USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 139 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 140 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.28) USER MOD Single : A 128 SER OG : rot 180:sc= -0.142 USER MOD Single : A 129 TYR OH : rot 37:sc= 0.507 USER MOD Single : A 132 GLN : amide:sc= -0.0049 X(o=-0.0049,f=-0.0049) USER MOD Single : A 134 LYS NZ :NH3+ -163:sc= -0.0996 (180deg=-0.447) USER MOD Single : A 136 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.11) USER MOD Single : A 142 GLN : amide:sc= -0.596 K(o=-0.6,f=-5.6!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -1.01 K(o=-1,f=-0.0014) USER MOD Single : A 151 MET CE :methyl -162:sc= -0.112 (180deg=-0.549) USER MOD Single : A 152 LYS NZ :NH3+ -168:sc= -0.0426 (180deg=-0.25) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -38:sc= 0.939 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot 160:sc= -0.648 USER MOD Single : A 169 SER OG : rot -15:sc= 0.0911 USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 LYS NZ :NH3+ -170:sc=-0.00783 (180deg=-0.148) USER MOD Single : A 175 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.027) USER MOD Single : A 184 THR OG1 : rot -14:sc= 0.213 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.642 8.888 3.513 1.00 0.00 N ATOM 129 CA ALA A 126 -5.149 7.847 2.618 1.00 0.00 C ATOM 130 C ALA A 126 -3.772 8.201 2.075 1.00 0.00 C ATOM 131 O ALA A 126 -2.940 7.325 1.840 1.00 0.00 O ATOM 132 CB ALA A 126 -6.123 7.633 1.471 1.00 0.00 C ATOM 0 HA ALA A 126 -5.064 6.923 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.742 6.853 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.092 7.331 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.234 8.561 0.910 1.00 0.00 H new ATOM 138 N LEU A 127 -3.540 9.494 1.877 1.00 0.00 N ATOM 139 CA LEU A 127 -2.267 9.970 1.354 1.00 0.00 C ATOM 140 C LEU A 127 -1.205 9.999 2.448 1.00 0.00 C ATOM 141 O LEU A 127 -0.067 10.401 2.211 1.00 0.00 O ATOM 142 CB LEU A 127 -2.436 11.365 0.749 1.00 0.00 C ATOM 143 CG LEU A 127 -1.507 11.682 -0.424 1.00 0.00 C ATOM 144 CD1 LEU A 127 -1.797 10.758 -1.597 1.00 0.00 C ATOM 145 CD2 LEU A 127 -1.653 13.137 -0.842 1.00 0.00 C ATOM 0 H LEU A 127 -4.218 10.231 2.071 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.938 9.281 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.468 11.476 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.272 12.106 1.532 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.478 11.519 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.127 10.997 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.642 9.723 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.830 10.891 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.985 13.344 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.683 13.327 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.397 13.784 -0.003 1.00 0.00 H new ATOM 157 N SER A 128 -1.588 9.573 3.648 1.00 0.00 N ATOM 158 CA SER A 128 -0.667 9.546 4.778 1.00 0.00 C ATOM 159 C SER A 128 0.422 8.499 4.564 1.00 0.00 C ATOM 160 O SER A 128 1.610 8.822 4.542 1.00 0.00 O ATOM 161 CB SER A 128 -1.425 9.256 6.074 1.00 0.00 C ATOM 162 OG SER A 128 -2.107 8.016 6.000 1.00 0.00 O ATOM 0 H SER A 128 -2.529 9.242 3.862 1.00 0.00 H new ATOM 0 HA SER A 128 -0.195 10.525 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.727 9.241 6.911 1.00 0.00 H new ATOM 0 HB3 SER A 128 -2.139 10.056 6.268 1.00 0.00 H new ATOM 0 HG SER A 128 -2.582 7.853 6.841 1.00 0.00 H new ATOM 168 N TYR A 129 0.010 7.245 4.407 1.00 0.00 N ATOM 169 CA TYR A 129 0.952 6.153 4.193 1.00 0.00 C ATOM 170 C TYR A 129 1.528 6.204 2.781 1.00 0.00 C ATOM 171 O TYR A 129 2.715 5.950 2.575 1.00 0.00 O ATOM 172 CB TYR A 129 0.269 4.804 4.435 1.00 0.00 C ATOM 173 CG TYR A 129 1.154 3.613 4.143 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.236 3.306 4.959 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.908 2.795 3.047 1.00 0.00 C ATOM 176 CE1 TYR A 129 3.046 2.218 4.692 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.713 1.705 2.774 1.00 0.00 C ATOM 178 CZ TYR A 129 2.780 1.422 3.598 1.00 0.00 C ATOM 179 OH TYR A 129 3.585 0.339 3.328 1.00 0.00 O ATOM 0 H TYR A 129 -0.969 6.960 4.424 1.00 0.00 H new ATOM 0 HA TYR A 129 1.771 6.266 4.904 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.061 4.755 5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.624 4.743 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.448 3.928 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 129 0.074 3.015 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.883 1.993 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.506 1.078 1.919 1.00 0.00 H new ATOM 0 HH TYR A 129 3.861 -0.082 4.169 1.00 0.00 H new ATOM 189 N LEU A 130 0.679 6.536 1.811 1.00 0.00 N ATOM 190 CA LEU A 130 1.105 6.624 0.418 1.00 0.00 C ATOM 191 C LEU A 130 2.286 7.578 0.274 1.00 0.00 C ATOM 192 O LEU A 130 3.241 7.296 -0.451 1.00 0.00 O ATOM 193 CB LEU A 130 -0.055 7.090 -0.466 1.00 0.00 C ATOM 194 CG LEU A 130 -1.244 6.128 -0.542 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.356 6.722 -1.390 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.811 4.782 -1.106 1.00 0.00 C ATOM 0 H LEU A 130 -0.307 6.748 1.965 1.00 0.00 H new ATOM 0 HA LEU A 130 1.419 5.631 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.409 8.052 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.322 7.256 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.622 5.973 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.193 6.025 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.689 7.661 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.986 6.907 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.670 4.113 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.406 4.921 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -0.046 4.347 -0.462 1.00 0.00 H new ATOM 208 N ASP A 131 2.215 8.708 0.973 1.00 0.00 N ATOM 209 CA ASP A 131 3.282 9.701 0.929 1.00 0.00 C ATOM 210 C ASP A 131 4.581 9.113 1.468 1.00 0.00 C ATOM 211 O ASP A 131 5.662 9.384 0.944 1.00 0.00 O ATOM 212 CB ASP A 131 2.892 10.941 1.736 1.00 0.00 C ATOM 213 CG ASP A 131 3.986 11.990 1.748 1.00 0.00 C ATOM 214 OD1 ASP A 131 4.056 12.786 0.788 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.772 12.017 2.719 1.00 0.00 O ATOM 0 H ASP A 131 1.431 8.958 1.575 1.00 0.00 H new ATOM 0 HA ASP A 131 3.435 9.993 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.983 11.373 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.663 10.647 2.760 1.00 0.00 H new ATOM 220 N GLN A 132 4.465 8.309 2.522 1.00 0.00 N ATOM 221 CA GLN A 132 5.624 7.670 3.130 1.00 0.00 C ATOM 222 C GLN A 132 6.309 6.739 2.136 1.00 0.00 C ATOM 223 O GLN A 132 7.536 6.703 2.044 1.00 0.00 O ATOM 224 CB GLN A 132 5.192 6.883 4.365 1.00 0.00 C ATOM 225 CG GLN A 132 4.543 7.747 5.432 1.00 0.00 C ATOM 226 CD GLN A 132 5.535 8.660 6.127 1.00 0.00 C ATOM 227 OE1 GLN A 132 5.754 9.795 5.703 1.00 0.00 O ATOM 228 NE2 GLN A 132 6.143 8.167 7.199 1.00 0.00 N ATOM 0 H GLN A 132 3.577 8.086 2.972 1.00 0.00 H new ATOM 0 HA GLN A 132 6.333 8.444 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.492 6.103 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.062 6.383 4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 132 3.757 8.350 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.065 7.106 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 132 5.931 7.221 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 