USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 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= -0.11 USER MOD Set 1.2: A 140 GLN : amide:sc= -0.937 K(o=-1,f=-3) USER MOD Set 2.1: A 134 LYS NZ :NH3+ -114:sc= -1.03 (180deg=-3.59!) USER MOD Set 2.2: A 144 TYR OH : rot 180:sc= 0.212 USER MOD Single : A 128 SER OG : rot 180:sc= -0.0779 USER MOD Single : A 129 TYR OH : rot 22:sc= -0.689 USER MOD Single : A 132 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.074) USER MOD Single : A 136 GLN : amide:sc= -2.84! C(o=-2.8!,f=-2!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 151 MET CE :methyl -175:sc= 0 (180deg=-0.0107) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.052) 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 -24:sc= 0.858 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -1.57 K(o=-1.6,f=-3!) USER MOD Single : A 173 LYS NZ :NH3+ -163:sc= -0.0271 (180deg=-0.312) USER MOD Single : A 175 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=0) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -6.388 8.633 5.190 1.00 0.00 N ATOM 129 CA ALA A 126 -5.939 7.773 4.101 1.00 0.00 C ATOM 130 C ALA A 126 -4.671 8.318 3.461 1.00 0.00 C ATOM 131 O ALA A 126 -3.733 7.570 3.181 1.00 0.00 O ATOM 132 CB ALA A 126 -7.032 7.629 3.052 1.00 0.00 C ATOM 0 HA ALA A 126 -5.717 6.791 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.681 6.984 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.919 7.189 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.281 8.611 2.649 1.00 0.00 H new ATOM 138 N LEU A 127 -4.650 9.624 3.232 1.00 0.00 N ATOM 139 CA LEU A 127 -3.499 10.271 2.621 1.00 0.00 C ATOM 140 C LEU A 127 -2.415 10.538 3.658 1.00 0.00 C ATOM 141 O LEU A 127 -2.402 11.585 4.304 1.00 0.00 O ATOM 142 CB LEU A 127 -3.916 11.580 1.949 1.00 0.00 C ATOM 143 CG LEU A 127 -3.107 11.954 0.707 1.00 0.00 C ATOM 144 CD1 LEU A 127 -3.298 10.911 -0.384 1.00 0.00 C ATOM 145 CD2 LEU A 127 -3.508 13.334 0.208 1.00 0.00 C ATOM 0 H LEU A 127 -5.418 10.256 3.461 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.095 9.599 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.968 11.510 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.831 12.387 2.676 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.051 11.981 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.716 11.192 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.962 9.939 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.353 10.854 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.923 13.585 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.568 13.335 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.321 14.072 0.988 1.00 0.00 H new ATOM 157 N SER A 128 -1.513 9.577 3.812 1.00 0.00 N ATOM 158 CA SER A 128 -0.420 9.694 4.768 1.00 0.00 C ATOM 159 C SER A 128 0.602 8.585 4.548 1.00 0.00 C ATOM 160 O SER A 128 1.804 8.839 4.467 1.00 0.00 O ATOM 161 CB SER A 128 -0.956 9.630 6.200 1.00 0.00 C ATOM 162 OG SER A 128 -1.661 8.422 6.427 1.00 0.00 O ATOM 0 H SER A 128 -1.517 8.704 3.284 1.00 0.00 H new ATOM 0 HA SER A 128 0.067 10.657 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.129 9.710 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.614 10.479 6.383 1.00 0.00 H new ATOM 0 HG SER A 128 -1.992 8.405 7.349 1.00 0.00 H new ATOM 168 N TYR A 129 0.110 7.355 4.450 1.00 0.00 N ATOM 169 CA TYR A 129 0.971 6.198 4.238 1.00 0.00 C ATOM 170 C TYR A 129 1.486 6.160 2.803 1.00 0.00 C ATOM 171 O TYR A 129 2.690 6.031 2.569 1.00 0.00 O ATOM 172 CB TYR A 129 0.209 4.910 4.555 1.00 0.00 C ATOM 173 CG TYR A 129 1.026 3.656 4.344 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.054 3.318 5.213 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.769 2.812 3.272 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.805 2.174 5.019 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.513 1.666 3.072 1.00 0.00 C ATOM 178 CZ TYR A 129 2.529 1.352 3.948 1.00 0.00 C ATOM 179 OH TYR A 129 3.275 0.213 3.750 1.00 0.00 O ATOM 0 H TYR A 129 -0.884 7.133 4.514 1.00 0.00 H new ATOM 0 HA TYR A 129 1.827 6.281 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.129 4.943 5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.683 4.862 3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.271 3.959 6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -0.026 3.056 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.603 1.926 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.300 1.019 2.234 1.00 0.00 H new ATOM 0 HH TYR A 129 3.694 -0.054 4.594 1.00 0.00 H new ATOM 189 N LEU A 130 0.568 6.272 1.846 1.00 0.00 N ATOM 190 CA LEU A 130 0.925 6.253 0.431 1.00 0.00 C ATOM 191 C LEU A 130 2.010 7.283 0.137 1.00 0.00 C ATOM 192 O LEU A 130 2.936 7.026 -0.636 1.00 0.00 O ATOM 193 CB LEU A 130 -0.310 6.529 -0.430 1.00 0.00 C ATOM 194 CG LEU A 130 -1.472 5.552 -0.233 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.686 5.999 -1.033 1.00 0.00 C ATOM 196 CD2 LEU A 130 -1.061 4.142 -0.635 1.00 0.00 C ATOM 0 H LEU A 130 -0.430 6.377 2.026 1.00 0.00 H new ATOM 0 HA LEU A 130 1.312 5.264 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.664 7.538 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -0.014 6.510 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.738 5.545 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.502 5.293 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.996 6.989 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -2.431 6.036 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.900 3.462 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.767 4.134 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -0.221 3.819 -0.021 1.00 0.00 H new ATOM 208 N ASP A 131 1.888 8.450 0.762 1.00 0.00 N ATOM 209 CA ASP A 131 2.858 9.522 0.579 1.00 0.00 C ATOM 210 C ASP A 131 4.243 9.068 1.028 1.00 0.00 C ATOM 211 O ASP A 131 5.246 9.357 0.374 1.00 0.00 O ATOM 212 CB ASP A 131 2.431 10.764 1.364 1.00 0.00 C ATOM 213 CG ASP A 131 3.334 11.953 1.101 1.00 0.00 C ATOM 214 OD1 ASP A 131 3.064 12.703 0.139 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.310 12.136 1.860 1.00 0.00 O ATOM 0 H ASP A 131 1.125 8.677 1.400 1.00 0.00 H new ATOM 0 HA ASP A 131 2.900 9.774 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.406 11.024 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.436 10.536 2.430 1.00 0.00 H new ATOM 220 N GLN A 132 4.289 8.353 2.148 1.00 0.00 N ATOM 221 CA GLN A 132 5.547 7.850 2.684 1.00 0.00 C ATOM 222 C GLN A 132 6.153 6.812 1.747 1.00 0.00 C ATOM 223 O GLN A 132 7.373 6.706 1.629 1.00 0.00 O ATOM 224 CB GLN A 132 5.331 7.245 4.073 1.00 0.00 C ATOM 225 CG GLN A 132 4.910 8.264 5.119 1.00 0.00 C ATOM 226 CD GLN A 132 4.573 7.626 6.452 1.00 0.00 C ATOM 227 OE1 GLN A 132 5.441 7.453 7.307 1.00 0.00 O ATOM 228 NE2 GLN A 132 3.306 7.273 6.635 1.00 0.00 N ATOM 0 H GLN A 132 3.468 8.109 2.702 1.00 0.00 H new ATOM 0 HA GLN A 132 6.241 8.686 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.570 6.467 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.253 6.762 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.713 8.988 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.043 8.816 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 132 2.620 7.436 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 132 3.019 6.839 7.512 1.00 0.00 H new ATOM 237 N VAL A 133 5.292 6.044 1.086 1.00 0.00 N ATOM 238 CA VAL A 133 5.745 5.022 0.149 1.00 0.00 C ATOM 239 C VAL A 133 6.404 5.663 -1.068 1.00 0.00 