637 -0.544 8.829 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.690 1.968 7.594 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.743 0.586 7.826 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.533 3.578 9.733 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -3.918 0.821 12.624 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -3.203 3.247 12.246 1.00 0.28 H new ATOM 526 N TRP A 197 -1.550 0.104 5.572 1.00 0.10 N ATOM 527 CA TRP A 197 -1.535 -0.485 4.236 1.00 0.09 C ATOM 528 C TRP A 197 -0.547 -1.626 4.171 1.00 0.10 C ATOM 529 O TRP A 197 -0.941 -2.758 3.932 1.00 0.13 O ATOM 530 CB TRP A 197 -1.182 0.564 3.180 1.00 0.09 C ATOM 531 CG TRP A 197 -1.184 0.044 1.765 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.275 -0.286 1.020 1.00 0.09 C ATOM 533 CD2 TRP A 197 -0.043 -0.174 0.918 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.888 -0.707 -0.230 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.525 -0.638 -0.321 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.334 -0.022 1.087 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.323 -0.947 -1.384 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.177 -0.321 0.028 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.668 -0.777 -1.196 1.00 0.14 C ATOM 0 H TRP A 197 -1.322 1.098 5.594 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.535 -0.867 4.028 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -1.891 1.389 3.253 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.196 0.971 3.404 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.298 -0.226 1.362 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.516 -1.020 -0.970 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.736 0.323 2.028 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 -0.068 -1.308 -2.324 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.244 -0.201 0.148 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.349 -0.998 -2.005 1.00 0.14 H new ATOM 550 N VAL A 198 0.732 -1.347 4.381 1.00 0.10 N ATOM 551 CA VAL A 198 1.748 -2.381 4.293 1.00 0.12 C ATOM 552 C VAL A 198 1.411 -3.598 5.157 1.00 0.13 C ATOM 553 O VAL A 198 1.467 -4.705 4.652 1.00 0.15 O ATOM 554 CB VAL A 198 3.157 -1.852 4.627 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.157 -2.989 4.688 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.595 -0.818 3.604 1.00 0.13 C ATOM 0 H VAL A 198 1.087 -0.419 4.612 1.00 0.10 H new ATOM 0 HA VAL A 198 1.755 -2.702 3.251 1.00 0.12 H new ATOM 0 HB VAL A 198 3.117 -1.376 5.607 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.144 -2.593 4.925 1.00 0.23 H new ATOM 0 HG12 VAL A 198 3.856 -3.698 5.459 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.191 -3.496 3.723 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.592 -0.456 3.856 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.614 -1.272 2.613 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.894 0.017 3.608 1.00 0.13 H new ATOM 566 N VAL A 199 1.007 -3.423 6.406 1.00 0.13 N ATOM 567 CA VAL A 199 0.738 -4.580 7.265 1.00 0.14 C ATOM 568 C VAL A 199 -0.550 -5.319 6.848 1.00 0.13 C ATOM 569 O VAL A 199 -0.558 -6.547 6.716 1.00 0.15 O ATOM 570 CB VAL A 199 0.683 -4.174 8.756 1.00 0.18 C ATOM 571 CG1 VAL A 199 0.244 -5.340 9.629 1.00 0.21 C ATOM 572 CG2 VAL A 199 2.046 -3.661 9.210 1.00 0.20 C ATOM 0 H VAL A 199 0.859 -2.515 6.846 1.00 0.13 H new ATOM 0 HA VAL A 199 1.569 -5.273 7.134 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.053 -3.378 8.863 1.00 0.18 H new ATOM 0 HG11 VAL A 199 0.215 -5.023 10.672 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -0.748 -5.671 9.323 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.950 -6.163 9.519 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.996 -3.378 10.261 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.792 -4.445 9.080 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.325 -2.793 8.613 1.00 0.20 H new ATOM 582 N TRP A 200 -1.615 -4.566 6.623 1.00 0.13 N ATOM 583 CA TRP A 200 -2.890 -5.146 6.179 1.00 0.13 C ATOM 584 C TRP A 200 -2.745 -5.786 4.802 1.00 0.13 C ATOM 585 O TRP A 200 -3.144 -6.929 4.597 1.00 0.13 O ATOM 586 CB TRP A 200 -3.991 -4.075 6.136 1.00 0.14 C ATOM 587 CG TRP A 200 -5.381 -4.625 5.973 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.361 -4.637 6.919 1.00 0.15 C ATOM 589 CD2 TRP A 200 -5.947 -5.245 4.805 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.495 -5.221 6.415 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.266 -5.604 5.124 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.469 -5.531 3.523 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.106 -6.234 4.214 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.297 -6.157 2.621 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.606 -6.504 2.968 1.00 0.15 C ATOM 0 H TRP A 200 -1.630 -3.553 6.738 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.172 -5.915 6.898 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -3.949 -3.490 7.055 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.784 -3.391 5.313 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.260 -4.244 7.920 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.370 -5.349 6.923 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.461 -5.263 3.244 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.118 -6.501 4.480 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -5.931 -6.384 1.631 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.235 -6.994 2.240 1.00 0.15 H new ATOM 606 N VAL A 201 -2.192 -5.061 3.866 1.00 0.14 N ATOM 607 CA VAL A 201 -2.110 -5.546 2.500 1.00 0.16 C ATOM 608 C VAL A 201 -1.038 -6.626 2.346 1.00 0.16 C ATOM 609 O VAL A 201 -1.242 -7.572 1.591 1.00 0.18 O ATOM 610 CB VAL A 201 -1.929 -4.391 1.497 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.905 -4.901 0.068 1.00 0.26 C ATOM 612 CG2 VAL A 201 -3.046 -3.378 1.676 1.00 0.22 C ATOM 0 H VAL A 201 -1.791 -4.135 4.016 1.00 0.14 H new ATOM 0 HA VAL A 201 -3.063 -6.019 2.263 1.00 0.16 H new ATOM 0 HB VAL A 201 -0.970 -3.911 1.695 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.776 -4.062 -0.616 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -1.078 -5.600 -0.055 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.844 -5.408 -0.153 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -2.915 -2.562 0.965 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -4.007 -3.861 1.501 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -3.019 -2.982 2.691 1.00 0.22 H new ATOM 622 N MET A 202 0.055 -6.561 3.096 1.00 0.17 N ATOM 623 CA MET A 202 1.007 -7.680 3.065 1.00 0.20 C ATOM 624 C MET A 202 0.353 -8.949 3.647 1.00 0.19 C ATOM 625 O MET A 202 0.736 -10.068 3.321 1.00 0.22 O ATOM 626 CB MET A 202 2.327 -7.359 3.786 1.00 0.23 C ATOM 627 CG MET A 202 2.260 -7.349 5.304 1.00 0.23 C ATOM 628 SD MET A 202 3.221 -8.675 6.049 1.00 0.40 S ATOM 629 CE MET A 202 4.849 -8.265 5.421 1.00 0.56 C ATOM 0 H MET A 202 0.304 -5.785 3.710 1.00 0.17 H new ATOM 0 HA MET A 202 1.264 -7.857 2.021 1.00 0.20 H new ATOM 0 HB2 MET A 202 3.075 -8.089 3.478 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.676 -6.383 3.449 1.00 0.23 H new ATOM 0 HG2 MET A 202 2.624 -6.390 5.674 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.220 -7.438 5.618 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.109 -8.948 4.612 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.847 -7.242 5.046 1.00 0.56 H new ATOM 0 HE3 MET A 202 5.582 -8.356 6.223 1.00 0.56 H new ATOM 639 N LYS A 203 -0.661 -8.744 4.486 1.00 0.16 N ATOM 640 CA LYS A 203 -1.487 -9.829 5.030 1.00 0.18 C ATOM 641 C LYS A 203 -2.271 -10.564 3.944 1.00 0.18 C ATOM 642 O LYS A 203 -2.226 -11.789 3.875 1.00 0.20 O ATOM 643 CB LYS A 203 -2.483 -9.258 6.046 1.00 0.19 C ATOM 644 CG LYS A 203 -3.571 -10.238 6.464 1.00 0.36 C ATOM 645 CD LYS A 203 -4.591 -9.582 7.380 1.00 0.82 C ATOM 646 CE LYS A 203 -5.517 -8.640 6.622 1.00 1.61 C ATOM 647 NZ LYS A 203 -6.416 -9.369 5.683 1.00 2.35 N ATOM 0 H LYS A 203 -0.937 -7.817 4.811 1.00 0.16 H new ATOM 0 HA LYS A 203 -0.810 -10.540 5.502 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -1.937 -8.937 6.933 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -2.951 -8.370 5.621 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.073 -10.625 5.577 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.119 -11.090 6.972 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -5.183 -10.353 7.874 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -4.072 -9.028 8.162 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -6.119 -8.075 7.333 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -4.921 -7.918 6.064 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -6.188 -9.100 4.705 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -6.283 -10.394 5.800 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -7.405 -9.123 5.888 1.00 2.35 H new ATOM 661 N GLU A 204 -2.985 -9.821 3.102 1.00 0.18 N ATOM 662 CA GLU A 204 -3.976 -10.409 2.197 1.00 0.18 C ATOM 663 C GLU A 204 -3.367 -11.475 1.274 1.00 0.23 C ATOM 664 O GLU A 204 -4.025 -12.459 0.939 1.00 0.47 O ATOM 665 CB GLU A 204 -4.652 -9.311 1.379 1.00 0.23 C ATOM 666 CG GLU A 204 -5.978 -9.742 0.781 1.00 0.42 C ATOM 667 CD GLU A 204 -6.888 -10.382 1.810 1.00 0.93 C ATOM 668 OE1 GLU A 204 -7.068 -9.790 2.894 1.00 1.45 O ATOM 669 OE2 GLU A 204 -7.449 -11.466 1.532 1.00 1.72 O ATOM 0 H GLU A 204 -2.897 -8.808 3.026 1.00 0.18 H new ATOM 0 HA GLU A 204 -4.722 -10.914 2.811 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -4.813 -8.440 2.015 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -3.983 -9.000 0.577 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.477 -8.876 0.345 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -5.797 -10.447 -0.030 1.00 0.42 H new ATOM 676 N PHE A 205 -2.123 -11.283 0.877 1.00 0.18 N ATOM 677 CA PHE A 205 -1.434 -12.232 -0.001 1.00 0.19 C ATOM 678 C PHE A 205 -0.328 -12.958 0.746 1.00 0.22 C ATOM 679 O PHE A 205 0.584 -13.518 0.130 1.00 0.25 O ATOM 680 CB PHE A 205 -0.829 -11.524 -1.209 1.00 0.19 C ATOM 681 CG PHE A 205 -1.359 -10.146 -1.442 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.573 -9.979 -2.074 1.00 0.24 C ATOM 683 CD2 PHE A 205 -0.660 -9.027 -1.020 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.091 -8.725 -2.284 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.170 -7.761 -1.232 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.292 -7.575 -1.885 1.00 0.29 C ATOM 0 H PHE A 205 -1.560 -10.476 1.146 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.178 -12.953 -0.341 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.252 -11.468 -1.079 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -1.012 -12.127 -2.098 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.124 -10.846 -2.408 1.00 0.24 H new ATOM 0 HD2 PHE A 205 0.291 -9.145 -0.522 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.065 -8.595 -2.733 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -0.633 -6.905 -0.851 1.00 0.25 H new ATOM 0 HZ PHE A 205 -2.621 -6.575 -2.125 1.00 0.29 H new ATOM 696 N SER A 206 -0.423 -12.943 2.071 1.00 0.21 N ATOM 697 CA SER A 206 0.476 -13.706 2.932 1.00 0.23 C ATOM 698 C SER A 206 1.934 -13.407 2.604 1.00 0.24 C ATOM 699 O SER A 206 2.780 -14.302 2.575 1.00 0.28 O ATOM 700 CB SER A 206 0.187 -15.202 2.800 1.00 0.26 C ATOM 701 OG SER A 206 -1.201 -15.463 2.948 1.00 1.14 O ATOM 0 H SER A 206 -1.124 -12.403 2.579 1.00 0.21 H new ATOM 0 HA SER A 206 0.300 -13.405 3.965 1.00 0.23 H new ATOM 0 HB2 SER A 206 0.527 -15.558 1.827 1.00 0.26 H new ATOM 0 HB3 SER A 206 0.748 -15.753 3.555 1.00 0.26 H new ATOM 0 HG SER A 206 -1.364 -16.425 2.858 1.00 1.14 H new ATOM 707 N MET A 207 2.216 -12.125 2.379 1.00 0.25 N ATOM 708 CA MET A 207 3.553 -11.659 2.065 1.00 0.27 C ATOM 709 C MET A 207 4.465 -11.868 3.251 1.00 0.52 C ATOM 710 O MET A 207 4.301 -11.251 4.301 1.00 1.36 O ATOM 711 CB MET A 207 3.539 -10.181 1.672 1.00 0.32 C ATOM 712 CG MET A 207 2.656 -9.876 0.475 1.00 0.52 C ATOM 713 SD MET A 207 2.632 -8.123 0.057 1.00 0.95 S ATOM 714 CE MET A 207 4.337 -7.868 -0.417 1.00 0.94 C ATOM 0 H MET A 207 1.517 -11.383 2.411 1.00 0.25 H new ATOM 0 HA MET A 207 3.925 -12.235 1.218 1.00 0.27 H new ATOM 0 HB2 MET A 207 3.199 -9.591 2.523 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.558 -9.863 1.451 1.00 0.32 H new ATOM 0 HG2 MET A 207 3.008 -10.446 -0.385 1.00 0.52 H new ATOM 0 HG3 MET A 207 1.640 -10.209 0.684 1.00 0.52 H new ATOM 0 HE1 MET A 207 4.445 -6.883 -0.870 1.00 0.94 H new ATOM 0 HE2 MET A 207 4.974 -7.934 0.465 1.00 0.94 H new ATOM 0 HE3 MET A 207 4.633 -8.632 -1.136 1.00 0.94 H new ATOM 769 N ASP A 211 9.891 -5.400 4.044 1.00 0.28 N ATOM 770 CA ASP A 211 10.478 -4.433 4.953 1.00 0.28 C ATOM 771 C ASP A 211 9.413 -3.572 5.620 1.00 0.27 C ATOM 772 O ASP A 211 8.959 -2.579 5.055 1.00 0.33 O ATOM 773 CB ASP A 211 11.464 -3.531 4.232 1.00 0.34 C ATOM 774 CG ASP A 211 12.587 -3.147 