132 6.822 8.734 7.706 1.00 0.00 H new ATOM 237 N VAL A 133 5.502 5.984 1.396 1.00 0.00 N ATOM 238 CA VAL A 133 6.018 5.051 0.402 1.00 0.00 C ATOM 239 C VAL A 133 6.790 5.783 -0.691 1.00 0.00 C ATOM 240 O VAL A 133 7.901 5.391 -1.048 1.00 0.00 O ATOM 241 CB VAL A 133 4.879 4.240 -0.247 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.432 3.241 -1.251 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.055 3.532 0.818 1.00 0.00 C ATOM 0 H VAL A 133 4.485 6.001 1.467 1.00 0.00 H new ATOM 0 HA VAL A 133 6.690 4.370 0.924 1.00 0.00 H new ATOM 0 HB VAL A 133 4.228 4.932 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.610 2.680 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.974 3.773 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.109 2.553 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.256 2.964 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.695 2.854 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.623 4.270 1.494 1.00 0.00 H new ATOM 253 N LYS A 134 6.193 6.848 -1.218 1.00 0.00 N ATOM 254 CA LYS A 134 6.824 7.635 -2.272 1.00 0.00 C ATOM 255 C LYS A 134 8.057 8.364 -1.746 1.00 0.00 C ATOM 256 O LYS A 134 8.994 8.639 -2.497 1.00 0.00 O ATOM 257 CB LYS A 134 5.823 8.641 -2.848 1.00 0.00 C ATOM 258 CG LYS A 134 6.407 9.535 -3.933 1.00 0.00 C ATOM 259 CD LYS A 134 5.354 10.467 -4.514 1.00 0.00 C ATOM 260 CE LYS A 134 4.312 9.705 -5.318 1.00 0.00 C ATOM 261 NZ LYS A 134 4.922 8.950 -6.446 1.00 0.00 N ATOM 0 H LYS A 134 5.274 7.186 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 134 7.142 6.955 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.971 8.098 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.444 9.266 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.226 10.123 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.827 8.918 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.864 11.011 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.836 11.208 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.783 9.013 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.572 10.404 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.182 8.687 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.632 9.545 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.379 8.090 -6.081 1.00 0.00 H new ATOM 275 N LEU A 135 8.051 8.672 -0.453 1.00 0.00 N ATOM 276 CA LEU A 135 9.171 9.368 0.172 1.00 0.00 C ATOM 277 C LEU A 135 10.389 8.455 0.271 1.00 0.00 C ATOM 278 O LEU A 135 11.502 8.849 -0.083 1.00 0.00 O ATOM 279 CB LEU A 135 8.778 9.870 1.562 1.00 0.00 C ATOM 280 CG LEU A 135 9.851 10.689 2.285 1.00 0.00 C ATOM 281 CD1 LEU A 135 10.162 11.963 1.514 1.00 0.00 C ATOM 282 CD2 LEU A 135 9.405 11.017 3.702 1.00 0.00 C ATOM 0 H LEU A 135 7.284 8.451 0.182 1.00 0.00 H new ATOM 0 HA LEU A 135 9.430 10.223 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.879 10.479 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.520 9.011 2.182 1.00 0.00 H new ATOM 0 HG LEU A 135 10.761 10.092 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.927 12.531 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.525 11.707 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.258 12.565 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.179 11.599 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.481 11.595 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.234 10.092 4.253 1.00 0.00 H new ATOM 294 N GLN A 136 10.173 7.237 0.756 1.00 0.00 N ATOM 295 CA GLN A 136 11.255 6.268 0.899 1.00 0.00 C ATOM 296 C GLN A 136 11.757 5.814 -0.468 1.00 0.00 C ATOM 297 O GLN A 136 12.964 5.704 -0.693 1.00 0.00 O ATOM 298 CB GLN A 136 10.783 5.059 1.708 1.00 0.00 C ATOM 299 CG GLN A 136 10.410 5.394 3.143 1.00 0.00 C ATOM 300 CD GLN A 136 11.583 5.927 3.945 1.00 0.00 C ATOM 301 OE1 GLN A 136 11.410 6.747 4.848 1.00 0.00 O ATOM 302 NE2 GLN A 136 12.786 5.461 3.627 1.00 0.00 N ATOM 0 H GLN A 136 9.260 6.897 1.057 1.00 0.00 H new ATOM 0 HA GLN A 136 12.076 6.751 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 136 9.920 4.615 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.571 4.306 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 136 9.610 6.134 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 136 10.018 4.501 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 136 12.887 4.782 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.609 5.782 4.138 1.00 0.00 H new ATOM 311 N PHE A 137 10.823 5.552 -1.378 1.00 0.00 N ATOM 312 CA PHE A 137 11.167 5.111 -2.723 1.00 0.00 C ATOM 313 C PHE A 137 10.859 6.200 -3.747 1.00 0.00 C ATOM 314 O PHE A 137 9.733 6.307 -4.233 1.00 0.00 O ATOM 315 CB PHE A 137 10.404 3.833 -3.076 1.00 0.00 C ATOM 316 CG PHE A 137 10.720 2.676 -2.171 1.00 0.00 C ATOM 317 CD1 PHE A 137 9.983 2.462 -1.016 1.00 0.00 C ATOM 318 CD2 PHE A 137 11.752 1.804 -2.475 1.00 0.00 C ATOM 319 CE1 PHE A 137 10.271 1.398 -0.181 1.00 0.00 C ATOM 320 CE2 PHE A 137 12.045 0.739 -1.644 1.00 0.00 C ATOM 321 CZ PHE A 137 11.303 0.535 -0.496 1.00 0.00 C ATOM 0 H PHE A 137 9.821 5.638 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 137 12.237 4.904 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.334 4.035 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.635 3.554 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 137 9.175 3.134 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 137 12.334 1.958 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 137 9.690 1.242 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 137 12.853 0.067 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.529 -0.297 0.154 1.00 0.00 H new ATOM 331 N GLY A 138 11.865 7.008 -4.061 1.00 0.00 N ATOM 332 CA GLY A 138 11.687 8.078 -5.025 1.00 0.00 C ATOM 333 C GLY A 138 12.514 7.869 -6.276 1.00 0.00 C ATOM 334 O GLY A 138 12.253 8.480 -7.313 1.00 0.00 O ATOM 0 H GLY A 138 12.802 6.941 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.634 8.148 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.962 9.027 -4.565 1.00 0.00 H new ATOM 338 N SER A 139 13.517 7.002 -6.178 1.00 0.00 N ATOM 339 CA SER A 139 14.391 6.709 -7.308 1.00 0.00 C ATOM 340 C SER A 139 13.845 5.548 -8.130 1.00 0.00 C ATOM 341 O SER A 139 14.115 5.440 -9.327 1.00 0.00 O ATOM 342 CB SER A 139 15.801 6.382 -6.816 1.00 0.00 C ATOM 343 OG SER A 139 16.671 6.108 -7.901 1.00 0.00 O ATOM 0 H SER A 139 13.745 6.489 -5.326 1.00 0.00 H new ATOM 0 HA SER A 139 14.431 7.593 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.190 7.219 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.766 5.521 -6.148 1.00 0.00 H new ATOM 0 HG SER A 139 17.566 5.904 -7.559 1.00 0.00 H new ATOM 349 N GLN A 140 13.077 4.680 -7.481 1.00 0.00 N ATOM 350 CA GLN A 140 12.492 3.525 -8.152 1.00 0.00 C ATOM 351 C GLN A 140 10.967 3.619 -8.167 1.00 0.00 C ATOM 352 O GLN A 140 10.298 3.077 -7.287 1.00 0.00 O ATOM 353 CB GLN A 140 12.929 2.232 -7.462 1.00 0.00 C ATOM 354 CG GLN A 140 14.437 2.054 -7.407 1.00 0.00 C ATOM 355 CD GLN A 140 15.063 1.947 -8.785 1.00 0.00 C ATOM 356 OE1 GLN A 140 15.457 2.949 -9.380 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.152 0.726 -9.300 1.00 0.00 N ATOM 0 H GLN A 140 12.845 4.754 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 140 12.848 3.516 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.532 2.219 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.490 1.383 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.879 2.897 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.673 1.157 