C ATOM 240 O VAL A 133 7.410 5.169 -1.575 1.00 0.00 O ATOM 241 CB VAL A 133 4.581 4.127 -0.326 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.080 3.071 -1.300 1.00 0.00 C ATOM 243 CG2 VAL A 133 3.886 3.479 0.860 1.00 0.00 C ATOM 0 H VAL A 133 4.279 6.110 1.182 1.00 0.00 H new ATOM 0 HA VAL A 133 6.469 4.403 0.679 1.00 0.00 H new ATOM 0 HB VAL A 133 3.856 4.754 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.244 2.450 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.527 3.558 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 133 5.827 2.447 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.068 2.852 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.600 2.866 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.490 4.253 1.517 1.00 0.00 H new ATOM 253 N LYS A 134 5.825 6.769 -1.529 1.00 0.00 N ATOM 254 CA LYS A 134 6.349 7.482 -2.689 1.00 0.00 C ATOM 255 C LYS A 134 7.662 8.186 -2.359 1.00 0.00 C ATOM 256 O LYS A 134 8.561 8.263 -3.197 1.00 0.00 O ATOM 257 CB LYS A 134 5.325 8.505 -3.187 1.00 0.00 C ATOM 258 CG LYS A 134 5.692 9.131 -4.523 1.00 0.00 C ATOM 259 CD LYS A 134 4.802 10.320 -4.860 1.00 0.00 C ATOM 260 CE LYS A 134 3.361 9.902 -5.117 1.00 0.00 C ATOM 261 NZ LYS A 134 2.621 9.626 -3.854 1.00 0.00 N ATOM 0 H LYS A 134 4.993 7.190 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 134 6.541 6.749 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.353 8.020 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.220 9.294 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 134 6.733 9.453 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.609 8.381 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.830 11.037 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.194 10.828 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 134 2.850 10.689 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.349 9.011 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 2.377 8.616 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 3.218 9.875 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.750 10.194 -3.831 1.00 0.00 H new ATOM 275 N LEU A 135 7.768 8.702 -1.137 1.00 0.00 N ATOM 276 CA LEU A 135 8.971 9.409 -0.707 1.00 0.00 C ATOM 277 C LEU A 135 10.146 8.454 -0.508 1.00 0.00 C ATOM 278 O LEU A 135 11.215 8.644 -1.087 1.00 0.00 O ATOM 279 CB LEU A 135 8.700 10.173 0.591 1.00 0.00 C ATOM 280 CG LEU A 135 7.718 11.339 0.469 1.00 0.00 C ATOM 281 CD1 LEU A 135 7.401 11.912 1.842 1.00 0.00 C ATOM 282 CD2 LEU A 135 8.281 12.421 -0.441 1.00 0.00 C ATOM 0 H LEU A 135 7.037 8.644 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 135 9.238 10.113 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.316 9.472 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 135 9.647 10.555 0.973 1.00 0.00 H new ATOM 0 HG LEU A 135 6.794 10.965 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.701 12.741 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.955 11.137 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.319 12.269 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.568 13.242 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 135 9.219 12.792 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 135 8.460 12.006 -1.433 1.00 0.00 H new ATOM 294 N GLN A 136 9.942 7.428 0.315 1.00 0.00 N ATOM 295 CA GLN A 136 10.991 6.454 0.595 1.00 0.00 C ATOM 296 C GLN A 136 11.361 5.656 -0.652 1.00 0.00 C ATOM 297 O GLN A 136 12.472 5.139 -0.759 1.00 0.00 O ATOM 298 CB GLN A 136 10.546 5.514 1.717 1.00 0.00 C ATOM 299 CG GLN A 136 10.378 6.217 3.054 1.00 0.00 C ATOM 300 CD GLN A 136 9.710 5.345 4.097 1.00 0.00 C ATOM 301 OE1 GLN A 136 10.373 4.610 4.829 1.00 0.00 O ATOM 302 NE2 GLN A 136 8.386 5.425 4.173 1.00 0.00 N ATOM 0 H GLN A 136 9.061 7.251 0.798 1.00 0.00 H new ATOM 0 HA GLN A 136 11.880 6.998 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 136 9.602 5.047 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.278 4.714 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 136 11.356 6.529 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 136 9.787 7.122 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.876 6.048 3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.880 4.864 4.858 1.00 0.00 H new ATOM 311 N PHE A 137 10.427 5.560 -1.593 1.00 0.00 N ATOM 312 CA PHE A 137 10.667 4.827 -2.833 1.00 0.00 C ATOM 313 C PHE A 137 10.423 5.719 -4.047 1.00 0.00 C ATOM 314 O PHE A 137 9.703 5.343 -4.974 1.00 0.00 O ATOM 315 CB PHE A 137 9.774 3.586 -2.902 1.00 0.00 C ATOM 316 CG PHE A 137 10.055 2.583 -1.819 1.00 0.00 C ATOM 317 CD1 PHE A 137 11.069 1.649 -1.968 1.00 0.00 C ATOM 318 CD2 PHE A 137 9.306 2.574 -0.652 1.00 0.00 C ATOM 319 CE1 PHE A 137 11.330 0.725 -0.974 1.00 0.00 C ATOM 320 CE2 PHE A 137 9.564 1.651 0.345 1.00 0.00 C ATOM 321 CZ PHE A 137 10.577 0.726 0.184 1.00 0.00 C ATOM 0 H PHE A 137 9.500 5.979 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 137 11.710 4.510 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 137 8.731 3.895 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 137 9.906 3.107 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 137 11.661 1.644 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 137 8.513 3.295 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 137 12.122 0.002 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 137 8.974 1.653 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 137 10.780 0.005 0.962 1.00 0.00 H new ATOM 331 N GLY A 138 11.034 6.901 -4.038 1.00 0.00 N ATOM 332 CA GLY A 138 10.874 7.830 -5.142 1.00 0.00 C ATOM 333 C GLY A 138 11.882 7.597 -6.251 1.00 0.00 C ATOM 334 O GLY A 138 11.659 7.997 -7.394 1.00 0.00 O ATOM 0 H GLY A 138 11.637 7.231 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.866 7.737 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.976 8.850 -4.771 1.00 0.00 H new ATOM 338 N SER A 139 12.994 6.951 -5.912 1.00 0.00 N ATOM 339 CA SER A 139 14.039 6.666 -6.888 1.00 0.00 C ATOM 340 C SER A 139 13.645 5.490 -7.777 1.00 0.00 C ATOM 341 O SER A 139 13.926 5.483 -8.976 1.00 0.00 O ATOM 342 CB SER A 139 15.360 6.368 -6.179 1.00 0.00 C ATOM 343 OG SER A 139 15.222 5.285 -5.276 1.00 0.00 O ATOM 0 H SER A 139 13.194 6.616 -4.970 1.00 0.00 H new ATOM 0 HA SER A 139 14.166 7.547 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.128 6.135 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.695 7.254 -5.640 1.00 0.00 H new ATOM 0 HG SER A 139 16.081 5.114 -4.837 1.00 0.00 H new ATOM 349 N GLN A 140 12.997 4.496 -7.177 1.00 0.00 N ATOM 350 CA GLN A 140 12.556 3.314 -7.909 1.00 0.00 C ATOM 351 C GLN A 140 11.040 3.332 -8.108 1.00 0.00 C ATOM 352 O GLN A 140 10.292 2.916 -7.222 1.00 0.00 O ATOM 353 CB GLN A 140 12.959 2.039 -7.163 1.00 0.00 C ATOM 354 CG GLN A 140 14.414 1.642 -7.363 1.00 0.00 C ATOM 355 CD GLN A 140 15.382 2.650 -6.777 1.00 0.00 C ATOM 356 OE1 GLN A 140 15.813 3.582 -7.457 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.733 2.468 -5.510 1.00 0.00 N ATOM 0 H GLN A 140 12.765 4.486 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 140 13.040 3.326 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.774 2.179 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.320 1.220 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.587 0.669 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.613 1.531 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 140 15.352 1.682 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.384 3.114 -5.063 1.00 