5.157 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.324 -2.698 6.289 1.00 0.88 O ATOM 776 OD2 ASP A 211 13.752 -3.288 4.748 1.00 0.91 O ATOM 0 HA ASP A 211 11.003 -5.003 5.720 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.863 -4.042 3.356 1.00 0.34 H new ATOM 0 HB3 ASP A 211 10.955 -2.636 3.874 1.00 0.34 H new ATOM 781 N LEU A 212 9.024 -3.956 6.828 1.00 0.30 N ATOM 782 CA LEU A 212 8.049 -3.201 7.595 1.00 0.36 C ATOM 783 C LEU A 212 8.698 -2.001 8.294 1.00 0.42 C ATOM 784 O LEU A 212 8.006 -1.077 8.723 1.00 0.56 O ATOM 785 CB LEU A 212 7.393 -4.103 8.644 1.00 0.43 C ATOM 786 CG LEU A 212 6.660 -5.333 8.097 1.00 0.48 C ATOM 787 CD1 LEU A 212 6.139 -6.189 9.241 1.00 0.56 C ATOM 788 CD2 LEU A 212 5.516 -4.915 7.187 1.00 0.52 C ATOM 0 H LEU A 212 9.373 -4.791 7.298 1.00 0.30 H new ATOM 0 HA LEU A 212 7.294 -2.832 6.901 1.00 0.36 H new ATOM 0 HB2 LEU A 212 8.162 -4.440 9.339 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.684 -3.506 9.218 1.00 0.43 H new ATOM 0 HG LEU A 212 7.366 -5.922 7.512 1.00 0.48 H new ATOM 0 HD11 LEU A 212 5.621 -7.059 8.838 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.974 -6.518 9.859 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.448 -5.604 9.848 1.00 0.56 H new ATOM 0 HD21 LEU A 212 5.009 -5.803 6.809 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.809 -4.304 7.748 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.909 -4.338 6.350 1.00 0.52 H new ATOM 800 N THR A 213 10.022 -2.016 8.414 1.00 0.44 N ATOM 801 CA THR A 213 10.725 -0.986 9.172 1.00 0.51 C ATOM 802 C THR A 213 11.284 0.113 8.264 1.00 0.46 C ATOM 803 O THR A 213 11.242 1.292 8.613 1.00 0.52 O ATOM 804 CB THR A 213 11.849 -1.588 10.055 1.00 0.71 C ATOM 805 OG1 THR A 213 12.649 -0.546 10.627 1.00 1.56 O ATOM 806 CG2 THR A 213 12.740 -2.539 9.271 1.00 1.34 C ATOM 0 H THR A 213 10.627 -2.725 7.999 1.00 0.44 H new ATOM 0 HA THR A 213 9.987 -0.529 9.831 1.00 0.51 H new ATOM 0 HB THR A 213 11.363 -2.155 10.849 1.00 0.71 H new ATOM 0 HG1 THR A 213 13.353 -0.941 11.183 1.00 1.56 H new ATOM 0 HG21 THR A 213 13.513 -2.938 9.928 1.00 1.34 H new ATOM 0 HG22 THR A 213 12.140 -3.359 8.878 1.00 1.34 H new ATOM 0 HG23 THR A 213 13.207 -2.003 8.445 1.00 1.34 H new ATOM 814 N THR A 214 11.790 -0.264 7.099 1.00 0.45 N ATOM 815 CA THR A 214 12.333 0.704 6.154 1.00 0.47 C ATOM 816 C THR A 214 11.226 1.580 5.567 1.00 0.42 C ATOM 817 O THR A 214 11.467 2.713 5.146 1.00 0.60 O ATOM 818 CB THR A 214 13.100 -0.013 5.026 1.00 0.57 C ATOM 819 OG1 THR A 214 14.206 -0.738 5.578 1.00 1.18 O ATOM 820 CG2 THR A 214 13.616 0.956 3.986 1.00 0.40 C ATOM 0 H THR A 214 11.836 -1.233 6.784 1.00 0.45 H new ATOM 0 HA THR A 214 13.026 1.348 6.695 1.00 0.47 H new ATOM 0 HB THR A 214 12.402 -0.694 4.539 1.00 0.57 H new ATOM 0 HG1 THR A 214 14.700 -1.181 4.856 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.150 0.407 3.210 1.00 0.40 H new ATOM 0 HG22 THR A 214 12.778 1.491 3.540 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.293 1.669 4.457 1.00 0.40 H new ATOM 828 N LEU A 215 10.003 1.070 5.576 1.00 0.30 N ATOM 829 CA LEU A 215 8.863 1.821 5.070 1.00 0.27 C ATOM 830 C LEU A 215 8.254 2.687 6.169 1.00 0.25 C ATOM 831 O LEU A 215 7.072 3.021 6.137 1.00 0.29 O ATOM 832 CB LEU A 215 7.815 0.867 4.489 1.00 0.25 C ATOM 833 CG LEU A 215 8.265 0.104 3.247 1.00 0.23 C ATOM 834 CD1 LEU A 215 7.174 -0.851 2.790 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.640 1.072 2.135 1.00 0.24 C ATOM 0 H LEU A 215 9.775 0.140 5.928 1.00 0.30 H new ATOM 0 HA LEU A 215 9.210 2.481 4.275 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.533 0.148 5.258 1.00 0.25 H new ATOM 0 HB3 LEU A 215 6.920 1.439 4.243 1.00 0.25 H new ATOM 0 HG LEU A 215 9.149 -0.482 3.498 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.509 -1.389 1.903 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.957 -1.564 3.586 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.272 -0.287 2.553 1.00 0.25 H new ATOM 0 HD21 LEU A 215 8.959 0.511 1.256 1.00 0.24 H new ATOM 0 HD22 LEU A 215 7.776 1.686 1.880 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.454 1.714 2.471 1.00 0.24 H new ATOM 847 N ASN A 216 9.082 3.065 7.136 1.00 0.24 N ATOM 848 CA ASN A 216 8.638 3.898 8.247 1.00 0.26 C ATOM 849 C ASN A 216 8.792 5.376 7.891 1.00 0.22 C ATOM 850 O ASN A 216 9.549 6.114 8.521 1.00 0.29 O ATOM 851 CB ASN A 216 9.434 3.561 9.511 1.00 0.34 C ATOM 852 CG ASN A 216 8.788 4.085 10.778 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.064 5.198 11.225 1.00 1.34 O ATOM 854 ND2 ASN A 216 7.930 3.273 11.376 1.00 0.64 N ATOM 0 H ASN A 216 10.068 2.807 7.173 1.00 0.24 H new ATOM 0 HA ASN A 216 7.584 3.698 8.440 1.00 0.26 H new ATOM 0 HB2 ASN A 216 9.543 2.479 9.587 1.00 0.34 H new ATOM 0 HB3 ASN A 216 10.438 3.977 9.423 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.471 3.563 12.240 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.728 2.358 10.973 1.00 0.64 H new ATOM 861 N ILE A 217 8.077 5.785 6.857 1.00 0.19 N ATOM 862 CA ILE A 217 8.070 7.169 6.403 1.00 0.19 C ATOM 863 C ILE A 217 6.641 7.591 6.091 1.00 0.18 C ATOM 864 O ILE A 217 5.714 6.812 6.305 1.00 0.19 O ATOM 865 CB ILE A 217 8.987 7.383 5.168 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.922 6.189 4.203 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.424 7.622 5.607 1.00 0.32 C ATOM 868 CD1 ILE A 217 7.624 6.071 3.438 1.00 0.89 C ATOM 0 H ILE A 217 7.482 5.166 6.306 1.00 0.19 H new ATOM 0 HA ILE A 217 8.469 7.791 7.204 1.00 0.19 H new ATOM 0 HB ILE A 217 8.625 8.264 4.638 1.00 0.20 H new ATOM 0 HG12 ILE A 217 9.743 6.269 3.490 1.00 0.27 H new ATOM 0 HG13 ILE A 217 9.080 5.271 4.770 1.00 0.27 H new ATOM 0 HG21 ILE A 217 11.053 7.770 4.729 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.469 8.509 6.239 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.781 6.758 6.168 1.00 0.32 H new ATOM 0 HD11 ILE A 217 7.666 5.202 2.782 1.00 0.89 H new ATOM 0 HD12 ILE A 217 6.797 5.957 4.139 1.00 0.89 H new ATOM 0 HD13 ILE A 217 7.471 6.970 2.840 1.00 0.89 H new ATOM 880 N SER A 218 6.435 8.803 5.603 1.00 0.19 N ATOM 881 CA SER A 218 5.081 9.244 5.311 1.00 0.20 C ATOM 882 C SER A 218 4.688 8.902 3.876 1.00 0.20 C ATOM 883 O SER A 218 5.539 8.523 3.071 1.00 0.21 O ATOM 884 CB SER A 218 4.907 10.739 5.586 1.00 0.23 C ATOM 885 OG SER A 218 5.170 11.043 6.945 1.00 1.10 O ATOM 0 H SER A 218 7.168 9.484 5.405 1.00 0.19 H new ATOM 0 HA SER A 218 4.410 8.706 5.981 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.580 