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 140 14.812 -0.077 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 140 15.560 0.591 -10.225 1.00 0.00 H new ATOM 366 N PRO A 141 10.397 4.320 -9.165 1.00 0.00 N ATOM 367 CA PRO A 141 8.944 4.478 -9.283 1.00 0.00 C ATOM 368 C PRO A 141 8.243 3.164 -9.613 1.00 0.00 C ATOM 369 O PRO A 141 7.014 3.096 -9.644 1.00 0.00 O ATOM 370 CB PRO A 141 8.780 5.477 -10.432 1.00 0.00 C ATOM 371 CG PRO A 141 10.029 5.345 -11.233 1.00 0.00 C ATOM 372 CD PRO A 141 11.117 5.012 -10.251 1.00 0.00 C ATOM 0 HA PRO A 141 8.496 4.813 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 141 7.899 5.248 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.656 6.493 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.929 4.562 -11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.252 6.271 -11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.880 4.374 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.622 5.909 -9.891 1.00 0.00 H new ATOM 380 N GLN A 142 9.032 2.123 -9.863 1.00 0.00 N ATOM 381 CA GLN A 142 8.484 0.811 -10.187 1.00 0.00 C ATOM 382 C GLN A 142 7.728 0.234 -8.994 1.00 0.00 C ATOM 383 O GLN A 142 6.599 -0.235 -9.131 1.00 0.00 O ATOM 384 CB GLN A 142 9.599 -0.150 -10.613 1.00 0.00 C ATOM 385 CG GLN A 142 10.282 0.240 -11.915 1.00 0.00 C ATOM 386 CD GLN A 142 11.166 1.464 -11.774 1.00 0.00 C ATOM 387 OE1 GLN A 142 11.732 1.717 -10.710 1.00 0.00 O ATOM 388 NE2 GLN A 142 11.290 2.230 -12.851 1.00 0.00 N ATOM 0 H GLN A 142 10.051 2.163 -9.847 1.00 0.00 H new ATOM 0 HA GLN A 142 7.789 0.932 -11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 142 10.347 -0.198 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 142 9.182 -1.152 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 142 10.883 -0.597 -12.269 1.00 0.00 H new ATOM 0 HG3 GLN A 142 9.524 0.431 -12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 142 10.803 1.982 -13.712 1.00 0.00 H new ATOM 0 HE22 GLN A 142 11.873 3.066 -12.818 1.00 0.00 H new ATOM 397 N VAL A 143 8.359 0.277 -7.823 1.00 0.00 N ATOM 398 CA VAL A 143 7.748 -0.240 -6.602 1.00 0.00 C ATOM 399 C VAL A 143 6.435 0.476 -6.300 1.00 0.00 C ATOM 400 O VAL A 143 5.485 -0.131 -5.801 1.00 0.00 O ATOM 401 CB VAL A 143 8.695 -0.085 -5.395 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.080 -0.693 -4.144 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.046 -0.719 -5.694 1.00 0.00 C ATOM 0 H VAL A 143 9.294 0.665 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 143 7.551 -1.299 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 143 8.847 0.979 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.766 -0.572 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.140 -0.190 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.893 -1.754 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.702 -0.601 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.911 -1.780 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.493 -0.231 -6.560 1.00 0.00 H new ATOM 413 N TYR A 144 6.388 1.767 -6.608 1.00 0.00 N ATOM 414 CA TYR A 144 5.194 2.571 -6.373 1.00 0.00 C ATOM 415 C TYR A 144 4.040 2.088 -7.249 1.00 0.00 C ATOM 416 O TYR A 144 2.927 1.874 -6.766 1.00 0.00 O ATOM 417 CB TYR A 144 5.491 4.046 -6.657 1.00 0.00 C ATOM 418 CG TYR A 144 4.397 4.991 -6.215 1.00 0.00 C ATOM 419 CD1 TYR A 144 4.337 5.451 -4.905 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.428 5.430 -7.109 1.00 0.00 C ATOM 421 CE1 TYR A 144 3.340 6.319 -4.497 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.430 6.300 -6.709 1.00 0.00 C ATOM 423 CZ TYR A 144 2.391 6.741 -5.404 1.00 0.00 C ATOM 424 OH TYR A 144 1.398 7.605 -5.004 1.00 0.00 O ATOM 0 H TYR A 144 7.166 2.281 -7.022 1.00 0.00 H new ATOM 0 HA TYR A 144 4.902 2.462 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.419 4.322 -6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.656 4.173 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 144 5.081 5.125 -4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.455 5.086 -8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 144 3.305 6.664 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 144 1.685 6.632 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 144 0.812 7.804 -5.764 1.00 0.00 H new ATOM 434 N ASN A 145 4.318 1.914 -8.539 1.00 0.00 N ATOM 435 CA ASN A 145 3.309 1.454 -9.486 1.00 0.00 C ATOM 436 C ASN A 145 2.761 0.090 -9.079 1.00 0.00 C ATOM 437 O ASN A 145 1.547 -0.105 -9.003 1.00 0.00 O ATOM 438 CB ASN A 145 3.897 1.382 -10.896 1.00 0.00 C ATOM 439 CG ASN A 145 2.874 0.960 -11.934 1.00 0.00 C ATOM 440 OD1 ASN A 145 3.209 0.304 -12.921 1.00 0.00 O ATOM 441 ND2 ASN A 145 1.619 1.339 -11.720 1.00 0.00 N ATOM 0 H ASN A 145 5.235 2.085 -8.951 1.00 0.00 H new ATOM 0 HA ASN A 145 2.488 2.171 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.303 2.357 -11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.729 0.677 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.889 1.087 -12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.385 1.882 -10.889 1.00 0.00 H new ATOM 448 N ASP A 146 3.664 -0.853 -8.819 1.00 0.00 N ATOM 449 CA ASP A 146 3.271 -2.200 -8.417 1.00 0.00 C ATOM 450 C ASP A 146 2.348 -2.158 -7.203 1.00 0.00 C ATOM 451 O ASP A 146 1.312 -2.824 -7.177 1.00 0.00 O ATOM 452 CB ASP A 146 4.505 -3.049 -8.103 1.00 0.00 C ATOM 453 CG ASP A 146 5.303 -3.393 -9.347 1.00 0.00 C ATOM 454 OD1 ASP A 146 4.841 -4.252 -10.128 1.00 0.00 O ATOM 455 OD2 ASP A 146 6.389 -2.808 -9.537 1.00 0.00 O ATOM 0 H ASP A 146 4.672 -0.709 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 146 2.732 -2.653 -9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.144 -2.511 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 146 4.193 -3.969 -7.609 1.00 0.00 H new ATOM 460 N PHE A 147 2.731 -1.370 -6.201 1.00 0.00 N ATOM 461 CA PHE A 147 1.931 -1.240 -4.988 1.00 0.00 C ATOM 462 C PHE A 147 0.515 -0.789 -5.328 1.00 0.00 C ATOM 463 O PHE A 147 -0.459 -1.327 -4.804 1.00 0.00 O ATOM 464 CB PHE A 147 2.581 -0.247 -4.024 1.00 0.00 C ATOM 465 CG PHE A 147 1.804 -0.046 -2.754 1.00 0.00 C ATOM 466 CD1 PHE A 147 1.818 -1.012 -1.760 1.00 0.00 C ATOM 467 CD2 PHE A 147 1.060 1.106 -2.553 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.104 -0.831 -0.590 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.345 1.292 -1.385 1.00 0.00 C ATOM 470 CZ PHE A 147 0.368 0.322 -0.402 1.00 0.00 C ATOM 0 H PHE A 147 3.587 -0.815 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 147 1.880 -2.216 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.583 -0.597 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.694 0.713 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.393 -1.915 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 147 1.039 1.868 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.122 -1.591 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.231 2.194 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.189 0.465 0.512 1.00 0.00 H new ATOM 480 N LEU A 148 0.411 0.203 -6.208 1.00 0.00 N ATOM 481 CA LEU A 148 -0.888 0.721 -6.626 1.00 0.00 C ATOM 482 C LEU A 148 -1.757 -0.397 -7.193 1.00 0.00 C ATOM 483 O LEU A 148 -2.916 -0.549 -6.812 1.00 0.00 O ATOM 484 CB LEU A 148 -0.713 1.822 -7.674 1.00 0.00 C ATOM 485 CG LEU A 148 -0.042 3.101 -7.171 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.210 4.057 -8.327 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.897 3.770 -6.105 1.00 0.00 C ATOM 0 H LEU A 148 1.209 0.664 