0.00 H new ATOM 366 N PRO A 141 10.561 3.820 -9.270 1.00 0.00 N ATOM 367 CA PRO A 141 9.125 3.880 -9.560 1.00 0.00 C ATOM 368 C PRO A 141 8.525 2.499 -9.806 1.00 0.00 C ATOM 369 O PRO A 141 7.314 2.359 -9.975 1.00 0.00 O ATOM 370 CB PRO A 141 9.053 4.729 -10.831 1.00 0.00 C ATOM 371 CG PRO A 141 10.372 4.528 -11.493 1.00 0.00 C ATOM 372 CD PRO A 141 11.372 4.354 -10.382 1.00 0.00 C ATOM 0 HA PRO A 141 8.558 4.291 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.234 4.410 -11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.883 5.780 -10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 141 10.353 3.652 -12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.629 5.383 -12.119 1.00 0.00 H new ATOM 0 HD2 PRO A 141 12.169 3.666 -10.664 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.845 5.299 -10.116 1.00 0.00 H new ATOM 380 N GLN A 142 9.382 1.482 -9.826 1.00 0.00 N ATOM 381 CA GLN A 142 8.940 0.110 -10.051 1.00 0.00 C ATOM 382 C GLN A 142 8.226 -0.440 -8.820 1.00 0.00 C ATOM 383 O GLN A 142 7.314 -1.260 -8.933 1.00 0.00 O ATOM 384 CB GLN A 142 10.132 -0.781 -10.406 1.00 0.00 C ATOM 385 CG GLN A 142 11.192 -0.841 -9.317 1.00 0.00 C ATOM 386 CD GLN A 142 12.398 -1.666 -9.723 1.00 0.00 C ATOM 387 OE1 GLN A 142 13.366 -1.142 -10.273 1.00 0.00 O ATOM 388 NE2 GLN A 142 12.344 -2.965 -9.454 1.00 0.00 N ATOM 0 H GLN A 142 10.388 1.583 -9.689 1.00 0.00 H new ATOM 0 HA GLN A 142 8.238 0.113 -10.885 1.00 0.00 H new ATOM 0 HB2 GLN A 142 9.773 -1.790 -10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 142 10.588 -0.414 -11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 142 11.514 0.171 -9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 142 10.755 -1.264 -8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 142 11.521 -3.357 -8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 142 13.125 -3.571 -9.705 1.00 0.00 H new ATOM 397 N VAL A 143 8.648 0.016 -7.645 1.00 0.00 N ATOM 398 CA VAL A 143 8.052 -0.428 -6.393 1.00 0.00 C ATOM 399 C VAL A 143 6.719 0.270 -6.146 1.00 0.00 C ATOM 400 O VAL A 143 5.737 -0.362 -5.754 1.00 0.00 O ATOM 401 CB VAL A 143 8.989 -0.158 -5.200 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.429 -0.773 -3.925 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.384 -0.692 -5.489 1.00 0.00 C ATOM 0 H VAL A 143 9.402 0.694 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 143 7.888 -1.502 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 143 9.057 0.920 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.106 -0.570 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.452 -0.339 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.327 -1.850 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 143 11.034 -0.493 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.333 -1.767 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.786 -0.199 -6.374 1.00 0.00 H new ATOM 413 N TYR A 144 6.693 1.577 -6.381 1.00 0.00 N ATOM 414 CA TYR A 144 5.484 2.368 -6.187 1.00 0.00 C ATOM 415 C TYR A 144 4.388 1.921 -7.149 1.00 0.00 C ATOM 416 O TYR A 144 3.212 1.860 -6.785 1.00 0.00 O ATOM 417 CB TYR A 144 5.789 3.856 -6.385 1.00 0.00 C ATOM 418 CG TYR A 144 4.624 4.769 -6.071 1.00 0.00 C ATOM 419 CD1 TYR A 144 3.980 4.708 -4.841 1.00 0.00 C ATOM 420 CD2 TYR A 144 4.174 5.698 -7.002 1.00 0.00 C ATOM 421 CE1 TYR A 144 2.919 5.545 -4.550 1.00 0.00 C ATOM 422 CE2 TYR A 144 3.114 6.537 -6.717 1.00 0.00 C ATOM 423 CZ TYR A 144 2.490 6.457 -5.490 1.00 0.00 C ATOM 424 OH TYR A 144 1.435 7.293 -5.203 1.00 0.00 O ATOM 0 H TYR A 144 7.498 2.112 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 144 5.130 2.213 -5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.633 4.131 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 144 6.097 4.019 -7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.314 3.996 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 144 4.661 5.765 -7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 144 2.428 5.484 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 144 2.776 7.252 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 144 1.260 7.875 -5.972 1.00 0.00 H new ATOM 434 N ASN A 145 4.784 1.602 -8.378 1.00 0.00 N ATOM 435 CA ASN A 145 3.840 1.157 -9.397 1.00 0.00 C ATOM 436 C ASN A 145 3.188 -0.163 -8.994 1.00 0.00 C ATOM 437 O ASN A 145 1.962 -0.292 -9.008 1.00 0.00 O ATOM 438 CB ASN A 145 4.552 0.998 -10.742 1.00 0.00 C ATOM 439 CG ASN A 145 3.602 0.615 -11.859 1.00 0.00 C ATOM 440 OD1 ASN A 145 3.376 -0.567 -12.119 1.00 0.00 O ATOM 441 ND2 ASN A 145 3.039 1.615 -12.527 1.00 0.00 N ATOM 0 H ASN A 145 5.754 1.644 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 145 3.060 1.912 -9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 145 5.051 1.933 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.327 0.237 -10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 145 2.391 1.418 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 145 3.255 2.580 -12.278 1.00 0.00 H new ATOM 448 N ASP A 146 4.017 -1.139 -8.636 1.00 0.00 N ATOM 449 CA ASP A 146 3.526 -2.449 -8.227 1.00 0.00 C ATOM 450 C ASP A 146 2.567 -2.327 -7.047 1.00 0.00 C ATOM 451 O ASP A 146 1.523 -2.982 -7.015 1.00 0.00 O ATOM 452 CB ASP A 146 4.694 -3.363 -7.853 1.00 0.00 C ATOM 453 CG ASP A 146 4.240 -4.771 -7.518 1.00 0.00 C ATOM 454 OD1 ASP A 146 3.848 -5.008 -6.356 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.275 -5.635 -8.419 1.00 0.00 O ATOM 0 H ASP A 146 5.033 -1.046 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 146 2.987 -2.884 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.403 -3.400 -8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.223 -2.941 -6.998 1.00 0.00 H new ATOM 460 N PHE A 147 2.926 -1.487 -6.080 1.00 0.00 N ATOM 461 CA PHE A 147 2.093 -1.279 -4.901 1.00 0.00 C ATOM 462 C PHE A 147 0.705 -0.795 -5.306 1.00 0.00 C ATOM 463 O PHE A 147 -0.306 -1.347 -4.871 1.00 0.00 O ATOM 464 CB PHE A 147 2.745 -0.268 -3.955 1.00 0.00 C ATOM 465 CG PHE A 147 2.053 -0.161 -2.624 1.00 0.00 C ATOM 466 CD1 PHE A 147 2.404 -0.999 -1.578 1.00 0.00 C ATOM 467 CD2 PHE A 147 1.052 0.776 -2.421 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.769 -0.905 -0.355 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.414 0.874 -1.200 1.00 0.00 C ATOM 470 CZ PHE A 147 0.773 0.033 -0.166 1.00 0.00 C ATOM 0 H PHE A 147 3.787 -0.940 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 147 1.994 -2.232 -4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.785 -0.552 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.752 0.712 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 147 3.183 -1.734 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.768 1.437 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 147 2.051 -1.564 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.365 1.608 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.276 0.108 0.790 1.00 0.00 H new ATOM 480 N LEU A 148 0.666 0.240 -6.141 1.00 0.00 N ATOM 481 CA LEU A 148 -0.598 0.792 -6.609 1.00 0.00 C ATOM 482 C LEU A 148 -1.444 -0.292 -7.263 1.00 0.00 C ATOM 483 O LEU A 148 -2.659 -0.345 -7.072 1.00 0.00 O ATOM 484 CB LEU A 148 -0.354 1.935 -7.596 1.00 0.00 C ATOM 485 CG LEU A 148 0.312 3.180 -7.004 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.559 4.217 -8.088 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.543 3.769 -5.890 1.00 0.00 C ATOM 0 H LEU A 148 1.494 0.711 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.138 1.185 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 