11.310 4.946 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.891 11.043 5.332 1.00 0.23 H new ATOM 0 HG SER A 218 5.053 12.005 7.094 1.00 1.10 H new ATOM 891 N GLY A 219 3.410 9.046 3.555 1.00 0.21 N ATOM 892 CA GLY A 219 2.910 8.615 2.262 1.00 0.23 C ATOM 893 C GLY A 219 3.546 9.364 1.113 1.00 0.22 C ATOM 894 O GLY A 219 3.848 8.781 0.071 1.00 0.22 O ATOM 0 H GLY A 219 2.706 9.456 4.169 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.096 7.548 2.142 1.00 0.23 H new ATOM 0 HA3 GLY A 219 1.830 8.756 2.229 1.00 0.23 H new ATOM 898 N ARG A 220 3.778 10.652 1.315 1.00 0.24 N ATOM 899 CA ARG A 220 4.380 11.499 0.297 1.00 0.25 C ATOM 900 C ARG A 220 5.775 10.996 -0.041 1.00 0.25 C ATOM 901 O ARG A 220 6.241 11.119 -1.171 1.00 0.32 O ATOM 902 CB ARG A 220 4.419 12.944 0.804 1.00 0.26 C ATOM 903 CG ARG A 220 4.917 13.966 -0.207 1.00 1.23 C ATOM 904 CD ARG A 220 6.428 14.126 -0.144 1.00 2.30 C ATOM 905 NE ARG A 220 6.872 14.664 1.145 1.00 3.08 N ATOM 906 CZ ARG A 220 8.123 15.044 1.398 1.00 4.20 C ATOM 907 NH1 ARG A 220 9.048 14.947 0.453 1.00 4.78 N ATOM 908 NH2 ARG A 220 8.451 15.521 2.593 1.00 5.01 N ATOM 0 H ARG A 220 3.556 11.137 2.184 1.00 0.24 H new ATOM 0 HA ARG A 220 3.784 11.465 -0.615 1.00 0.25 H new ATOM 0 HB2 ARG A 220 3.416 13.229 1.122 1.00 0.26 H new ATOM 0 HB3 ARG A 220 5.058 12.987 1.686 1.00 0.26 H new ATOM 0 HG2 ARG A 220 4.625 13.658 -1.211 1.00 1.23 H new ATOM 0 HG3 ARG A 220 4.441 14.928 -0.018 1.00 1.23 H new ATOM 0 HD2 ARG A 220 6.902 13.160 -0.316 1.00 2.30 H new ATOM 0 HD3 ARG A 220 6.756 14.788 -0.945 1.00 2.30 H new ATOM 0 HE ARG A 220 6.183 14.753 1.892 1.00 3.08 H new ATOM 0 HH11 ARG A 220 8.801 14.582 -0.467 1.00 4.78 H new ATOM 0 HH12 ARG A 220 10.006 15.238 0.646 1.00 4.78 H new ATOM 0 HH21 ARG A 220 7.743 15.598 3.323 1.00 5.01 H new ATOM 0 HH22 ARG A 220 9.411 15.810 2.781 1.00 5.01 H new ATOM 922 N GLU A 221 6.418 10.405 0.947 1.00 0.24 N ATOM 923 CA GLU A 221 7.745 9.846 0.783 1.00 0.27 C ATOM 924 C GLU A 221 7.654 8.455 0.154 1.00 0.23 C ATOM 925 O GLU A 221 8.434 8.117 -0.734 1.00 0.23 O ATOM 926 CB GLU A 221 8.424 9.792 2.146 1.00 0.34 C ATOM 927 CG GLU A 221 8.536 11.153 2.812 1.00 0.84 C ATOM 928 CD GLU A 221 9.089 11.075 4.219 1.00 1.60 C ATOM 929 OE1 GLU A 221 8.325 10.738 5.149 1.00 2.45 O ATOM 930 OE2 GLU A 221 10.287 11.364 4.404 1.00 2.07 O ATOM 0 H GLU A 221 6.035 10.299 1.886 1.00 0.24 H new ATOM 0 HA GLU A 221 8.338 10.472 0.116 1.00 0.27 H new ATOM 0 HB2 GLU A 221 7.864 9.121 2.797 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.421 9.367 2.032 1.00 0.34 H new ATOM 0 HG2 GLU A 221 9.178 11.795 2.209 1.00 0.84 H new ATOM 0 HG3 GLU A 221 7.552 11.621 2.839 1.00 0.84 H new ATOM 937 N LEU A 222 6.683 7.672 0.615 1.00 0.21 N ATOM 938 CA LEU A 222 6.397 6.353 0.046 1.00 0.20 C ATOM 939 C LEU A 222 6.099 6.474 -1.452 1.00 0.18 C ATOM 940 O LEU A 222 6.674 5.762 -2.269 1.00 0.20 O ATOM 941 CB LEU A 222 5.199 5.725 0.791 1.00 0.21 C ATOM 942 CG LEU A 222 4.918 4.231 0.530 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.218 4.020 -0.803 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.207 3.422 0.586 1.00 0.26 C ATOM 0 H LEU A 222 6.073 7.930 1.390 1.00 0.21 H new ATOM 0 HA LEU A 222 7.268 5.709 0.166 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.358 5.858 1.861 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.304 6.289 0.529 1.00 0.21 H new ATOM 0 HG LEU A 222 4.251 3.880 1.318 1.00 0.21 H new ATOM 0 HD11 LEU A 222 4.036 2.956 -0.954 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.268 4.555 -0.804 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.848 4.398 -1.608 1.00 0.19 H new ATOM 0 HD21 LEU A 222 5.985 2.371 0.399 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.899 3.787 -0.173 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.660 3.528 1.572 1.00 0.26 H new ATOM 956 N CYS A 223 5.209 7.386 -1.803 1.00 0.18 N ATOM 957 CA CYS A 223 4.766 7.528 -3.183 1.00 0.18 C ATOM 958 C CYS A 223 5.822 8.190 -4.068 1.00 0.18 C ATOM 959 O CYS A 223 5.781 8.060 -5.293 1.00 0.21 O ATOM 960 CB CYS A 223 3.463 8.331 -3.224 1.00 0.21 C ATOM 961 SG CYS A 223 2.730 8.489 -4.870 1.00 0.71 S ATOM 0 H CYS A 223 4.777 8.041 -1.152 1.00 0.18 H new ATOM 0 HA CYS A 223 4.598 6.527 -3.581 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.738 7.858 -2.561 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.653 9.328 -2.828 1.00 0.21 H new ATOM 0 HG CYS A 223 3.661 8.384 -5.771 1.00 0.71 H new ATOM 967 N SER A 224 6.772 8.895 -3.463 1.00 0.17 N ATOM 968 CA SER A 224 7.762 9.631 -4.234 1.00 0.21 C ATOM 969 C SER A 224 8.965 8.762 -4.595 1.00 0.17 C ATOM 970 O SER A 224 9.877 9.223 -5.281 1.00 0.19 O ATOM 971 CB SER A 224 8.217 10.878 -3.471 1.00 0.30 C ATOM 972 OG SER A 224 8.920 11.780 -4.313 1.00 1.10 O ATOM 0 H SER A 224 6.876 8.971 -2.451 1.00 0.17 H new ATOM 0 HA SER A 224 7.286 9.937 -5.166 1.00 0.21 H new ATOM 0 HB2 SER A 224 7.349 11.380 -3.043 1.00 0.30 H new ATOM 0 HB3 SER A 224 8.856 10.583 -2.639 1.00 0.30 H new ATOM 0 HG SER A 224 9.487 11.275 -4.932 1.00 1.10 H new ATOM 978 N LEU A 225 8.992 7.517 -4.144 1.00 0.17 N ATOM 979 CA LEU A 225 10.046 6.614 -4.575 1.00 0.18 C ATOM 980 C LEU A 225 9.533 5.712 -5.689 1.00 0.19 C ATOM 981 O LEU A 225 8.383 5.270 -5.665 1.00 0.19 O ATOM 982 CB LEU A 225 10.609 5.800 -3.395 1.00 0.19 C ATOM 983 CG LEU A 225 9.591 5.033 -2.541 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.303 3.660 -3.127 1.00 0.39 C ATOM 985 CD2 LEU A 225 10.088 4.903 -1.111 1.00 0.27 C ATOM 0 H LEU A 225 8.314 7.117 -3.496 1.00 0.17 H new ATOM 0 HA LEU A 225 10.872 7.207 -4.968 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.331 5.085 -3.789 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.157 6.480 -2.743 1.00 0.19 H new ATOM 0 HG LEU A 225 8.660 5.601 -2.540 1.00 0.16 H new ATOM 0 HD11 LEU A 225 8.578 3.141 -2.499 1.00 0.39 H new ATOM 0 HD12 LEU A 225 8.898 3.771 -4.133 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.226 3.082 -3.169 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.354 4.356 -0.519 1.00 0.27 H new ATOM 0 HD22 LEU A 225 11.035 4.364 -1.103 1.00 0.27 H new ATOM 0 HD23 LEU A 225 10.232 5.896 -0.684 1.00 0.27 H new ATOM 997 N ASN A 226 10.367 5.481 -6.684 1.00 0.22 N ATOM 998 CA ASN A 226 10.029 4.585 -7.779 1.00 0.25 C ATOM 999 C ASN A 226 10.130 3.139 -7.324 1.00 0.21 C ATOM 1000 O ASN A 226 10.738 2.858 -6.285 1.00 0.23 O ATOM 1001 CB ASN A 226 10.938 4.828 -9.000 