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.382 1.140 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.125 1.424 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.694 2.079 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 148 0.916 2.835 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.688 4.962 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.861 3.579 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.738 4.316 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.403 4.678 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.870 4.024 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.031 3.088 -5.265 1.00 0.00 H new ATOM 499 N ASP A 149 -1.183 -1.174 -8.107 1.00 0.00 N ATOM 500 CA ASP A 149 -1.898 -2.282 -8.734 1.00 0.00 C ATOM 501 C ASP A 149 -2.476 -3.228 -7.685 1.00 0.00 C ATOM 502 O ASP A 149 -3.657 -3.577 -7.734 1.00 0.00 O ATOM 503 CB ASP A 149 -0.962 -3.050 -9.669 1.00 0.00 C ATOM 504 CG ASP A 149 -1.624 -4.270 -10.280 1.00 0.00 C ATOM 505 OD1 ASP A 149 -2.257 -4.130 -11.347 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.507 -5.365 -9.692 1.00 0.00 O ATOM 0 H ASP A 149 -0.223 -1.057 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.724 -1.867 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.625 -2.387 -10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -0.076 -3.360 -9.116 1.00 0.00 H new ATOM 511 N ILE A 150 -1.638 -3.639 -6.737 1.00 0.00 N ATOM 512 CA ILE A 150 -2.065 -4.549 -5.680 1.00 0.00 C ATOM 513 C ILE A 150 -3.241 -3.978 -4.891 1.00 0.00 C ATOM 514 O ILE A 150 -4.242 -4.660 -4.673 1.00 0.00 O ATOM 515 CB ILE A 150 -0.912 -4.861 -4.706 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.294 -5.409 -5.472 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.369 -5.854 -3.646 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.546 -5.524 -4.632 1.00 0.00 C ATOM 0 H ILE A 150 -0.660 -3.356 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.378 -5.470 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.615 -3.938 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.044 -6.392 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.497 -4.761 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.544 -6.065 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.203 -5.430 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.688 -6.779 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.358 -5.919 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.822 -4.540 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.361 -6.196 -3.794 1.00 0.00 H new ATOM 530 N MET A 151 -3.113 -2.724 -4.464 1.00 0.00 N ATOM 531 CA MET A 151 -4.167 -2.069 -3.696 1.00 0.00 C ATOM 532 C MET A 151 -5.461 -1.986 -4.500 1.00 0.00 C ATOM 533 O MET A 151 -6.554 -2.040 -3.939 1.00 0.00 O ATOM 534 CB MET A 151 -3.728 -0.667 -3.268 1.00 0.00 C ATOM 535 CG MET A 151 -2.509 -0.661 -2.357 1.00 0.00 C ATOM 536 SD MET A 151 -2.773 -1.592 -0.835 1.00 0.00 S ATOM 537 CE MET A 151 -4.134 -0.682 -0.109 1.00 0.00 C ATOM 0 H MET A 151 -2.292 -2.143 -4.636 1.00 0.00 H new ATOM 0 HA MET A 151 -4.352 -2.670 -2.806 1.00 0.00 H new ATOM 0 HB2 MET A 151 -3.509 -0.077 -4.158 1.00 0.00 H new ATOM 0 HB3 MET A 151 -4.556 -0.177 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 151 -1.658 -1.082 -2.893 1.00 0.00 H new ATOM 0 HG3 MET A 151 -2.251 0.369 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.205 -0.919 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 151 -3.963 0.388 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 151 -5.064 -0.960 -0.606 1.00 0.00 H new ATOM 547 N LYS A 152 -5.330 -1.859 -5.818 1.00 0.00 N ATOM 548 CA LYS A 152 -6.491 -1.767 -6.696 1.00 0.00 C ATOM 549 C LYS A 152 -7.216 -3.107 -6.786 1.00 0.00 C ATOM 550 O LYS A 152 -8.445 -3.155 -6.830 1.00 0.00 O ATOM 551 CB LYS A 152 -6.069 -1.301 -8.091 1.00 0.00 C ATOM 552 CG LYS A 152 -5.629 0.153 -8.136 1.00 0.00 C ATOM 553 CD LYS A 152 -5.123 0.541 -9.517 1.00 0.00 C ATOM 554 CE LYS A 152 -4.627 1.978 -9.544 1.00 0.00 C ATOM 555 NZ LYS A 152 -5.691 2.942 -9.148 1.00 0.00 N ATOM 0 H LYS A 152 -4.432 -1.818 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.178 -1.035 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -5.253 -1.931 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -6.902 -1.442 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -6.465 0.796 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.843 0.319 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.316 -0.129 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -5.923 0.417 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -3.776 2.081 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -4.272 2.221 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -5.383 3.910 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -6.565 2.727 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -5.869 2.863 -8.126 1.00 0.00 H new ATOM 569 N GLU A 153 -6.448 -4.193 -6.815 1.00 0.00 N ATOM 570 CA GLU A 153 -7.023 -5.531 -6.899 1.00 0.00 C ATOM 571 C GLU A 153 -7.727 -5.902 -5.596 1.00 0.00 C ATOM 572 O GLU A 153 -8.763 -6.567 -5.607 1.00 0.00 O ATOM 573 CB GLU A 153 -5.936 -6.560 -7.218 1.00 0.00 C ATOM 574 CG GLU A 153 -5.280 -6.350 -8.572 1.00 0.00 C ATOM 575 CD GLU A 153 -4.292 -7.448 -8.917 1.00 0.00 C ATOM 576 OE1 GLU A 153 -3.112 -7.331 -8.524 1.00 0.00 O ATOM 577 OE2 GLU A 153 -4.699 -8.425 -9.580 1.00 0.00 O ATOM 0 H GLU A 153 -5.429 -4.172 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.759 -5.533 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.171 -6.520 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.372 -7.559 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -6.050 -6.304 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.766 -5.389 -8.578 1.00 0.00 H new ATOM 584 N PHE A 154 -7.154 -5.470 -4.477 1.00 0.00 N ATOM 585 CA PHE A 154 -7.726 -5.752 -3.164 1.00 0.00 C ATOM 586 C PHE A 154 -8.926 -4.850 -2.889 1.00 0.00 C ATOM 587 O PHE A 154 -9.847 -5.227 -2.165 1.00 0.00 O ATOM 588 CB PHE A 154 -6.668 -5.566 -2.073 1.00 0.00 C ATOM 589 CG PHE A 154 -7.182 -5.806 -0.683 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.350 -7.096 -0.205 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.497 -4.742 0.147 1.00 0.00 C ATOM 592 CE1 PHE A 154 -7.822 -7.319 1.075 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.969 -4.958 1.427 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.132 -6.249 1.892 1.00 0.00 C ATOM 0 H PHE A 154 -6.293 -4.923 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 154 -8.065 -6.788 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.838 -6.245 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.271 -4.553 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.110 -7.936 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.372 -3.731 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -7.948 -8.329 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -8.210 -4.119 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.501 -6.421 2.892 1.00 0.00 H new ATOM 604 N LYS A 155 -8.905 -3.657 -3.474 1.00 0.00 N ATOM 605 CA LYS A 155 -9.985 -2.695 -3.293 1.00 0.00 C ATOM 606 C LYS A 155 -11.197 -3.070 -4.141 1.00 0.00 C ATOM 607 O LYS A 155 -12.339 -2.840 -3.743 1.00 0.00 O ATOM 608 CB LYS A 155 -9.504 -1.289 -3.656 1.00 0.00 C ATOM 609 CG LYS A 155 -10.534 -0.203 -3.397 1.00 0.00 C ATOM 610 CD LYS A 155 -9.989 1.169 -3.744 1.00 0.00 C ATOM 611 CE LYS A 155 -11.054 2.244 -3.615 1.00 0.00 C ATOM 612 NZ LYS