148 0.268 1.563 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.309 2.227 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 148 1.272 2.886 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 148 1.033 5.095 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 148 1.212 3.796 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.390 4.504 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.052 4.653 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.519 4.047 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -0.671 3.029 -5.100 1.00 0.00 H new ATOM 499 N ASP A 149 -0.793 -1.159 -8.035 1.00 0.00 N ATOM 500 CA ASP A 149 -1.486 -2.250 -8.713 1.00 0.00 C ATOM 501 C ASP A 149 -2.181 -3.154 -7.701 1.00 0.00 C ATOM 502 O ASP A 149 -3.355 -3.494 -7.860 1.00 0.00 O ATOM 503 CB ASP A 149 -0.504 -3.067 -9.553 1.00 0.00 C ATOM 504 CG ASP A 149 -1.166 -4.258 -10.218 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.748 -4.081 -11.309 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.105 -5.366 -9.647 1.00 0.00 O ATOM 0 H ASP A 149 0.212 -1.127 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.239 -1.818 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.063 -2.427 -10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 149 0.311 -3.415 -8.919 1.00 0.00 H new ATOM 511 N ILE A 150 -1.448 -3.538 -6.660 1.00 0.00 N ATOM 512 CA ILE A 150 -1.993 -4.398 -5.618 1.00 0.00 C ATOM 513 C ILE A 150 -3.213 -3.753 -4.970 1.00 0.00 C ATOM 514 O ILE A 150 -4.191 -4.430 -4.652 1.00 0.00 O ATOM 515 CB ILE A 150 -0.940 -4.703 -4.533 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.285 -5.375 -5.157 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.538 -5.582 -3.443 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.425 -5.589 -4.185 1.00 0.00 C ATOM 0 H ILE A 150 -0.475 -3.266 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.287 -5.334 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.625 -3.763 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -0.012 -6.338 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.638 -4.765 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.782 -5.788 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.382 -5.068 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.879 -6.521 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.257 -6.070 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.751 -4.627 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.090 -6.225 -3.365 1.00 0.00 H new ATOM 530 N MET A 151 -3.148 -2.438 -4.778 1.00 0.00 N ATOM 531 CA MET A 151 -4.253 -1.700 -4.177 1.00 0.00 C ATOM 532 C MET A 151 -5.448 -1.651 -5.123 1.00 0.00 C ATOM 533 O MET A 151 -6.599 -1.693 -4.688 1.00 0.00 O ATOM 534 CB MET A 151 -3.811 -0.282 -3.812 1.00 0.00 C ATOM 535 CG MET A 151 -3.146 -0.191 -2.448 1.00 0.00 C ATOM 536 SD MET A 151 -4.290 -0.551 -1.103 1.00 0.00 S ATOM 537 CE MET A 151 -3.205 -0.426 0.316 1.00 0.00 C ATOM 0 H MET A 151 -2.343 -1.864 -5.030 1.00 0.00 H new ATOM 0 HA MET A 151 -4.554 -2.219 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 151 -3.118 0.082 -4.571 1.00 0.00 H new ATOM 0 HB3 MET A 151 -4.679 0.377 -3.830 1.00 0.00 H new ATOM 0 HG2 MET A 151 -2.310 -0.889 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 151 -2.734 0.809 -2.313 1.00 0.00 H new ATOM 0 HE1 MET A 151 -3.749 -0.710 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 151 -2.352 -1.092 0.182 1.00 0.00 H new ATOM 0 HE3 MET A 151 -2.852 0.600 0.415 1.00 0.00 H new ATOM 547 N LYS A 152 -5.167 -1.563 -6.420 1.00 0.00 N ATOM 548 CA LYS A 152 -6.221 -1.518 -7.427 1.00 0.00 C ATOM 549 C LYS A 152 -6.995 -2.830 -7.444 1.00 0.00 C ATOM 550 O LYS A 152 -8.214 -2.842 -7.620 1.00 0.00 O ATOM 551 CB LYS A 152 -5.629 -1.236 -8.810 1.00 0.00 C ATOM 552 CG LYS A 152 -5.120 0.187 -8.976 1.00 0.00 C ATOM 553 CD LYS A 152 -4.497 0.398 -10.347 1.00 0.00 C ATOM 554 CE LYS A 152 -3.999 1.824 -10.519 1.00 0.00 C ATOM 555 NZ LYS A 152 -3.379 2.039 -11.856 1.00 0.00 N ATOM 0 H LYS A 152 -4.220 -1.522 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 152 -6.907 -0.711 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -4.809 -1.930 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -6.388 -1.432 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -5.943 0.888 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.383 0.404 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -3.668 -0.297 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -5.231 0.172 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.830 2.517 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -3.270 2.050 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -3.053 3.023 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -2.570 1.396 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -4.081 1.848 -12.599 1.00 0.00 H new ATOM 569 N GLU A 153 -6.279 -3.936 -7.259 1.00 0.00 N ATOM 570 CA GLU A 153 -6.900 -5.255 -7.242 1.00 0.00 C ATOM 571 C GLU A 153 -7.585 -5.505 -5.903 1.00 0.00 C ATOM 572 O GLU A 153 -8.599 -6.202 -5.832 1.00 0.00 O ATOM 573 CB GLU A 153 -5.855 -6.342 -7.505 1.00 0.00 C ATOM 574 CG GLU A 153 -5.087 -6.148 -8.803 1.00 0.00 C ATOM 575 CD GLU A 153 -5.987 -6.165 -10.022 1.00 0.00 C ATOM 576 OE1 GLU A 153 -6.226 -7.263 -10.567 1.00 0.00 O ATOM 577 OE2 GLU A 153 -6.453 -5.081 -10.432 1.00 0.00 O ATOM 0 H GLU A 153 -5.269 -3.944 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.650 -5.290 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.149 -6.364 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.351 -7.313 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -4.551 -5.200 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.338 -6.934 -8.898 1.00 0.00 H new ATOM 584 N PHE A 154 -7.023 -4.933 -4.841 1.00 0.00 N ATOM 585 CA PHE A 154 -7.581 -5.087 -3.501 1.00 0.00 C ATOM 586 C PHE A 154 -8.873 -4.289 -3.367 1.00 0.00 C ATOM 587 O PHE A 154 -9.750 -4.633 -2.574 1.00 0.00 O ATOM 588 CB PHE A 154 -6.565 -4.633 -2.447 1.00 0.00 C ATOM 589 CG PHE A 154 -7.080 -4.700 -1.035 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.585 -5.884 -0.520 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.056 -3.576 -0.222 1.00 0.00 C ATOM 592 CE1 PHE A 154 -8.055 -5.946 0.778 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.527 -3.633 1.076 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.027 -4.820 1.576 1.00 0.00 C ATOM 0 H PHE A 154 -6.181 -4.358 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.806 -6.141 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.672 -5.252 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.263 -3.609 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.611 -6.768 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -6.665 -2.646 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.444 -6.875 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -7.504 -2.751 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.396 -4.867 2.590 1.00 0.00 H new ATOM 604 N LYS A 155 -8.984 -3.224 -4.154 1.00 0.00 N ATOM 605 CA LYS A 155 -10.169 -2.377 -4.135 1.00 0.00 C ATOM 606 C LYS A 155 -11.344 -3.094 -4.792 1.00 0.00 C ATOM 607 O LYS A 155 -12.499 -2.889 -4.419 1.00 0.00 O ATOM 608 CB LYS A 155 -9.883 -1.053 -4.850 1.00 0.00 C ATOM 609 CG LYS A 155 -11.011 -0.036 -4.743 1.00 0.00 C ATOM 610 CD LYS A 155 -11.999 -0.161 -5.895 1.00 0.00 C ATOM 611 CE LYS A 155 -11.387 0.294 -7.211 1.00 0.00 C ATOM 612 NZ LYS A 155 -12.341 