1.00 0.40 C ATOM 1002 CG ASN A 226 12.426 4.607 -8.740 1.00 1.04 C ATOM 1003 OD1 ASN A 226 12.825 3.804 -7.898 1.00 2.01 O ATOM 1004 ND2 ASN A 226 13.264 5.317 -9.478 1.00 1.31 N ATOM 0 H ASN A 226 11.292 5.904 -6.759 1.00 0.22 H new ATOM 0 HA ASN A 226 9.002 4.791 -8.080 1.00 0.25 H new ATOM 0 HB2 ASN A 226 10.622 4.168 -9.808 1.00 0.40 H new ATOM 0 HB3 ASN A 226 10.791 5.851 -9.347 1.00 0.40 H new ATOM 0 HD21 ASN A 226 14.271 5.206 -9.356 1.00 1.31 H new ATOM 0 HD22 ASN A 226 12.903 5.975 -10.169 1.00 1.31 H new ATOM 1011 N GLN A 227 9.490 2.229 -8.073 1.00 0.20 N ATOM 1012 CA GLN A 227 9.398 0.818 -7.706 1.00 0.19 C ATOM 1013 C GLN A 227 10.724 0.263 -7.204 1.00 0.18 C ATOM 1014 O GLN A 227 10.779 -0.507 -6.252 1.00 0.19 O ATOM 1015 CB GLN A 227 8.929 -0.012 -8.898 1.00 0.22 C ATOM 1016 CG GLN A 227 8.331 -1.344 -8.483 1.00 0.29 C ATOM 1017 CD GLN A 227 7.018 -1.175 -7.743 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.792 -0.165 -7.085 1.00 1.30 O ATOM 1019 NE2 GLN A 227 6.145 -2.164 -7.837 1.00 1.13 N ATOM 0 H GLN A 227 9.023 2.456 -8.951 1.00 0.20 H new ATOM 0 HA GLN A 227 8.674 0.751 -6.894 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.188 0.555 -9.462 1.00 0.22 H new ATOM 0 HB3 GLN A 227 9.771 -0.189 -9.567 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.171 -1.960 -9.368 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.039 -1.876 -7.847 1.00 0.29 H new ATOM 0 HE21 GLN A 227 6.367 -2.989 -8.394 1.00 1.13 H new ATOM 0 HE22 GLN A 227 5.249 -2.101 -7.353 1.00 1.13 H new ATOM 1028 N GLU A 228 11.793 0.737 -7.830 1.00 0.20 N ATOM 1029 CA GLU A 228 13.140 0.256 -7.588 1.00 0.23 C ATOM 1030 C GLU A 228 13.622 0.697 -6.222 1.00 0.18 C ATOM 1031 O GLU A 228 14.181 -0.102 -5.481 1.00 0.19 O ATOM 1032 CB GLU A 228 14.069 0.814 -8.657 1.00 0.34 C ATOM 1033 CG GLU A 228 15.491 0.290 -8.571 1.00 1.14 C ATOM 1034 CD GLU A 228 16.360 0.811 -9.691 1.00 1.66 C ATOM 1035 OE1 GLU A 228 16.342 0.213 -10.785 1.00 1.83 O ATOM 1036 OE2 GLU A 228 17.055 1.826 -9.491 1.00 2.29 O ATOM 0 H GLU A 228 11.744 1.477 -8.530 1.00 0.20 H new ATOM 0 HA GLU A 228 13.140 -0.833 -7.624 1.00 0.23 H new ATOM 0 HB2 GLU A 228 13.662 0.573 -9.639 1.00 0.34 H new ATOM 0 HB3 GLU A 228 14.087 1.901 -8.577 1.00 0.34 H new ATOM 0 HG2 GLU A 228 15.925 0.577 -7.613 1.00 1.14 H new ATOM 0 HG3 GLU A 228 15.477 -0.800 -8.601 1.00 1.14 H new ATOM 1043 N ASP A 229 13.420 1.962 -5.905 1.00 0.18 N ATOM 1044 CA ASP A 229 13.787 2.458 -4.582 1.00 0.20 C ATOM 1045 C ASP A 229 13.119 1.625 -3.487 1.00 0.19 C ATOM 1046 O ASP A 229 13.712 1.388 -2.439 1.00 0.22 O ATOM 1047 CB ASP A 229 13.443 3.939 -4.436 1.00 0.25 C ATOM 1048 CG ASP A 229 14.102 4.580 -3.232 1.00 0.37 C ATOM 1049 OD1 ASP A 229 13.574 4.438 -2.118 1.00 0.54 O ATOM 1050 OD2 ASP A 229 15.146 5.244 -3.403 1.00 0.71 O ATOM 0 H ASP A 229 13.012 2.658 -6.529 1.00 0.18 H new ATOM 0 HA ASP A 229 14.867 2.357 -4.470 1.00 0.20 H new ATOM 0 HB2 ASP A 229 13.750 4.469 -5.338 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.362 4.050 -4.354 1.00 0.25 H new ATOM 1055 N PHE A 230 11.913 1.131 -3.748 1.00 0.17 N ATOM 1056 CA PHE A 230 11.280 0.197 -2.819 1.00 0.17 C ATOM 1057 C PHE A 230 11.918 -1.170 -2.975 1.00 0.18 C ATOM 1058 O PHE A 230 12.209 -1.836 -1.993 1.00 0.21 O ATOM 1059 CB PHE A 230 9.774 0.079 -3.059 1.00 0.17 C ATOM 1060 CG PHE A 230 9.101 -1.033 -2.273 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.611 -0.801 -0.992 1.00 0.19 C ATOM 1062 CD2 PHE A 230 8.994 -2.319 -2.790 1.00 0.19 C ATOM 1063 CE1 PHE A 230 8.042 -1.816 -0.249 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.414 -3.338 -2.047 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.784 -3.065 -0.880 1.00 0.22 C ATOM 0 H PHE A 230 11.362 1.355 -4.577 1.00 0.17 H new ATOM 0 HA PHE A 230 11.428 0.580 -1.809 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.302 1.027 -2.802 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.599 -0.086 -4.122 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.677 0.191 -0.571 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.367 -2.528 -3.782 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.797 -1.665 0.792 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.466 -4.356 -2.403 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.103 -3.778 -0.439 1.00 0.22 H new ATOM 1075 N PHE A 231 12.180 -1.566 -4.216 1.00 0.17 N ATOM 1076 CA PHE A 231 12.633 -2.920 -4.510 1.00 0.20 C ATOM 1077 C PHE A 231 14.088 -3.119 -4.105 1.00 0.25 C ATOM 1078 O PHE A 231 14.627 -4.212 -4.244 1.00 0.41 O ATOM 1079 CB PHE A 231 12.451 -3.250 -5.993 1.00 0.21 C ATOM 1080 CG PHE A 231 11.137 -3.895 -6.332 1.00 0.20 C ATOM 1081 CD1 PHE A 231 9.968 -3.450 -5.735 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.063 -4.939 -7.240 1.00 0.44 C ATOM 1083 CE1 PHE A 231 8.754 -4.035 -6.037 1.00 0.36 C ATOM 1084 CE2 PHE A 231 9.852 -5.527 -7.546 1.00 0.45 C ATOM 1085 CZ PHE A 231 8.716 -5.100 -6.973 1.00 0.27 C ATOM 0 H PHE A 231 12.086 -0.967 -5.036 1.00 0.17 H new ATOM 0 HA PHE A 231 12.018 -3.602 -3.923 1.00 0.20 H new ATOM 0 HB2 PHE A 231 12.550 -2.331 -6.571 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.258 -3.912 -6.306 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.007 -2.637 -5.026 1.00 0.33 H new ATOM 0 HD2 PHE A 231 11.964 -5.297 -7.715 1.00 0.44 H new ATOM 0 HE1 PHE A 231 7.846 -3.686 -5.567 1.00 0.36 H new ATOM 0 HE2 PHE A 231 9.818 -6.341 -8.255 1.00 0.45 H new ATOM 0 HZ PHE A 231 7.775 -5.566 -7.224 1.00 0.27 H new ATOM 1095 N GLN A 232 14.743 -2.066 -3.638 1.00 0.20 N ATOM 1096 CA GLN A 232 16.068 -2.229 -3.065 1.00 0.23 C ATOM 1097 C GLN A 232 15.914 -2.417 -1.566 1.00 0.25 C ATOM 1098 O GLN A 232 16.510 -3.314 -0.973 1.00 0.28 O ATOM 1099 CB GLN A 232 16.982 -1.031 -3.350 1.00 0.24 C ATOM 1100 CG GLN A 232 17.041 -0.589 -4.808 1.00 0.28 C ATOM 1101 CD GLN A 232 17.282 -1.725 -5.781 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.421 -2.086 -6.070 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.208 -2.270 -6.322 1.00 0.36 N ATOM 0 H GLN A 232 14.387 -1.110 -3.644 1.00 0.20 H new ATOM 0 HA GLN A 232 16.539 -3.098 -3.524 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.648 -0.188 -2.745 1.00 0.24 H new ATOM 0 HB3 GLN A 232 17.991 -1.279 -3.021 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.105 -0.094 -5.066 1.00 0.28 H new ATOM 0 HG3 GLN A 232 17.834 0.150 -4.922 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.280 -1.942 -6.055 1.00 