USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 646 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 270 GLN : amide:sc= -7.64! C(o=-7.6!,f=-15!) USER MOD Set 1.2: A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 SER OG : rot 180:sc= 0 USER MOD Single : A 275 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 280 THR OG1 : rot -140:sc= -0.652 USER MOD Single : A 282 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 283 GLN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 286 ASN : amide:sc= -6.24! C(o=-6.2!,f=-8.9!) USER MOD Single : A 289 SER OG : rot 174:sc= -4.61! USER MOD Single : A 298 THR OG1 : rot 180:sc= 0 USER MOD Single : A 305 ASN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 306 SER OG : rot 180:sc= 0 USER MOD Single : A 307 THR OG1 : rot -21:sc= 0.505 USER MOD Single : A 309 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 314 HIS : no HD1:sc= -8.24! C(o=-8.2!,f=-12!) USER MOD Single : A 315 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ -124:sc= -0.888 (180deg=-2.68!) USER MOD Single : A 318 GLN : amide:sc= -3.97! K(o=-4!,f=-0.99) USER MOD Single : A 321 THR OG1 : rot 107:sc= -1.88! USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 336 ASN : amide:sc= -11.7! C(o=-12!,f=-8.1!) USER MOD Single : A 341 GLN : amide:sc= -12.5! C(o=-12!,f=-10!) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 268 4.579 13.819 5.839 1.00 0.00 N ATOM 63 CA ALA A 268 5.332 13.871 4.615 1.00 0.00 C ATOM 64 C ALA A 268 6.410 12.797 4.577 1.00 0.00 C ATOM 65 O ALA A 268 6.892 12.433 3.506 1.00 0.00 O ATOM 66 CB ALA A 268 5.925 15.257 4.447 1.00 0.00 C ATOM 0 HA ALA A 268 4.660 13.670 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 268 6.496 15.298 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 268 5.123 15.994 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 268 6.583 15.476 5.288 1.00 0.00 H new ATOM 72 N ARG A 269 6.798 12.300 5.749 1.00 0.00 N ATOM 73 CA ARG A 269 7.835 11.277 5.853 1.00 0.00 C ATOM 74 C ARG A 269 7.442 9.965 5.175 1.00 0.00 C ATOM 75 O ARG A 269 8.146 9.489 4.285 1.00 0.00 O ATOM 76 CB ARG A 269 8.161 11.017 7.327 1.00 0.00 C ATOM 77 CG ARG A 269 8.505 12.277 8.107 1.00 0.00 C ATOM 78 CD ARG A 269 9.947 12.698 7.877 1.00 0.00 C ATOM 79 NE ARG A 269 10.897 11.711 8.387 1.00 0.00 N ATOM 80 CZ ARG A 269 12.170 11.981 8.670 1.00 0.00 C ATOM 81 NH1 ARG A 269 12.654 13.205 8.488 1.00 0.00 N ATOM 82 NH2 ARG A 269 12.965 11.024 9.127 1.00 0.00 N ATOM 0 H ARG A 269 6.407 12.591 6.645 1.00 0.00 H new ATOM 0 HA ARG A 269 8.713 11.659 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 269 7.308 10.530 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 269 8.999 10.322 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 269 7.837 13.085 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 269 8.341 12.104 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 269 10.115 12.845 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 269 10.126 13.657 8.363 1.00 0.00 H new ATOM 0 HE ARG A 269 10.565 10.758 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 269 12.050 13.944 8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 269 13.630 13.405 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 269 12.602 10.080 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 269 