A 155 -10.525 3.593 -3.961 1.00 0.00 N ATOM 0 H LYS A 155 -8.150 -3.333 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.283 -2.710 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.602 -1.065 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.227 -1.271 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -11.429 -0.400 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -10.831 -0.224 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -9.152 1.405 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -9.602 1.160 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -11.893 2.004 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -11.437 2.255 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -11.282 4.299 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.741 3.833 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -10.182 3.590 -4.943 1.00 0.00 H new ATOM 626 N SER A 156 -10.939 -3.650 -5.309 1.00 0.00 N ATOM 627 CA SER A 156 -12.008 -4.058 -6.216 1.00 0.00 C ATOM 628 C SER A 156 -12.470 -5.478 -5.907 1.00 0.00 C ATOM 629 O SER A 156 -13.219 -6.080 -6.678 1.00 0.00 O ATOM 630 CB SER A 156 -11.533 -3.968 -7.667 1.00 0.00 C ATOM 631 OG SER A 156 -12.577 -4.296 -8.569 1.00 0.00 O ATOM 0 H SER A 156 -9.999 -3.848 -5.650 1.00 0.00 H new ATOM 0 HA SER A 156 -12.851 -3.382 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 156 -11.174 -2.960 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 156 -10.691 -4.643 -7.820 1.00 0.00 H new ATOM 0 HG SER A 156 -13.112 -5.029 -8.198 1.00 0.00 H new ATOM 637 N GLN A 157 -12.021 -6.005 -4.771 1.00 0.00 N ATOM 638 CA GLN A 157 -12.379 -7.357 -4.350 1.00 0.00 C ATOM 639 C GLN A 157 -11.946 -8.389 -5.388 1.00 0.00 C ATOM 640 O GLN A 157 -12.677 -8.678 -6.336 1.00 0.00 O ATOM 641 CB GLN A 157 -13.887 -7.463 -4.105 1.00 0.00 C ATOM 642 CG GLN A 157 -14.382 -6.594 -2.961 1.00 0.00 C ATOM 643 CD GLN A 157 -15.873 -6.731 -2.732 1.00 0.00 C ATOM 644 OE1 GLN A 157 -16.459 -7.784 -2.985 1.00 0.00 O ATOM 645 NE2 GLN A 157 -16.500 -5.664 -2.249 1.00 0.00 N ATOM 0 H GLN A 157 -11.406 -5.514 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.853 -7.565 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.415 -7.183 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.140 -8.502 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.851 -6.864 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.144 -5.551 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.977 -4.811 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.504 -5.698 -2.074 1.00 0.00 H new ATOM 654 N SER A 158 -10.749 -8.937 -5.202 1.00 0.00 N ATOM 655 CA SER A 158 -10.214 -9.939 -6.118 1.00 0.00 C ATOM 656 C SER A 158 -9.347 -10.947 -5.371 1.00 0.00 C ATOM 657 O SER A 158 -9.247 -12.108 -5.765 1.00 0.00 O ATOM 658 CB SER A 158 -9.398 -9.268 -7.225 1.00 0.00 C ATOM 659 OG SER A 158 -10.201 -8.379 -7.983 1.00 0.00 O ATOM 0 H SER A 158 -10.131 -8.704 -4.425 1.00 0.00 H new ATOM 0 HA SER A 158 -11.053 -10.469 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 158 -8.562 -8.723 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.974 -10.029 -7.880 1.00 0.00 H new ATOM 0 HG SER A 158 -9.656 -7.962 -8.683 1.00 0.00 H new ATOM 665 N ILE A 159 -8.724 -10.492 -4.287 1.00 0.00 N ATOM 666 CA ILE A 159 -7.867 -11.351 -3.481 1.00 0.00 C ATOM 667 C ILE A 159 -8.322 -11.367 -2.026 1.00 0.00 C ATOM 668 O ILE A 159 -9.281 -10.688 -1.658 1.00 0.00 O ATOM 669 CB ILE A 159 -6.395 -10.897 -3.543 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.259 -9.458 -3.036 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.864 -11.017 -4.964 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.824 -8.996 -2.897 1.00 0.00 C ATOM 0 H ILE A 159 -8.798 -9.533 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.945 -12.356 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.802 -11.546 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.782 -8.790 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.754 -9.375 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.824 -10.693 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.930 -12.055 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.458 -10.389 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.806 -7.968 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.301 -9.640 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.330 -9.046 -3.867 1.00 0.00 H new ATOM 684 N ASP A 160 -7.629 -12.145 -1.202 1.00 0.00 N ATOM 685 CA ASP A 160 -7.962 -12.247 0.215 1.00 0.00 C ATOM 686 C ASP A 160 -7.042 -11.362 1.050 1.00 0.00 C ATOM 687 O ASP A 160 -6.090 -10.779 0.532 1.00 0.00 O ATOM 688 CB ASP A 160 -7.857 -13.699 0.682 1.00 0.00 C ATOM 689 CG ASP A 160 -8.762 -14.626 -0.107 1.00 0.00 C ATOM 690 OD1 ASP A 160 -8.312 -15.152 -1.146 1.00 0.00 O ATOM 691 OD2 ASP A 160 -9.919 -14.827 0.317 1.00 0.00 O ATOM 0 H ASP A 160 -6.833 -12.714 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 160 -8.988 -11.905 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -6.825 -14.035 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.114 -13.757 1.740 1.00 0.00 H new ATOM 696 N THR A 161 -7.332 -11.267 2.345 1.00 0.00 N ATOM 697 CA THR A 161 -6.527 -10.454 3.247 1.00 0.00 C ATOM 698 C THR A 161 -5.079 -10.954 3.304 1.00 0.00 C ATOM 699 O THR A 161 -4.146 -10.166 3.140 1.00 0.00 O ATOM 700 CB THR A 161 -7.121 -10.424 4.671 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.534 -10.196 4.607 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.470 -9.333 5.507 1.00 0.00 C ATOM 0 H THR A 161 -8.117 -11.742 2.791 1.00 0.00 H new ATOM 0 HA THR A 161 -6.535 -9.440 2.847 1.00 0.00 H new ATOM 0 HB THR A 161 -6.926 -11.388 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.904 -10.180 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.905 -9.332 6.506 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.398 -9.520 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.639 -8.364 5.036 1.00 0.00 H new ATOM 710 N PRO A 162 -4.859 -12.269 3.535 1.00 0.00 N ATOM 711 CA PRO A 162 -3.504 -12.833 3.595 1.00 0.00 C ATOM 712 C PRO A 162 -2.725 -12.578 2.310 1.00 0.00 C ATOM 713 O PRO A 162 -1.500 -12.450 2.327 1.00 0.00 O ATOM 714 CB PRO A 162 -3.742 -14.335 3.784 1.00 0.00 C ATOM 715 CG PRO A 162 -5.112 -14.435 4.358 1.00 0.00 C ATOM 716 CD PRO A 162 -5.890 -13.303 3.755 1.00 0.00 C ATOM 0 HA PRO A 162 -2.911 -12.384 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.670 -14.869 2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.000 -14.772 4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.568 -15.395 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.087 -14.358 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.372 -13.597 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.676 -12.953 4.424 1.00 0.00 H new ATOM 724 N GLY A 163 -3.448 -12.503 1.196 1.00 0.00 N ATOM 725 CA GLY A 163 -2.816 -12.261 -0.086 1.00 0.00 C ATOM 726 C GLY A 163 -2.176 -10.890 -0.166 1.00 0.00 C ATOM 727 O GLY A 163 -0.967 -10.777 -0.361 1.00 0.00 O ATOM 0 H GLY A 163 -4.462 -12.606 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.058 -13.024 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.558 -12.359 -0.878 1.00 0.00 H new ATOM 731 N VAL A 164 -2.987 -9.848 -0.011 1.00 0.00 N ATOM 732 CA VAL A 164 -2.489 -8.478 -0.070 1.00 0.00 C ATOM 733 C VAL A 164 -1.393 -8.247 0.967 1.00 0.00 C ATOM 734 O VAL A 164 -0.431 -7.525 0.713 1.00 0.00 O ATOM 735 CB VAL A 164 -3.621 -7.451 0.142 