0.36 H new ATOM 0 HE22 GLN A 232 16.306 -3.019 -7.007 1.00 0.36 H new ATOM 1112 N ARG A 233 15.098 -1.550 -0.966 1.00 0.24 N ATOM 1113 CA ARG A 233 14.738 -1.641 0.446 1.00 0.27 C ATOM 1114 C ARG A 233 14.062 -2.981 0.749 1.00 0.29 C ATOM 1115 O ARG A 233 14.203 -3.539 1.832 1.00 0.33 O ATOM 1116 CB ARG A 233 13.743 -0.525 0.782 1.00 0.27 C ATOM 1117 CG ARG A 233 14.233 0.873 0.439 1.00 0.27 C ATOM 1118 CD ARG A 233 13.197 1.925 0.806 1.00 0.40 C ATOM 1119 NE ARG A 233 13.519 3.238 0.254 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.670 4.350 0.971 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.607 4.318 2.299 1.00 0.93 N ATOM 1122 NH2 ARG A 233 13.893 5.496 0.346 1.00 1.39 N ATOM 0 H ARG A 233 14.667 -0.762 -1.449 1.00 0.24 H new ATOM 0 HA ARG A 233 15.648 -1.550 1.039 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.811 -0.712 0.248 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.514 -0.566 1.847 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.164 1.075 0.969 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.454 0.932 -0.627 1.00 0.27 H new ATOM 0 HD2 ARG A 233 12.219 1.611 0.442 1.00 0.40 H new ATOM 0 HD3 ARG A 233 13.125 1.998 1.891 1.00 0.40 H new ATOM 0 HE ARG A 233 13.637 3.309 -0.757 1.00 0.69 H new ATOM 0 HH11 ARG A 233 13.441 3.434 2.781 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.724 5.177 2.836 1.00 0.93 H new ATOM 0 HH21 ARG A 233 13.947 5.519 -0.672 1.00 1.39 H new ATOM 0 HH22 ARG A 233 14.011 6.355 0.883 1.00 1.39 H new ATOM 1136 N VAL A 234 13.344 -3.493 -0.253 1.00 0.27 N ATOM 1137 CA VAL A 234 12.420 -4.615 -0.115 1.00 0.27 C ATOM 1138 C VAL A 234 11.889 -4.984 -1.511 1.00 0.25 C ATOM 1139 O VAL A 234 10.923 -4.416 -1.999 1.00 0.24 O ATOM 1140 CB VAL A 234 11.249 -4.273 0.866 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.862 -2.804 0.774 1.00 0.28 C ATOM 1142 CG2 VAL A 234 10.013 -5.140 0.633 1.00 0.26 C ATOM 0 H VAL A 234 13.392 -3.128 -1.204 1.00 0.27 H new ATOM 0 HA VAL A 234 12.946 -5.468 0.314 1.00 0.27 H new ATOM 0 HB VAL A 234 11.625 -4.487 1.867 1.00 0.27 H new ATOM 0 HG11 VAL A 234 10.046 -2.599 1.467 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.721 -2.185 1.031 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.541 -2.575 -0.242 1.00 0.28 H new ATOM 0 HG21 VAL A 234 9.233 -4.859 1.341 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.651 -4.991 -0.384 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.272 -6.189 0.776 1.00 0.26 H new ATOM 1152 N PRO A 235 12.556 -5.918 -2.192 1.00 0.27 N ATOM 1153 CA PRO A 235 12.239 -6.281 -3.580 1.00 0.27 C ATOM 1154 C PRO A 235 10.974 -7.122 -3.724 1.00 0.30 C ATOM 1155 O PRO A 235 10.355 -7.145 -4.783 1.00 0.32 O ATOM 1156 CB PRO A 235 13.460 -7.097 -4.037 1.00 0.30 C ATOM 1157 CG PRO A 235 14.459 -7.003 -2.926 1.00 0.34 C ATOM 1158 CD PRO A 235 13.682 -6.692 -1.680 1.00 0.33 C ATOM 0 HA PRO A 235 12.046 -5.387 -4.173 1.00 0.27 H new ATOM 0 HB2 PRO A 235 13.186 -8.135 -4.229 1.00 0.30 H new ATOM 0 HB3 PRO A 235 13.870 -6.699 -4.965 1.00 0.30 H new ATOM 0 HG2 PRO A 235 15.008 -7.938 -2.818 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.194 -6.224 -3.130 1.00 0.34 H new ATOM 0 HD2 PRO A 235 13.353 -7.598 -1.171 1.00 0.33 H new ATOM 0 HD3 PRO A 235 14.274 -6.121 -0.965 1.00 0.33 H new ATOM 1166 N ARG A 236 10.574 -7.793 -2.661 1.00 0.31 N ATOM 1167 CA ARG A 236 9.451 -8.722 -2.733 1.00 0.31 C ATOM 1168 C ARG A 236 8.119 -8.065 -2.365 1.00 0.28 C ATOM 1169 O ARG A 236 7.269 -8.688 -1.731 1.00 0.32 O ATOM 1170 CB ARG A 236 9.700 -9.969 -1.860 1.00 0.39 C ATOM 1171 CG ARG A 236 10.008 -9.697 -0.387 1.00 0.67 C ATOM 1172 CD ARG A 236 11.396 -9.100 -0.195 1.00 1.04 C ATOM 1173 NE ARG A 236 11.873 -9.225 1.183 1.00 1.78 N ATOM 1174 CZ ARG A 236 13.161 -9.193 1.533 1.00 2.75 C ATOM 1175 NH1 ARG A 236 14.106 -9.146 0.603 1.00 3.36 N ATOM 1176 NH2 ARG A 236 13.504 -9.266 2.810 1.00 3.49 N ATOM 0 H ARG A 236 11.004 -7.716 -1.739 1.00 0.31 H new ATOM 0 HA ARG A 236 9.377 -9.035 -3.774 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.820 -10.610 -1.916 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.531 -10.530 -2.288 1.00 0.39 H new ATOM 0 HG2 ARG A 236 9.261 -9.016 0.020 1.00 0.67 H new ATOM 0 HG3 ARG A 236 9.932 -10.627 0.177 1.00 0.67 H new ATOM 0 HD2 ARG A 236 12.098 -9.596 -0.866 1.00 1.04 H new ATOM 0 HD3 ARG A 236 11.377 -8.047 -0.476 1.00 1.04 H new ATOM 0 HE ARG A 236 11.179 -9.344 1.921 1.00 1.78 H new ATOM 0 HH11 ARG A 236 13.850 -9.134 -0.384 1.00 3.36 H new ATOM 0 HH12 ARG A 236 15.089 -9.122 0.875 1.00 3.36 H new ATOM 0 HH21 ARG A 236 12.784 -9.347 3.528 1.00 3.49 H new ATOM 0 HH22 ARG A 236 14.488 -9.241 3.076 1.00 3.49 H new ATOM 1190 N GLY A 237 7.927 -6.805 -2.752 1.00 0.23 N ATOM 1191 CA GLY A 237 6.648 -6.157 -2.514 1.00 0.20 C ATOM 1192 C GLY A 237 5.902 -5.792 -3.788 1.00 0.15 C ATOM 1193 O GLY A 237 5.082 -4.879 -3.778 1.00 0.15 O ATOM 0 H GLY A 237 8.625 -6.228 -3.220 1.00 0.23 H new ATOM 0 HA2 GLY A 237 6.022 -6.817 -1.913 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.812 -5.253 -1.928 1.00 0.20 H new ATOM 1197 N GLU A 238 6.162 -6.518 -4.877 1.00 0.16 N ATOM 1198 CA GLU A 238 5.511 -6.269 -6.173 1.00 0.15 C ATOM 1199 C GLU A 238 3.983 -6.258 -6.070 1.00 0.13 C ATOM 1200 O GLU A 238 3.309 -5.393 -6.631 1.00 0.13 O ATOM 1201 CB GLU A 238 5.947 -7.334 -7.186 1.00 0.19 C ATOM 1202 CG GLU A 238 5.706 -8.757 -6.702 1.00 1.06 C ATOM 1203 CD GLU A 238 6.003 -9.799 -7.755 1.00 1.37 C ATOM 1204 OE1 GLU A 238 7.180 -10.197 -7.885 1.00 1.74 O ATOM 1205 OE2 GLU A 238 5.068 -10.199 -8.478 1.00 1.55 O ATOM 0 H GLU A 238 6.826 -7.292 -4.890 1.00 0.16 H new ATOM 0 HA GLU A 238 5.824 -5.279 -6.505 1.00 0.15 H new ATOM 0 HB2 GLU A 238 5.408 -7.179 -8.121 1.00 0.19 H new ATOM 0 HB3 GLU A 238 7.007 -7.206 -7.404 1.00 0.19 H new ATOM 0 HG2 GLU A 238 6.327 -8.947 -5.826 1.00 1.06 H new ATOM 0 HG3 GLU A 238 4.668 -8.856 -6.384 1.00 1.06 H new ATOM 1212 N ILE A 239 3.460 -7.214 -5.330 1.00 0.12 N ATOM 1213 CA ILE A 239 2.022 -7.415 -5.234 1.00 0.12 C ATOM 1214 C ILE A 239 1.379 -6.256 -4.446 1.00 0.12 C ATOM 1215 O ILE A 239 0.247 -5.843 -4.724 1.00 0.12 O ATOM 1216 CB ILE A 239 1.731 -8.796 -4.593 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.470 -9.448 -5.190 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.635 -8.695 -3.085 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.798 -8.637 -5.045 1.00 0.26 C ATOM 0 H ILE A 239 4.013 -7.872 -4.780 1.00 0.12 H new