0.147 -8.347 1.00 0.00 N ATOM 0 H LYS A 155 -8.265 -2.927 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.431 -2.164 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.974 -0.617 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.688 -1.255 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -11.536 -0.174 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -10.593 0.970 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -12.325 -1.197 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -12.886 0.435 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -11.080 1.336 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -10.488 -0.288 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -11.886 0.468 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -12.615 -0.852 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -13.188 0.722 -8.166 1.00 0.00 H new ATOM 626 N SER A 156 -11.036 -3.939 -5.772 1.00 0.00 N ATOM 627 CA SER A 156 -12.061 -4.693 -6.486 1.00 0.00 C ATOM 628 C SER A 156 -12.321 -6.034 -5.805 1.00 0.00 C ATOM 629 O SER A 156 -12.991 -6.904 -6.362 1.00 0.00 O ATOM 630 CB SER A 156 -11.638 -4.920 -7.938 1.00 0.00 C ATOM 631 OG SER A 156 -11.439 -3.689 -8.609 1.00 0.00 O ATOM 0 H SER A 156 -10.084 -4.119 -6.090 1.00 0.00 H new ATOM 0 HA SER A 156 -12.983 -4.111 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 156 -10.719 -5.505 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 156 -12.401 -5.501 -8.456 1.00 0.00 H new ATOM 0 HG SER A 156 -11.168 -3.861 -9.535 1.00 0.00 H new ATOM 637 N GLN A 157 -11.788 -6.189 -4.595 1.00 0.00 N ATOM 638 CA GLN A 157 -11.956 -7.420 -3.826 1.00 0.00 C ATOM 639 C GLN A 157 -11.392 -8.623 -4.579 1.00 0.00 C ATOM 640 O GLN A 157 -11.745 -9.767 -4.291 1.00 0.00 O ATOM 641 CB GLN A 157 -13.435 -7.651 -3.503 1.00 0.00 C ATOM 642 CG GLN A 157 -14.066 -6.524 -2.701 1.00 0.00 C ATOM 643 CD GLN A 157 -13.417 -6.332 -1.342 1.00 0.00 C ATOM 644 OE1 GLN A 157 -13.366 -5.220 -0.819 1.00 0.00 O ATOM 645 NE2 GLN A 157 -12.919 -7.419 -0.762 1.00 0.00 N ATOM 0 H GLN A 157 -11.234 -5.474 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.401 -7.309 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.987 -7.776 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.535 -8.583 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.992 -5.596 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.127 -6.731 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -12.983 -8.322 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -12.473 -7.350 0.153 1.00 0.00 H new ATOM 654 N SER A 158 -10.509 -8.359 -5.537 1.00 0.00 N ATOM 655 CA SER A 158 -9.894 -9.420 -6.327 1.00 0.00 C ATOM 656 C SER A 158 -9.007 -10.302 -5.453 1.00 0.00 C ATOM 657 O SER A 158 -8.741 -11.457 -5.787 1.00 0.00 O ATOM 658 CB SER A 158 -9.068 -8.824 -7.469 1.00 0.00 C ATOM 659 OG SER A 158 -9.876 -8.041 -8.330 1.00 0.00 O ATOM 0 H SER A 158 -10.203 -7.418 -5.785 1.00 0.00 H new ATOM 0 HA SER A 158 -10.691 -10.034 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 158 -8.266 -8.209 -7.059 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.597 -9.626 -8.037 1.00 0.00 H new ATOM 0 HG SER A 158 -9.324 -7.671 -9.050 1.00 0.00 H new ATOM 665 N ILE A 159 -8.551 -9.749 -4.333 1.00 0.00 N ATOM 666 CA ILE A 159 -7.694 -10.483 -3.410 1.00 0.00 C ATOM 667 C ILE A 159 -8.199 -10.367 -1.975 1.00 0.00 C ATOM 668 O ILE A 159 -8.927 -9.432 -1.637 1.00 0.00 O ATOM 669 CB ILE A 159 -6.237 -9.985 -3.475 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.175 -8.477 -3.206 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.627 -10.316 -4.829 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.764 -7.933 -3.114 1.00 0.00 C ATOM 0 H ILE A 159 -8.761 -8.794 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.725 -11.528 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.659 -10.493 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.706 -7.953 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.700 -8.261 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.598 -9.959 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.641 -11.395 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.204 -9.831 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.799 -6.861 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.235 -8.430 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.241 -8.117 -4.053 1.00 0.00 H new ATOM 684 N ASP A 160 -7.809 -11.321 -1.137 1.00 0.00 N ATOM 685 CA ASP A 160 -8.222 -11.328 0.262 1.00 0.00 C ATOM 686 C ASP A 160 -7.236 -10.545 1.126 1.00 0.00 C ATOM 687 O ASP A 160 -6.290 -9.947 0.614 1.00 0.00 O ATOM 688 CB ASP A 160 -8.338 -12.766 0.773 1.00 0.00 C ATOM 689 CG ASP A 160 -9.367 -13.569 0.001 1.00 0.00 C ATOM 690 OD1 ASP A 160 -10.560 -13.516 0.368 1.00 0.00 O ATOM 691 OD2 ASP A 160 -8.981 -14.251 -0.971 1.00 0.00 O ATOM 0 H ASP A 160 -7.207 -12.100 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.197 -10.846 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -7.367 -13.256 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.608 -12.753 1.829 1.00 0.00 H new ATOM 696 N THR A 161 -7.467 -10.555 2.436 1.00 0.00 N ATOM 697 CA THR A 161 -6.602 -9.842 3.372 1.00 0.00 C ATOM 698 C THR A 161 -5.190 -10.439 3.411 1.00 0.00 C ATOM 699 O THR A 161 -4.208 -9.711 3.262 1.00 0.00 O ATOM 700 CB THR A 161 -7.198 -9.834 4.796 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.516 -9.271 4.770 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.321 -9.032 5.746 1.00 0.00 C ATOM 0 H THR A 161 -8.245 -11.048 2.873 1.00 0.00 H new ATOM 0 HA THR A 161 -6.534 -8.816 3.011 1.00 0.00 H new ATOM 0 HB THR A 161 -7.246 -10.863 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.889 -9.270 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.762 -9.041 6.743 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.326 -9.476 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.246 -8.004 5.392 1.00 0.00 H new ATOM 710 N PRO A 162 -5.052 -11.770 3.609 1.00 0.00 N ATOM 711 CA PRO A 162 -3.735 -12.414 3.659 1.00 0.00 C ATOM 712 C PRO A 162 -2.980 -12.271 2.343 1.00 0.00 C ATOM 713 O PRO A 162 -1.749 -12.274 2.315 1.00 0.00 O ATOM 714 CB PRO A 162 -4.056 -13.887 3.938 1.00 0.00 C ATOM 715 CG PRO A 162 -5.474 -14.059 3.520 1.00 0.00 C ATOM 716 CD PRO A 162 -6.145 -12.744 3.791 1.00 0.00 C ATOM 0 HA PRO A 162 -3.090 -11.963 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.396 -14.548 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.924 -14.127 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.541 -14.321 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.951 -14.864 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.968 -12.561 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.559 -12.702 4.798 1.00 0.00 H new ATOM 724 N GLY A 163 -3.731 -12.139 1.254 1.00 0.00 N ATOM 725 CA GLY A 163 -3.126 -11.993 -0.056 1.00 0.00 C ATOM 726 C GLY A 163 -2.414 -10.666 -0.224 1.00 0.00 C ATOM 727 O GLY A 163 -1.260 -10.625 -0.652 1.00 0.00 O ATOM 0 H GLY A 163 -4.751 -12.131 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.417 -12.805 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.897 -12.087 -0.821 1.00 0.00 H new ATOM 731 N VAL A 164 -3.099 -9.577 0.115 1.00 0.00 N ATOM 732 CA VAL A 164 -2.517 -8.247 -0.006 1.00 0.00 C ATOM 733 C VAL A 164 -1.369 -8.056 0.981 1.00 0.00 C ATOM 734 O VAL A 164 -0.349 -7.457 0.647 1.00 0.00 O ATOM 735 CB VAL A 164 -3.571 -7.139 0.210 