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.268 -7.628 1.507 1.00 0.00 C ATOM 737 CG2 VAL A 164 -3.096 -6.034 -0.026 1.00 0.00 C ATOM 0 H VAL A 164 -3.990 -9.926 0.156 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.074 -8.336 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.384 -7.626 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -5.062 -6.892 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.687 -8.631 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.518 -7.488 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.909 -5.324 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.309 -5.848 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.693 -5.912 -1.031 1.00 0.00 H new ATOM 747 N ILE A 165 -1.543 -8.866 2.135 1.00 0.00 N ATOM 748 CA ILE A 165 -0.557 -8.726 3.201 1.00 0.00 C ATOM 749 C ILE A 165 0.777 -9.347 2.794 1.00 0.00 C ATOM 750 O ILE A 165 1.841 -8.805 3.093 1.00 0.00 O ATOM 751 CB ILE A 165 -1.047 -9.380 4.510 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.274 -8.638 5.046 1.00 0.00 C ATOM 753 CG2 ILE A 165 0.066 -9.395 5.552 1.00 0.00 C ATOM 754 CD1 ILE A 165 -2.917 -9.307 6.243 1.00 0.00 C ATOM 0 H ILE A 165 -2.334 -9.467 2.366 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.419 -7.658 3.373 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.329 -10.411 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -1.983 -7.624 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -3.012 -8.553 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.299 -9.860 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.914 -9.963 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.380 -8.373 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.779 -8.724 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.240 -10.311 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.195 -9.368 7.057 1.00 0.00 H new ATOM 766 N SER A 166 0.712 -10.485 2.107 1.00 0.00 N ATOM 767 CA SER A 166 1.917 -11.178 1.661 1.00 0.00 C ATOM 768 C SER A 166 2.595 -10.422 0.522 1.00 0.00 C ATOM 769 O SER A 166 3.823 -10.343 0.462 1.00 0.00 O ATOM 770 CB SER A 166 1.574 -12.601 1.213 1.00 0.00 C ATOM 771 OG SER A 166 2.742 -13.314 0.845 1.00 0.00 O ATOM 0 H SER A 166 -0.160 -10.946 1.848 1.00 0.00 H new ATOM 0 HA SER A 166 2.610 -11.224 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.062 -13.126 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.885 -12.564 0.369 1.00 0.00 H new ATOM 0 HG SER A 166 2.560 -14.277 0.874 1.00 0.00 H new ATOM 777 N ARG A 167 1.789 -9.869 -0.379 1.00 0.00 N ATOM 778 CA ARG A 167 2.312 -9.118 -1.516 1.00 0.00 C ATOM 779 C ARG A 167 3.048 -7.863 -1.054 1.00 0.00 C ATOM 780 O ARG A 167 4.124 -7.542 -1.561 1.00 0.00 O ATOM 781 CB ARG A 167 1.175 -8.731 -2.468 1.00 0.00 C ATOM 782 CG ARG A 167 0.981 -9.698 -3.628 1.00 0.00 C ATOM 783 CD ARG A 167 0.431 -11.039 -3.167 1.00 0.00 C ATOM 784 NE ARG A 167 1.460 -11.873 -2.551 1.00 0.00 N ATOM 785 CZ ARG A 167 1.311 -13.172 -2.310 1.00 0.00 C ATOM 786 NH1 ARG A 167 0.172 -13.780 -2.615 1.00 0.00 N ATOM 787 NH2 ARG A 167 2.299 -13.864 -1.762 1.00 0.00 N ATOM 0 H ARG A 167 0.771 -9.927 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 167 3.019 -9.759 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.246 -8.669 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.372 -7.736 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 167 0.300 -9.258 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 167 1.934 -9.852 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -0.376 -10.873 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.000 -11.566 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 167 2.343 -11.434 -2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -0.592 -13.251 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 167 0.060 -14.777 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 167 3.176 -13.400 -1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 167 2.183 -14.860 -1.578 1.00 0.00 H new ATOM 801 N VAL A 168 2.464 -7.157 -0.091 1.00 0.00 N ATOM 802 CA VAL A 168 3.063 -5.934 0.434 1.00 0.00 C ATOM 803 C VAL A 168 4.283 -6.242 1.298 1.00 0.00 C ATOM 804 O VAL A 168 5.289 -5.536 1.240 1.00 0.00 O ATOM 805 CB VAL A 168 2.046 -5.120 1.260 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.701 -3.882 1.857 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.852 -4.732 0.401 1.00 0.00 C ATOM 0 H VAL A 168 1.576 -7.411 0.342 1.00 0.00 H new ATOM 0 HA VAL A 168 3.376 -5.341 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 168 1.693 -5.746 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 168 1.965 -3.324 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.522 -4.183 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.086 -3.252 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.144 -4.158 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.190 -4.127 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.365 -5.633 0.027 1.00 0.00 H new ATOM 817 N SER A 169 4.187 -7.299 2.100 1.00 0.00 N ATOM 818 CA SER A 169 5.286 -7.696 2.975 1.00 0.00 C ATOM 819 C SER A 169 6.515 -8.090 2.161 1.00 0.00 C ATOM 820 O SER A 169 7.648 -7.821 2.559 1.00 0.00 O ATOM 821 CB SER A 169 4.861 -8.859 3.872 1.00 0.00 C ATOM 822 OG SER A 169 4.505 -9.994 3.102 1.00 0.00 O ATOM 0 H SER A 169 3.361 -7.895 2.162 1.00 0.00 H new ATOM 0 HA SER A 169 5.544 -6.841 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 169 5.675 -9.116 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.016 -8.556 4.490 1.00 0.00 H new ATOM 0 HG SER A 169 4.372 -9.727 2.168 1.00 0.00 H new ATOM 828 N GLN A 170 6.281 -8.731 1.020 1.00 0.00 N ATOM 829 CA GLN A 170 7.369 -9.165 0.149 1.00 0.00 C ATOM 830 C GLN A 170 7.876 -8.009 -0.711 1.00 0.00 C ATOM 831 O GLN A 170 9.060 -7.944 -1.040 1.00 0.00 O ATOM 832 CB GLN A 170 6.901 -10.315 -0.747 1.00 0.00 C ATOM 833 CG GLN A 170 7.987 -10.847 -1.669 1.00 0.00 C ATOM 834 CD GLN A 170 7.488 -11.947 -2.584 1.00 0.00 C ATOM 835 OE1 GLN A 170 7.021 -11.685 -3.692 1.00 0.00 O ATOM 836 NE2 GLN A 170 7.585 -13.189 -2.123 1.00 0.00 N ATOM 0 H GLN A 170 5.349 -8.961 0.677 1.00 0.00 H new ATOM 0 HA GLN A 170 8.189 -9.511 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.537 -11.129 -0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 170 6.058 -9.976 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 170 8.380 -10.028 -2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 170 8.814 -11.226 -1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 170 7.979 -13.360 -1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 170 7.266 -13.971 -2.694 1.00 0.00 H new ATOM 845 N LEU A 171 6.972 -7.103 -1.068 1.00 0.00 N ATOM 846 CA LEU A 171 7.327 -5.952 -1.891 1.00 0.00 C ATOM 847 C LEU A 171 8.312 -5.044 -1.163 1.00 0.00 C ATOM 848 O LEU A 171 9.297 -4.587 -1.744 1.00 0.00 O ATOM 849 CB LEU A 171 6.071 -5.163 -2.269 1.00 0.00 C ATOM 850 CG LEU A 171 6.314 -3.924 -3.136 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.831 -4.327 -4.509 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.037 -3.107 -3.266 1.00 0.00 C ATOM 0 H LEU A 171 5.988 -7.143 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 171 7.805 -6.320 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.389 -5.829 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.567 -4.853 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 171 7.070 -3.307 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.998 -3.434 