ATOM 0 HA ILE A 239 1.577 -7.414 -6.229 1.00 0.12 H new ATOM 0 HB ILE A 239 2.574 -9.445 -4.829 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.644 -9.637 -6.249 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.320 -10.417 -4.714 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.430 -9.680 -2.667 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.577 -8.319 -2.685 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.829 -8.012 -2.817 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.630 -9.179 -5.495 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -1.004 -8.470 -3.988 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.676 -7.677 -5.547 1.00 0.26 H new ATOM 1231 N LEU A 240 2.141 -5.705 -3.502 1.00 0.13 N ATOM 1232 CA LEU A 240 1.695 -4.559 -2.715 1.00 0.14 C ATOM 1233 C LEU A 240 1.366 -3.399 -3.641 1.00 0.14 C ATOM 1234 O LEU A 240 0.246 -2.890 -3.668 1.00 0.14 O ATOM 1235 CB LEU A 240 2.789 -4.125 -1.733 1.00 0.18 C ATOM 1236 CG LEU A 240 2.591 -4.540 -0.276 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.761 -4.055 0.557 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.292 -3.977 0.278 1.00 0.25 C ATOM 0 H LEU A 240 3.075 -6.037 -3.264 1.00 0.13 H new ATOM 0 HA LEU A 240 0.807 -4.848 -2.153 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.740 -4.530 -2.078 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.873 -3.039 -1.772 1.00 0.18 H new ATOM 0 HG LEU A 240 2.538 -5.628 -0.231 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.616 -4.353 1.596 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.684 -4.494 0.179 1.00 0.45 H new ATOM 0 HD13 LEU A 240 3.825 -2.969 0.497 1.00 0.45 H new ATOM 0 HD21 LEU A 240 1.175 -4.287 1.316 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.315 -2.889 0.224 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.453 -4.351 -0.309 1.00 0.25 H new ATOM 1250 N TRP A 241 2.363 -3.022 -4.421 1.00 0.14 N ATOM 1251 CA TRP A 241 2.266 -1.920 -5.364 1.00 0.15 C ATOM 1252 C TRP A 241 1.128 -2.074 -6.355 1.00 0.15 C ATOM 1253 O TRP A 241 0.504 -1.099 -6.759 1.00 0.16 O ATOM 1254 CB TRP A 241 3.584 -1.828 -6.092 1.00 0.17 C ATOM 1255 CG TRP A 241 4.622 -1.344 -5.143 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.547 -2.094 -4.489 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.800 0.002 -4.686 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.287 -1.304 -3.660 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.859 -0.013 -3.769 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.176 1.219 -4.972 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.307 1.129 -3.126 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.627 2.360 -4.336 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.685 2.307 -3.422 1.00 0.19 C ATOM 0 H TRP A 241 3.275 -3.478 -4.418 1.00 0.14 H new ATOM 0 HA TRP A 241 2.049 -1.008 -4.808 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.863 -2.803 -6.492 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.501 -1.148 -6.940 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.677 -3.159 -4.608 1.00 0.17 H new ATOM 0 HE1 TRP A 241 7.041 -1.627 -3.054 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.358 1.267 -5.676 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.120 1.089 -2.416 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.155 3.308 -4.548 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.016 3.216 -2.941 1.00 0.19 H new ATOM 1274 N SER A 242 0.888 -3.316 -6.747 1.00 0.15 N ATOM 1275 CA SER A 242 -0.178 -3.641 -7.683 1.00 0.15 C ATOM 1276 C SER A 242 -1.510 -3.141 -7.139 1.00 0.14 C ATOM 1277 O SER A 242 -2.278 -2.477 -7.839 1.00 0.14 O ATOM 1278 CB SER A 242 -0.232 -5.156 -7.900 1.00 0.16 C ATOM 1279 OG SER A 242 -1.279 -5.520 -8.788 1.00 0.24 O ATOM 0 H SER A 242 1.423 -4.123 -6.427 1.00 0.15 H new ATOM 0 HA SER A 242 0.019 -3.154 -8.638 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.721 -5.501 -8.300 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.376 -5.656 -6.942 1.00 0.16 H new ATOM 0 HG SER A 242 -1.285 -6.493 -8.906 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.757 -3.443 -5.871 1.00 0.13 N ATOM 1286 CA HIS A 243 -2.959 -2.975 -5.202 1.00 0.13 C ATOM 1287 C HIS A 243 -2.904 -1.461 -5.014 1.00 0.13 C ATOM 1288 O HIS A 243 -3.927 -0.786 -4.999 1.00 0.13 O ATOM 1289 CB HIS A 243 -3.125 -3.680 -3.851 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.279 -3.177 -3.042 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.147 -2.921 -1.703 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.555 -2.910 -3.421 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.330 -2.509 -1.296 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.217 -2.486 -2.299 1.00 0.17 N ATOM 0 H HIS A 243 -1.141 -4.009 -5.288 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.822 -3.215 -5.824 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.253 -4.749 -4.023 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.209 -3.558 -3.274 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.305 -3.028 -1.137 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.968 -3.012 -4.414 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.557 -2.225 -0.279 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.696 -0.937 -4.905 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.512 0.486 -4.662 1.00 0.12 C ATOM 1304 C LEU A 244 -1.820 1.295 -5.917 1.00 0.13 C ATOM 1305 O LEU A 244 -2.472 2.341 -5.843 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.105 0.792 -4.156 1.00 0.13 C ATOM 1307 CG LEU A 244 0.140 2.263 -3.837 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -1.029 2.825 -3.044 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.440 2.430 -3.065 1.00 0.17 C ATOM 0 H LEU A 244 -0.830 -1.471 -4.980 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.215 0.778 -3.882 1.00 0.12 H new ATOM 0 HB2 LEU A 244 0.083 0.202 -3.259 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.617 0.470 -4.907 1.00 0.13 H new ATOM 0 HG LEU A 244 0.226 2.816 -4.772 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.845 3.876 -2.821 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.944 2.733 -3.630 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -1.137 2.270 -2.112 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.600 3.486 -2.845 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.383 1.870 -2.132 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.270 2.054 -3.664 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.347 0.819 -7.063 1.00 0.15 N ATOM 1322 CA GLU A 245 -1.715 1.417 -8.338 1.00 0.18 C ATOM 1323 C GLU A 245 -3.234 1.438 -8.463 1.00 0.17 C ATOM 1324 O GLU A 245 -3.833 2.439 -8.847 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.090 0.638 -9.502 1.00 0.25 C ATOM 1326 CG GLU A 245 0.432 0.587 -9.463 1.00 0.34 C ATOM 1327 CD GLU A 245 1.021 -0.251 -10.584 1.00 0.59 C ATOM 1328 OE1 GLU A 245 0.935 0.175 -11.755 1.00 0.83 O ATOM 1329 OE2 GLU A 245 1.575 -1.337 -10.301 1.00 0.76 O ATOM 0 H GLU A 245 -0.711 0.025 -7.134 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.336 2.438 -8.378 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.478 -0.380 -9.495 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.405 1.093 -10.441 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.827 1.601 -9.527 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.753 0.180 -8.504 1.00 0.34 H new ATOM 1336 N LEU A 246 -3.835 0.324 -8.073 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.280 0.147 -8.098 1.00 0.16 C ATOM 1338 C LEU A 246 -5.972 1.063 -7.083 1.00 0.16 C ATOM 1339 O LEU A 246 -7.048 1.590 -7.360 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.603 -1.327 -7.820 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.062 -1.736 -7.940 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.430 -1.938 -9.397 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.315 -3.007 -7.152 1.00 0.22 C ATOM 0 H LEU A 246 -3.329 -0.491 -7.727 1.00 0.16 H new ATOM 0 HA LEU A 246 -5.658 0.423 -9.082 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.019 -1.940 -8.507 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.263 -1.567 -6.812 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.685 -0.941 -7.530 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.477 -2.231 -9.471 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.274 -1.008 -9.944 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -6.804 -2.720 -9.825 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.363 -3.290 -7.245 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -6.687 -3.808 -7.542 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.077 -2.837 -6.102 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.361 1.263 -5.933 1.00 0.17 N ATOM 1356 CA LEU A 247 -5.856 2.239 -4.964 1.00 0.16 C ATOM 1357 C LEU A 247 -5.950 3.641 -5.571 1.00 0.17 C ATOM 1358 O LEU A 247 -7.042 4.194 -5.696 1.00 0.19 O ATOM 1359 CB LEU A 247 -4.964 2.275 -3.720 1.00 0.15 C ATOM 1360 CG LEU A 247 -5.061 1.056 -2.803 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -4.089 1.188 -1.645 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.479 0.887 -2.282 1.00 0.19 C ATOM 0 H LEU A 247 -4.520 0.766 -5.640 1.00 0.17 H new ATOM 0 HA LEU A 247 -6.858 1.922 -4.676 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -3.928 2.385 -4.041 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.214 3.164 -3.141 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.799 0.171 -3.382 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -4.170 0.313 -1.001 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -3.072 1.263 -2.030 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -4.326 2.084 -1.071 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.526 0.014 -1.631 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.768 1.775 -1.719 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.161 0.751 -3.121 1.00 0.19 H new ATOM 1374 N ARG A 248 -4.834 4.204 -5.989 1.00 0.18 N ATOM 1375 CA ARG A 248 -4.845 5.608 -6.400 1.00 0.22 C ATOM 1376 C ARG A 248 -5.565 5.801 -7.740 1.00 0.23 C ATOM 1377 O ARG A 248 -5.993 6.909 -8.072 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.434 6.187 -6.438 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.607 5.781 -7.646 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.245 6.459 -7.621 1.00 0.27 C ATOM 1381 NE ARG A 248 -1.299 7.775 -6.977 1.00 1.21 N ATOM 1382 CZ ARG A 248 -0.352 8.706 -7.075 1.00 1.50 C ATOM 1383 NH1 ARG A 248 0.684 8.532 -7.886 1.00 1.09 N ATOM 1384 NH2 ARG A 248 -0.455 9.819 -6.360 1.00 2.49 N ATOM 0 H ARG A 248 -3.930 3.735 -6.055 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.408 6.161 -5.648 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.503 7.275 -6.412 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -2.907 5.879 -5.535 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.479 4.699 -7.658 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.135 6.050 -8.561 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -0.534 5.825 -7.091 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -0.876 6.569 -8.641 1.00 0.27 H new ATOM 0 HE ARG A 248 -2.121 7.993 -6.414 1.00 1.21 H new ATOM 0 HH11 ARG A 248 0.760 7.680 -8.441 1.00 1.09 H new ATOM 0 HH12 ARG A 248 1.404 9.251 -7.954 1.00 1.09 H new ATOM 0 HH21 ARG A 248 -1.255 9.956 -5.742 1.00 2.49 H new ATOM 0 HH22 ARG A 248 0.266 10.538 -6.429 1.00 2.49 H new ATOM 1398 N LYS A 249 -5.720 4.718 -8.485 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.497 4.734 -9.723 1.00 0.25 C ATOM 1400 C LYS A 249 -7.997 4.733 -9.447 1.00 0.20 C ATOM 1401 O LYS A 249 -8.767 5.361 -10.171 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.142 3.530 -10.591 1.00 0.33 C ATOM 1403 CG LYS A 249 -4.865 3.725 -11.391 1.00 0.44 C ATOM 1404 CD LYS A 249 -4.582 2.540 -12.302 1.00 1.04 C ATOM 1405 CE LYS A 249 -5.701 2.315 -13.309 1.00 1.12 C ATOM 1406 NZ LYS A 249 -5.992 3.534 -14.110 1.00 1.32 N ATOM 0 H LYS A 249 -5.317 3.810 -8.255 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.245 5.654 -10.251 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.034 2.651 -9.955 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -6.965 3.329 -11.276 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.946 4.632 -11.990 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -4.027 3.867 -10.709 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -3.645 2.707 -12.833 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -4.451 1.642 -11.698 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -5.426 1.500 -13.978 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -6.604 2.005 -12.783 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -6.622 3.288 -14.900 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -6.455 4.244 -13.507 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -5.103 3.924 -14.484 1.00 1.32 H new