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.201 -7.251 1.589 1.00 0.00 C ATOM 737 CG2 VAL A 164 -2.949 -5.765 0.010 1.00 0.00 C ATOM 0 H VAL A 164 -4.054 -9.591 0.474 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.132 -8.165 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.360 -7.270 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -4.940 -6.460 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.687 -8.221 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.428 -7.152 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.706 -4.997 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.138 -5.625 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.557 -5.687 -1.004 1.00 0.00 H new ATOM 747 N ILE A 165 -1.537 -8.571 2.197 1.00 0.00 N ATOM 748 CA ILE A 165 -0.506 -8.450 3.222 1.00 0.00 C ATOM 749 C ILE A 165 0.764 -9.192 2.816 1.00 0.00 C ATOM 750 O ILE A 165 1.873 -8.697 3.016 1.00 0.00 O ATOM 751 CB ILE A 165 -0.995 -8.987 4.583 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.216 -8.195 5.058 1.00 0.00 C ATOM 753 CG2 ILE A 165 0.123 -8.919 5.615 1.00 0.00 C ATOM 754 CD1 ILE A 165 -2.844 -8.746 6.323 1.00 0.00 C ATOM 0 H ILE A 165 -2.373 -9.073 2.495 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.284 -7.387 3.322 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.286 -10.031 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -1.922 -7.159 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -2.964 -8.187 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.239 -9.302 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.966 -9.522 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.443 -7.884 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.703 -8.134 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.170 -9.772 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.112 -8.729 7.130 1.00 0.00 H new ATOM 766 N SER A 166 0.596 -10.382 2.246 1.00 0.00 N ATOM 767 CA SER A 166 1.732 -11.191 1.814 1.00 0.00 C ATOM 768 C SER A 166 2.466 -10.533 0.649 1.00 0.00 C ATOM 769 O SER A 166 3.696 -10.491 0.623 1.00 0.00 O ATOM 770 CB SER A 166 1.266 -12.592 1.412 1.00 0.00 C ATOM 771 OG SER A 166 0.339 -12.535 0.341 1.00 0.00 O ATOM 0 H SER A 166 -0.315 -10.807 2.073 1.00 0.00 H new ATOM 0 HA SER A 166 2.423 -11.271 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 166 2.126 -13.195 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.807 -13.085 2.269 1.00 0.00 H new ATOM 0 HG SER A 166 -0.091 -11.654 0.327 1.00 0.00 H new ATOM 777 N ARG A 167 1.704 -10.020 -0.313 1.00 0.00 N ATOM 778 CA ARG A 167 2.287 -9.367 -1.481 1.00 0.00 C ATOM 779 C ARG A 167 3.061 -8.114 -1.083 1.00 0.00 C ATOM 780 O ARG A 167 4.138 -7.846 -1.615 1.00 0.00 O ATOM 781 CB ARG A 167 1.198 -9.011 -2.495 1.00 0.00 C ATOM 782 CG ARG A 167 0.582 -10.225 -3.173 1.00 0.00 C ATOM 783 CD ARG A 167 -0.428 -9.817 -4.235 1.00 0.00 C ATOM 784 NE ARG A 167 -1.005 -10.975 -4.914 1.00 0.00 N ATOM 785 CZ ARG A 167 -1.549 -10.923 -6.127 1.00 0.00 C ATOM 786 NH1 ARG A 167 -1.583 -9.777 -6.793 1.00 0.00 N ATOM 787 NH2 ARG A 167 -2.057 -12.019 -6.675 1.00 0.00 N ATOM 0 H ARG A 167 0.684 -10.044 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 167 2.984 -10.067 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.412 -8.449 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.621 -8.355 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.368 -10.827 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.094 -10.851 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -1.224 -9.233 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.057 -9.171 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 167 -0.990 -11.873 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.192 -8.933 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -2.001 -9.740 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.031 -12.903 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.474 -11.978 -7.605 1.00 0.00 H new ATOM 801 N VAL A 168 2.507 -7.348 -0.147 1.00 0.00 N ATOM 802 CA VAL A 168 3.153 -6.127 0.320 1.00 0.00 C ATOM 803 C VAL A 168 4.408 -6.447 1.131 1.00 0.00 C ATOM 804 O VAL A 168 5.404 -5.725 1.060 1.00 0.00 O ATOM 805 CB VAL A 168 2.193 -5.273 1.177 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.927 -4.101 1.812 1.00 0.00 C ATOM 807 CG2 VAL A 168 1.027 -4.778 0.334 1.00 0.00 C ATOM 0 H VAL A 168 1.614 -7.551 0.302 1.00 0.00 H new ATOM 0 HA VAL A 168 3.434 -5.556 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 168 1.802 -5.901 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 168 2.229 -3.515 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.727 -4.476 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.352 -3.471 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.360 -4.178 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.405 -4.170 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.480 -5.631 -0.067 1.00 0.00 H new ATOM 817 N SER A 169 4.355 -7.534 1.896 1.00 0.00 N ATOM 818 CA SER A 169 5.488 -7.947 2.716 1.00 0.00 C ATOM 819 C SER A 169 6.658 -8.395 1.846 1.00 0.00 C ATOM 820 O SER A 169 7.818 -8.127 2.162 1.00 0.00 O ATOM 821 CB SER A 169 5.077 -9.080 3.659 1.00 0.00 C ATOM 822 OG SER A 169 6.166 -9.491 4.468 1.00 0.00 O ATOM 0 H SER A 169 3.540 -8.144 1.965 1.00 0.00 H new ATOM 0 HA SER A 169 5.806 -7.088 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.254 -8.750 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.712 -9.927 3.078 1.00 0.00 H new ATOM 0 HG SER A 169 5.877 -10.215 5.062 1.00 0.00 H new ATOM 828 N GLN A 170 6.346 -9.079 0.751 1.00 0.00 N ATOM 829 CA GLN A 170 7.369 -9.564 -0.168 1.00 0.00 C ATOM 830 C GLN A 170 7.837 -8.444 -1.093 1.00 0.00 C ATOM 831 O GLN A 170 8.981 -8.439 -1.549 1.00 0.00 O ATOM 832 CB GLN A 170 6.824 -10.738 -0.988 1.00 0.00 C ATOM 833 CG GLN A 170 7.852 -11.384 -1.907 1.00 0.00 C ATOM 834 CD GLN A 170 8.049 -10.618 -3.202 1.00 0.00 C ATOM 835 OE1 GLN A 170 7.134 -9.958 -3.693 1.00 0.00 O ATOM 836 NE2 GLN A 170 9.251 -10.706 -3.762 1.00 0.00 N ATOM 0 H GLN A 170 5.391 -9.311 0.478 1.00 0.00 H new ATOM 0 HA GLN A 170 8.224 -9.906 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.436 -11.494 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 170 5.984 -10.389 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 170 8.806 -11.455 -1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 170 7.538 -12.402 -2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 170 9.980 -11.265 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 170 9.444 -10.214 -4.634 1.00 0.00 H new ATOM 845 N LEU A 171 6.946 -7.495 -1.359 1.00 0.00 N ATOM 846 CA LEU A 171 7.260 -6.370 -2.234 1.00 0.00 C ATOM 847 C LEU A 171 8.448 -5.570 -1.706 1.00 0.00 C ATOM 848 O LEU A 171 9.514 -5.548 -2.322 1.00 0.00 O ATOM 849 CB LEU A 171 6.042 -5.456 -2.383 1.00 0.00 C ATOM 850 CG LEU A 171 6.246 -4.246 -3.298 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.516 -4.692 -4.728 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.033 -3.328 -3.245 1.00 0.00 C ATOM 0 H LEU A 171 5.999 -7.482 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 171 7.528 -6.774 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.209 -6.046 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.752 -5.100 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 171 7.115 -3.691 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.658 -3.816 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.415 -5.308 