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.769 -4.871 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 171 6.097 -4.965 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.227 -2.230 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.261 -3.716 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.707 -2.788 -2.277 1.00 0.00 H new ATOM 864 N PHE A 172 8.038 -4.785 0.112 1.00 0.00 N ATOM 865 CA PHE A 172 8.900 -3.932 0.921 1.00 0.00 C ATOM 866 C PHE A 172 9.872 -4.767 1.747 1.00 0.00 C ATOM 867 O PHE A 172 10.236 -4.392 2.863 1.00 0.00 O ATOM 868 CB PHE A 172 8.055 -3.043 1.837 1.00 0.00 C ATOM 869 CG PHE A 172 7.134 -2.120 1.091 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.643 -1.123 0.274 1.00 0.00 C ATOM 871 CD2 PHE A 172 5.759 -2.252 1.205 1.00 0.00 C ATOM 872 CE1 PHE A 172 6.798 -0.275 -0.414 1.00 0.00 C ATOM 873 CE2 PHE A 172 4.909 -1.406 0.518 1.00 0.00 C ATOM 874 CZ PHE A 172 5.430 -0.415 -0.293 1.00 0.00 C ATOM 0 H PHE A 172 7.226 -5.154 0.607 1.00 0.00 H new ATOM 0 HA PHE A 172 9.480 -3.299 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.464 -3.675 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 172 8.718 -2.451 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 172 8.712 -1.008 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.347 -3.024 1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.208 0.498 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 172 3.839 -1.519 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 172 4.768 0.248 -0.831 1.00 0.00 H new ATOM 884 N LYS A 173 10.292 -5.900 1.190 1.00 0.00 N ATOM 885 CA LYS A 173 11.227 -6.788 1.871 1.00 0.00 C ATOM 886 C LYS A 173 12.526 -6.058 2.200 1.00 0.00 C ATOM 887 O LYS A 173 13.346 -5.802 1.317 1.00 0.00 O ATOM 888 CB LYS A 173 11.523 -8.014 1.003 1.00 0.00 C ATOM 889 CG LYS A 173 12.446 -9.022 1.668 1.00 0.00 C ATOM 890 CD LYS A 173 12.716 -10.211 0.761 1.00 0.00 C ATOM 891 CE LYS A 173 13.565 -11.261 1.457 1.00 0.00 C ATOM 892 NZ LYS A 173 14.901 -10.728 1.846 1.00 0.00 N ATOM 0 H LYS A 173 9.999 -6.224 0.268 1.00 0.00 H new ATOM 0 HA LYS A 173 10.767 -7.115 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 173 10.583 -8.506 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 173 11.972 -7.685 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.388 -8.539 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 173 11.998 -9.368 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 173 11.770 -10.654 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 173 13.223 -9.873 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 173 13.044 -11.618 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 173 13.695 -12.119 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 15.509 -11.511 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 15.339 -10.258 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 14.789 -10.043 2.620 1.00 0.00 H new ATOM 906 N GLY A 174 12.702 -5.721 3.474 1.00 0.00 N ATOM 907 CA GLY A 174 13.900 -5.019 3.899 1.00 0.00 C ATOM 908 C GLY A 174 13.584 -3.789 4.728 1.00 0.00 C ATOM 909 O GLY A 174 14.351 -3.415 5.615 1.00 0.00 O ATOM 0 H GLY A 174 12.036 -5.922 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.527 -5.695 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.476 -4.725 3.022 1.00 0.00 H new ATOM 913 N HIS A 175 12.451 -3.160 4.434 1.00 0.00 N ATOM 914 CA HIS A 175 12.028 -1.964 5.155 1.00 0.00 C ATOM 915 C HIS A 175 10.899 -2.288 6.134 1.00 0.00 C ATOM 916 O HIS A 175 9.736 -2.373 5.739 1.00 0.00 O ATOM 917 CB HIS A 175 11.568 -0.887 4.172 1.00 0.00 C ATOM 918 CG HIS A 175 12.671 -0.343 3.318 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.135 0.952 3.425 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.400 -0.924 2.337 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.101 1.144 2.543 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.281 0.022 1.873 1.00 0.00 N ATOM 0 H HIS A 175 11.808 -3.459 3.701 1.00 0.00 H new ATOM 0 HA HIS A 175 12.882 -1.591 5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.793 -1.302 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.114 -0.068 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 175 13.307 -1.941 1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.649 2.063 2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.965 -0.120 1.130 1.00 0.00 H new ATOM 931 N PRO A 176 11.225 -2.479 7.427 1.00 0.00 N ATOM 932 CA PRO A 176 10.224 -2.793 8.452 1.00 0.00 C ATOM 933 C PRO A 176 9.347 -1.591 8.791 1.00 0.00 C ATOM 934 O PRO A 176 8.396 -1.704 9.563 1.00 0.00 O ATOM 935 CB PRO A 176 11.068 -3.195 9.661 1.00 0.00 C ATOM 936 CG PRO A 176 12.361 -2.480 9.475 1.00 0.00 C ATOM 937 CD PRO A 176 12.588 -2.409 7.991 1.00 0.00 C ATOM 0 HA PRO A 176 9.532 -3.568 8.122 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.586 -2.905 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 176 11.215 -4.274 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.321 -1.482 9.911 1.00 0.00 H new ATOM 0 HG3 PRO A 176 13.175 -3.011 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 176 13.093 -1.486 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.210 -3.233 7.641 1.00 0.00 H new ATOM 945 N ASP A 177 9.675 -0.442 8.208 1.00 0.00 N ATOM 946 CA ASP A 177 8.916 0.781 8.448 1.00 0.00 C ATOM 947 C ASP A 177 7.605 0.769 7.668 1.00 0.00 C ATOM 948 O ASP A 177 6.536 1.006 8.231 1.00 0.00 O ATOM 949 CB ASP A 177 9.744 2.006 8.059 1.00 0.00 C ATOM 950 CG ASP A 177 9.039 3.308 8.389 1.00 0.00 C ATOM 951 OD1 ASP A 177 8.234 3.775 7.558 1.00 0.00 O ATOM 952 OD2 ASP A 177 9.293 3.858 9.482 1.00 0.00 O ATOM 0 H ASP A 177 10.460 -0.332 7.567 1.00 0.00 H new ATOM 0 HA ASP A 177 8.685 0.832 9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.702 1.973 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.958 1.972 6.991 1.00 0.00 H new ATOM 957 N LEU A 178 7.695 0.495 6.369 1.00 0.00 N ATOM 958 CA LEU A 178 6.517 0.453 5.513 1.00 0.00 C ATOM 959 C LEU A 178 5.561 -0.647 5.961 1.00 0.00 C ATOM 960 O LEU A 178 4.352 -0.432 6.049 1.00 0.00 O ATOM 961 CB LEU A 178 6.926 0.227 4.054 1.00 0.00 C ATOM 962 CG LEU A 178 7.501 1.449 3.329 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.478 2.574 3.277 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.786 1.925 3.995 1.00 0.00 C ATOM 0 H LEU A 178 8.573 0.299 5.888 1.00 0.00 H new ATOM 0 HA LEU A 178 6.005 1.412 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.666 -0.573 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 178 6.054 -0.124 3.501 1.00 0.00 H new ATOM 0 HG LEU A 178 7.739 1.152 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.906 3.432 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.590 2.234 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 178 6.204 2.863 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 178 9.173 2.793 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.580 2.198 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.526 1.125 3.971 1.00 0.00 H new ATOM 976 N ILE A 179 6.111 -1.826 6.241 1.00 0.00 N ATOM 977 CA ILE A 179 5.309 -2.960 6.682 1.00 0.00 C ATOM 978 C ILE A 179 4.464 -2.591 7.899 1.00 0.00 C ATOM 979 O ILE A 179 3.267 -2.876 7.947 1.00 0.00 O ATOM 980 CB ILE A 179 6.196 -4.174 7.028 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.087 -4.535 5.835 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.334 -5.362 7.431 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.067 -5.653 6.122 1.00 0.00 C ATOM 0 H ILE A 179 7.110 -2.019 6.170 1.00 0.00 H new ATOM 0 HA ILE A 179 4.651 -3.228 5.855 1.00 0.00 H new ATOM 0 HB ILE A 179 6.835 -3.912 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.455 -4.825 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.641 -3.649 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.974 -6.211 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.736 -5.099 8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.673 -5.629 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.663 -5.852 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.725 -5.359 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.520 -6.553 6.402 1.00 0.00 H new ATOM 995 N MET A 180 5.097 -1.953 8.881 1.00 0.00 N ATOM 996 CA MET A 180 4.402 -1.539 10.095 1.00 0.00 C ATOM 997 C MET A 180 3.328 -0.504 9.774 1.00 0.00 C ATOM 998 O MET A 180 2.236 -0.530 10.343 1.00 0.00 O ATOM 999 CB MET A 180 5.395 -0.966 11.109 1.00 0.00 C ATOM 1000 CG MET A 180 4.755 -0.558 12.426 1.00 0.00 C ATOM 1001 SD MET A 180 3.905 -1.925 13.238 1.00 0.00 S ATOM 1002 CE MET A 180 3.324 -1.124 14.731 1.00 0.00 C ATOM 0 H MET A 180 6.088 -1.712 8.859 1.00 0.00 H new ATOM 0 HA MET A 180 3.922 -2.416 10.528 1.00 0.00 H new ATOM 0 HB2 MET A 180 6.169 -1.708 11.306 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.889 -0.099 10.671 1.00 0.00 H new ATOM 0 HG2 MET A 180 5.523 -0.166 13.093 1.00 0.00 H new ATOM 0 HG3 MET A 180 4.046 0.250 12.246 1.00 0.00 H new ATOM 0 HE1 MET A 180 2.777 -1.843 15.340 1.00 0.00 H new ATOM 0 HE2 MET A 180 4.176 -0.744 15.295 1.00 0.00 H new ATOM 0 HE3 MET A 180 2.665 -0.297 14.467 1.00 0.00 H new ATOM 1012 N GLY A 181 3.648 0.408 8.859 1.00 0.00 N ATOM 1013 CA GLY A 181 2.700 1.437 8.474 1.00 0.00 C ATOM 1014 C GLY A 181 1.514 0.872 7.715 1.00 0.00 C ATOM 1015 O GLY A 181 0.438 1.468 7.699 1.00 0.00 O ATOM 0 H GLY A 181 4.547 0.452 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.345 1.953 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.204 2.179 7.855 1.00 0.00 H new ATOM 1019 N PHE A 182 1.718 -0.280 7.083 1.00 0.00 N ATOM 1020 CA PHE A 182 0.658 -0.932 6.321 1.00 0.00 C ATOM 1021 C PHE A 182 -0.289 -1.682 7.251 1.00 0.00 C ATOM 1022 O PHE A 182 -1.505 -1.668 7.059 1.00 0.00 O ATOM 1023 CB PHE A 182 1.259 -1.896 5.295 1.00 0.00 C ATOM 1024 CG PHE A 182 0.230 -2.630 4.482 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.421 -2.002 3.431 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.086 -3.948 4.769 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.367 -2.675 2.683 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.032 -4.627 4.024 1.00 0.00 C ATOM 1029 CZ PHE A 182 -1.673 -3.989 2.980 1.00 0.00 C ATOM 0 H PHE A 182 2.607 -0.781 7.083 1.00 0.00 H new ATOM 0 HA PHE A 182 0.091 -0.164 5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.910 -1.338 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.885 -2.622 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.186 -0.975 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.413 -4.451 5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -1.867 -2.175 1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.269 -5.654 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.413 -4.517 2.396 1.00 0.00 H new ATOM 1039 N ASN A 183 0.280 -2.339 8.258 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.508 -3.094 9.227 1.00 0.00 C ATOM 1041 C ASN A 183 -1.550 -2.201 9.893 1.00 0.00 C ATOM 1042 O ASN A 183 -2.604 -2.671 10.322 1.00 0.00 O ATOM 1043 CB ASN A 183 0.407 -3.711 10.287 1.00 0.00 C ATOM 1044 CG ASN A 183 1.344 -4.756 9.710 1.00 0.00 C ATOM 1045 OD1 ASN A 183 2.477 -4.909 10.166 1.00 0.00 O ATOM 1046 ND2 ASN A 183 0.874 -5.484 8.704 1.00 0.00 N ATOM 0 H ASN A 183 1.286 -2.364 8.424 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.027 -3.892 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 183 0.994 -2.923 10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -0.202 -4.166 11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 183 1.459 -6.203 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -0.072 -5.324 8.357 1.00 0.00 H new ATOM 1053 N THR A 184 -1.249 -0.908 9.971 1.00 0.00 N ATOM 1054 CA THR A 184 -2.158 0.056 10.577 1.00 0.00 C ATOM 1055 C THR A 184 -3.023 0.727 9.514 1.00 0.00 C ATOM 1056 O THR A 184 -4.067 1.303 9.821 1.00 0.00 O ATOM 1057 CB THR A 184 -1.392 1.142 11.355 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.565 1.896 10.460 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.530 0.521 12.444 1.00 0.00 C ATOM 0 H THR A 184 -0.380 -0.504 9.621 1.00 0.00 H new ATOM 0 HA THR A 184 -2.792 -0.496 11.271 1.00 0.00 H new ATOM 0 HB THR A 184 -2.121 1.804 11.822 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.487 1.420 9.607 1.00 0.00 H new ATOM 0 HG21 THR A 184 0.002 1.307 12.980 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.163 -0.029 13.140 1.00 0.00 H new ATOM 0 HG23 THR A 184 0.190 -0.161 11.993 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.576 0.648 8.265 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.303 1.244 7.150 1.00 0.00 C ATOM 1069 C PHE A 185 -4.636 0.537 6.928 1.00 0.00 C ATOM 1070 O PHE A 185 -5.579 1.122 6.394 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.456 1.180 5.876 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.088 1.860 4.694 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.036 3.237 4.560 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.734 1.119 3.717 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.616 3.865 3.474 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.316 1.741 2.629 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.256 3.116 2.507 1.00 0.00 C ATOM 0 H PHE A 185 -1.712 0.176 7.999 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.506 2.287 7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.487 1.638 6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.270 0.135 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.536 3.828 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.783 0.044 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.569 4.940 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.817 1.153 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.709 3.604 1.657 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.708 -0.724 7.344 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.926 -1.514 7.192 1.00 0.00 C ATOM 1089 C LEU A 186 -7.098 -0.855 7.923 1.00 0.00 C ATOM 1090 O LEU A 186 -6.898 -0.140 8.905 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.709 -2.931 7.729 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.555 -3.705 7.085 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.403 -5.073 7.734 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.774 -3.848 5.586 1.00 0.00 C ATOM 0 H LEU A 186 -3.937 -1.221 7.789 1.00 0.00 H new ATOM 0 HA LEU A 186 -6.166 -1.567 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.530 -2.872 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.629 -3.499 7.590 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.635 -3.143 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.578 -5.609 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.197 -4.950 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -5.325 -5.641 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -3.943 -4.401 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.704 -4.386 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -4.832 -2.859 5.131 1.00 0.00 H new