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 171 5.669 -5.271 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.195 -2.473 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.149 -3.874 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.886 -2.978 -2.223 1.00 0.00 H new ATOM 864 N PHE A 172 8.258 -4.915 -0.564 1.00 0.00 N ATOM 865 CA PHE A 172 9.313 -4.106 0.037 1.00 0.00 C ATOM 866 C PHE A 172 10.515 -4.962 0.429 1.00 0.00 C ATOM 867 O PHE A 172 11.549 -4.934 -0.241 1.00 0.00 O ATOM 868 CB PHE A 172 8.783 -3.361 1.265 1.00 0.00 C ATOM 869 CG PHE A 172 7.631 -2.440 0.967 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.737 -1.469 -0.019 1.00 0.00 C ATOM 871 CD2 PHE A 172 6.444 -2.544 1.672 1.00 0.00 C ATOM 872 CE1 PHE A 172 6.680 -0.623 -0.294 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.384 -1.699 1.402 1.00 0.00 C ATOM 874 CZ PHE A 172 5.503 -0.737 0.418 1.00 0.00 C ATOM 0 H PHE A 172 7.385 -4.929 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 172 9.638 -3.381 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 172 8.469 -4.089 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 172 9.595 -2.782 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 172 8.656 -1.374 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 172 6.345 -3.295 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 172 6.775 0.127 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 172 4.464 -1.791 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 172 4.676 -0.075 0.206 1.00 0.00 H new ATOM 884 N LYS A 173 10.369 -5.721 1.513 1.00 0.00 N ATOM 885 CA LYS A 173 11.442 -6.582 2.003 1.00 0.00 C ATOM 886 C LYS A 173 12.693 -5.765 2.322 1.00 0.00 C ATOM 887 O LYS A 173 13.478 -5.435 1.431 1.00 0.00 O ATOM 888 CB LYS A 173 11.762 -7.669 0.974 1.00 0.00 C ATOM 889 CG LYS A 173 13.000 -8.489 1.310 1.00 0.00 C ATOM 890 CD LYS A 173 13.255 -9.565 0.267 1.00 0.00 C ATOM 891 CE LYS A 173 14.554 -10.306 0.538 1.00 0.00 C ATOM 892 NZ LYS A 173 15.736 -9.405 0.465 1.00 0.00 N ATOM 0 H LYS A 173 9.515 -5.757 2.070 1.00 0.00 H new ATOM 0 HA LYS A 173 11.104 -7.059 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 173 10.906 -8.339 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 173 11.900 -7.203 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.867 -7.831 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 173 12.877 -8.952 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 173 12.426 -10.272 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 173 13.293 -9.111 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 173 14.510 -10.766 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 173 14.668 -11.113 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 16.601 -9.974 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 15.642 -8.774 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 15.793 -8.836 1.334 1.00 0.00 H new ATOM 906 N GLY A 174 12.869 -5.441 3.599 1.00 0.00 N ATOM 907 CA GLY A 174 14.020 -4.661 4.019 1.00 0.00 C ATOM 908 C GLY A 174 13.618 -3.377 4.720 1.00 0.00 C ATOM 909 O GLY A 174 14.377 -2.836 5.525 1.00 0.00 O ATOM 0 H GLY A 174 12.234 -5.705 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.638 -5.260 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.632 -4.422 3.149 1.00 0.00 H new ATOM 913 N HIS A 175 12.421 -2.890 4.409 1.00 0.00 N ATOM 914 CA HIS A 175 11.909 -1.665 5.012 1.00 0.00 C ATOM 915 C HIS A 175 10.770 -1.972 5.985 1.00 0.00 C ATOM 916 O HIS A 175 9.611 -2.063 5.581 1.00 0.00 O ATOM 917 CB HIS A 175 11.421 -0.702 3.926 1.00 0.00 C ATOM 918 CG HIS A 175 12.526 -0.111 3.107 1.00 0.00 C ATOM 919 ND1 HIS A 175 12.833 1.235 3.116 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.399 -0.688 2.246 1.00 0.00 C ATOM 921 CE1 HIS A 175 13.845 1.459 2.296 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.206 0.310 1.758 1.00 0.00 N ATOM 0 H HIS A 175 11.786 -3.327 3.741 1.00 0.00 H new ATOM 0 HA HIS A 175 12.721 -1.195 5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.734 -1.231 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 175 10.856 0.104 4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 175 13.450 -1.736 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.299 2.419 2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.963 0.183 1.087 1.00 0.00 H new ATOM 931 N PRO A 176 11.085 -2.146 7.285 1.00 0.00 N ATOM 932 CA PRO A 176 10.074 -2.442 8.305 1.00 0.00 C ATOM 933 C PRO A 176 9.190 -1.239 8.607 1.00 0.00 C ATOM 934 O PRO A 176 8.157 -1.367 9.265 1.00 0.00 O ATOM 935 CB PRO A 176 10.907 -2.814 9.534 1.00 0.00 C ATOM 936 CG PRO A 176 12.199 -2.099 9.345 1.00 0.00 C ATOM 937 CD PRO A 176 12.443 -2.068 7.861 1.00 0.00 C ATOM 0 HA PRO A 176 9.389 -3.227 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.414 -2.504 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 176 11.057 -3.892 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.150 -1.090 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 176 13.009 -2.613 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.955 -1.155 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.064 -2.904 7.539 1.00 0.00 H new ATOM 945 N ASP A 177 9.600 -0.072 8.123 1.00 0.00 N ATOM 946 CA ASP A 177 8.844 1.155 8.341 1.00 0.00 C ATOM 947 C ASP A 177 7.469 1.070 7.687 1.00 0.00 C ATOM 948 O ASP A 177 6.443 1.210 8.356 1.00 0.00 O ATOM 949 CB ASP A 177 9.611 2.357 7.787 1.00 0.00 C ATOM 950 CG ASP A 177 8.886 3.667 8.026 1.00 0.00 C ATOM 951 OD1 ASP A 177 8.064 4.055 7.169 1.00 0.00 O ATOM 952 OD2 ASP A 177 9.137 4.304 9.070 1.00 0.00 O ATOM 0 H ASP A 177 10.453 0.050 7.577 1.00 0.00 H new ATOM 0 HA ASP A 177 8.709 1.283 9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.596 2.401 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.768 2.222 6.717 1.00 0.00 H new ATOM 957 N LEU A 178 7.455 0.836 6.378 1.00 0.00 N ATOM 958 CA LEU A 178 6.210 0.733 5.630 1.00 0.00 C ATOM 959 C LEU A 178 5.382 -0.458 6.100 1.00 0.00 C ATOM 960 O LEU A 178 4.159 -0.367 6.215 1.00 0.00 O ATOM 961 CB LEU A 178 6.500 0.611 4.131 1.00 0.00 C ATOM 962 CG LEU A 178 6.952 1.900 3.434 1.00 0.00 C ATOM 963 CD1 LEU A 178 5.918 3.001 3.614 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.310 2.356 3.950 1.00 0.00 C ATOM 0 H LEU A 178 8.296 0.714 5.813 1.00 0.00 H new ATOM 0 HA LEU A 178 5.634 1.641 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.271 -0.146 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 178 5.601 0.247 3.634 1.00 0.00 H new ATOM 0 HG LEU A 178 7.048 1.687 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.259 3.906 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 178 4.969 2.683 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 178 5.784 3.204 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 178 8.605 3.272 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.248 2.543 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.051 1.579 3.760 1.00 0.00 H new ATOM 976 N ILE A 179 6.053 -1.575 6.368 1.00 0.00 N ATOM 977 CA ILE A 179 5.377 -2.785 6.826 1.00 0.00 C ATOM 978 C ILE A 179 4.573 -2.517 8.095 1.00 0.00 C ATOM 979 O ILE A 179 3.371 -2.780 8.147 1.00 0.00 O ATOM 980 CB ILE A 179 6.384 -3.923 7.089 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.181 -4.229 5.818 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.662 -5.169 7.583 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.294 -5.234 6.023 1.00 0.00 C ATOM 0 H ILE A 179 7.065 -1.667 6.276 1.00 0.00 H new ATOM 0 HA ILE A 179 4.697 -3.093 6.032 1.00 0.00 H new ATOM 0 HB ILE A 179 7.080 -3.602 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.500 -4.606 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.607 -3.302 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 179 6.387 -5.962 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.135 -4.941 8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.946 -5.497 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.813 -5.400 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.998 -4.852 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.873 -6.176 6.376 1.00 0.00 H new ATOM 995 N MET A 180 5.245 -1.991 9.115 1.00 0.00 N ATOM 996 CA MET A 180 4.593 -1.680 10.384 1.00 0.00 C ATOM 997 C MET A 180 3.434 -0.712 10.176 1.00 0.00 C ATOM 998 O MET A 180 2.341 -0.916 10.704 1.00 0.00 O ATOM 999 CB MET A 180 5.601 -1.083 11.367 1.00 0.00 C ATOM 1000 CG MET A 180 6.648 -2.074 11.847 1.00 0.00 C ATOM 1001 SD MET A 180 7.839 -1.332 12.980 1.00 0.00 S ATOM 1002 CE MET A 180 8.847 -2.753 13.396 1.00 0.00 C ATOM 0 H MET A 180 6.241 -1.771 9.088 1.00 0.00 H new ATOM 0 HA MET A 180 4.199 -2.608 10.798 1.00 0.00 H new ATOM 0 HB2 MET A 180 6.103 -0.240 10.892 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.064 -0.689 12.230 1.00 0.00 H new ATOM 0 HG2 MET A 180 6.152 -2.909 12.343 1.00 0.00 H new ATOM 0 HG3 MET A 180 7.177 -2.483 10.986 1.00 0.00 H new ATOM 0 HE1 MET A 180 9.630 -2.452 14.092 1.00 0.00 H new ATOM 0 HE2 MET A 180 8.224 -3.518 13.860 1.00 0.00 H new ATOM 0 HE3 MET A 180 9.301 -3.155 12.490 1.00 0.00 H new ATOM 1012 N GLY A 181 3.682 0.344 9.406 1.00 0.00 N ATOM 1013 CA GLY A 181 2.646 1.326 9.138 1.00 0.00 C ATOM 1014 C GLY A 181 1.486 0.740 8.359 1.00 0.00 C ATOM 1015 O GLY A 181 0.361 1.232 8.442 1.00 0.00 O ATOM 0 H GLY A 181 4.581 0.537 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.280 1.731 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.073 2.158 8.578 1.00 0.00 H new ATOM 1019 N PHE A 182 1.762 -0.317 7.601 1.00 0.00 N ATOM 1020 CA PHE A 182 0.736 -0.978 6.801 1.00 0.00 C ATOM 1021 C PHE A 182 -0.142 -1.866 7.677 1.00 0.00 C ATOM 1022 O PHE A 182 -1.341 -2.002 7.436 1.00 0.00 O ATOM 1023 CB PHE A 182 1.385 -1.812 5.694 1.00 0.00 C ATOM 1024 CG PHE A 182 0.397 -2.450 4.760 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.209 -1.706 3.760 1.00 0.00 C ATOM 1026 CD2 PHE A 182 0.074 -3.793 4.879 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.117 -2.289 2.896 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -0.834 -4.381 4.019 1.00 0.00 C ATOM 1029 CZ PHE A 182 -1.430 -3.627 3.026 1.00 0.00 C ATOM 0 H PHE A 182 2.689 -0.735 7.524 1.00 0.00 H new ATOM 0 HA PHE A 182 0.109 -0.211 6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 182 2.057 -1.175 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.996 -2.591 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 182 0.031 -0.658 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.537 -4.387 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -1.581 -1.698 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.077 -5.428 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.140 -4.084 2.353 1.00 0.00 H new ATOM 1039 N ASN A 183 0.466 -2.468 8.695 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.257 -3.342 9.612 1.00 0.00 C ATOM 1041 C ASN A 183 -1.367 -2.581 10.329 1.00 0.00 C ATOM 1042 O ASN A 183 -2.499 -3.057 10.426 1.00 0.00 O ATOM 1043 CB ASN A 183 0.704 -3.948 10.636 1.00 0.00 C ATOM 1044 CG ASN A 183 -0.001 -4.862 11.619 1.00 0.00 C ATOM 1045 OD1 ASN A 183 -0.476 -4.422 12.665 1.00 0.00 O ATOM 1046 ND2 ASN A 183 -0.074 -6.146 11.284 1.00 0.00 N ATOM 0 H ASN A 183 1.459 -2.366 8.905 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.709 -4.144 9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.480 -4.509 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 183 1.202 -3.147 11.182 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -0.538 -6.809 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 183 0.334 -6.468 10.406 1.00 0.00 H new ATOM 1053 N THR A 184 -1.032 -1.396 10.831 1.00 0.00 N ATOM 1054 CA THR A 184 -1.995 -0.563 11.542 1.00 0.00 C ATOM 1055 C THR A 184 -2.888 0.198 10.568 1.00 0.00 C ATOM 1056 O THR A 184 -3.788 0.932 10.979 1.00 0.00 O ATOM 1057 CB THR A 184 -1.286 0.448 12.464 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.428 1.297 11.691 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.472 -0.267 13.531 1.00 0.00 C ATOM 0 H THR A 184 -0.099 -0.991 10.758 1.00 0.00 H new ATOM 0 HA THR A 184 -2.608 -1.232 12.147 1.00 0.00 H new ATOM 0 HB THR A 184 -2.048 1.052 12.957 1.00 0.00 H new ATOM 0 HG1 THR A 184 0.018 1.938 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 184 0.018 0.469 14.168 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.132 -0.889 14.136 1.00 0.00 H new ATOM 0 HG23 THR A 184 0.282 -0.894 13.054 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.635 0.018 9.275 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.413 0.691 8.241 1.00 0.00 C ATOM 1069 C PHE A 185 -4.495 -0.233 7.685 1.00 0.00 C ATOM 1070 O PHE A 185 -5.386 0.206 6.957 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.490 1.163 7.114 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.183 1.995 6.070 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.560 3.300 6.343 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.452 1.471 4.815 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -4.194 4.068 5.383 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.085 2.235 3.852 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.457 3.534 4.137 1.00 0.00 C ATOM 0 H PHE A 185 -1.897 -0.589 8.919 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.902 1.557 8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.674 1.743 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.044 0.292 6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -3.357 3.722 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.164 0.455 4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -4.483 5.084 5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.288 1.816 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.953 4.131 3.386 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.412 -1.513 8.036 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.382 -2.498 7.569 1.00 0.00 C ATOM 1089 C LEU A 186 -6.803 -2.098 7.967 1.00 0.00 C ATOM 1090 O LEU A 186 -7.013 -1.513 9.029 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.053 -3.882 8.135 1.00 0.00 C ATOM 1092 CG LEU A 186 -3.710 -4.467 7.689 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -3.464 -5.809 8.360 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -3.666 -4.613 6.174 1.00 0.00 C ATOM 0 H LEU A 186 -3.684 -1.892 8.642 1.00 0.00 H new ATOM 0 HA LEU A 186 -5.325 -2.535 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.062 -3.823 9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -5.846 -4.573 7.847 1.00 0.00 H new ATOM 0 HG LEU A 186 -2.920 -3.780 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -2.505 -6.210 8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -3.451 -5.678 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -4.260 -6.503 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -2.704 -5.030 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -4.466 -5.278 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -3.796 -3.635 5.710 1.00 0.00 H new