13.940 11.231 9.344 1.00 0.00 H new ATOM 96 N GLN A 270 6.342 9.361 5.614 1.00 0.00 N ATOM 97 CA GLN A 270 5.909 8.084 5.052 1.00 0.00 C ATOM 98 C GLN A 270 5.819 8.108 3.534 1.00 0.00 C ATOM 99 O GLN A 270 6.220 7.162 2.866 1.00 0.00 O ATOM 100 CB GLN A 270 4.563 7.695 5.626 1.00 0.00 C ATOM 101 CG GLN A 270 4.542 7.636 7.141 1.00 0.00 C ATOM 102 CD GLN A 270 5.601 6.746 7.772 1.00 0.00 C ATOM 103 OE1 GLN A 270 6.564 6.332 7.127 1.00 0.00 O ATOM 104 NE2 GLN A 270 5.421 6.458 9.059 1.00 0.00 N ATOM 0 H GLN A 270 5.739 9.730 6.349 1.00 0.00 H new ATOM 0 HA GLN A 270 6.666 7.349 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 270 3.813 8.410 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 270 4.276 6.721 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 270 4.663 8.647 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 270 3.560 7.287 7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 270 4.608 6.823 9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 270 6.096 5.872 9.550 1.00 0.00 H new ATOM 113 N LEU A 271 5.278 9.178 2.983 1.00 0.00 N ATOM 114 CA LEU A 271 5.135 9.275 1.536 1.00 0.00 C ATOM 115 C LEU A 271 6.436 8.959 0.815 1.00 0.00 C ATOM 116 O LEU A 271 6.434 8.597 -0.361 1.00 0.00 O ATOM 117 CB LEU A 271 4.620 10.659 1.151 1.00 0.00 C ATOM 118 CG LEU A 271 3.115 10.737 0.865 1.00 0.00 C ATOM 119 CD1 LEU A 271 2.836 10.525 -0.616 1.00 0.00 C ATOM 120 CD2 LEU A 271 2.345 9.728 1.710 1.00 0.00 C ATOM 0 H LEU A 271 4.933 9.984 3.504 1.00 0.00 H new ATOM 0 HA LEU A 271 4.407 8.528 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 271 4.858 11.355 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 271 5.160 10.998 0.267 1.00 0.00 H new ATOM 0 HG LEU A 271 2.772 11.735 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 271 1.763 10.584 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.344 11.295 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 271 3.201 9.543 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 271 1.281 9.804 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 271 2.692 8.721 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 271 2.511 9.937 2.767 1.00 0.00 H new ATOM 132 N SER A 272 7.536 9.081 1.526 1.00 0.00 N ATOM 133 CA SER A 272 8.842 8.792 0.955 1.00 0.00 C ATOM 134 C SER A 272 8.942 7.320 0.559 1.00 0.00 C ATOM 135 O SER A 272 9.418 6.990 -0.530 1.00 0.00 O ATOM 136 CB SER A 272 9.944 9.145 1.950 1.00 0.00 C ATOM 137 OG SER A 272 11.179 9.347 1.290 1.00 0.00 O ATOM 0 H SER A 272 7.556 9.378 2.502 1.00 0.00 H new ATOM 0 HA SER A 272 8.968 9.400 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 272 9.669 10.046 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 272 10.046 8.345 2.683 1.00 0.00 H new ATOM 0 HG SER A 272 11.869 9.574 1.948 1.00 0.00 H new ATOM 143 N LYS A 273 8.488 6.439 1.449 1.00 0.00 N ATOM 144 CA LYS A 273 8.521 4.998 1.197 1.00 0.00 C ATOM 145 C LYS A 273 7.364 4.573 0.307 1.00 0.00 C ATOM 146 O LYS A 273 7.521 3.732 -0.576 1.00 0.00 O ATOM 147 CB LYS A 273 8.461 4.195 2.508 1.00 0.00 C ATOM 148 CG LYS A 273 7.626 4.824 3.606 1.00 0.00 C ATOM 149 CD LYS A 273 8.510 5.432 4.682 1.00 0.00 C ATOM 150 CE LYS A 273 9.238 4.356 5.481 1.00 0.00 C ATOM 151 NZ LYS A 273 9.695 4.858 6.807 1.00 0.00 N ATOM 0 H LYS A 273 8.092 6.698 2.353 1.00 0.00 H new ATOM 0 HA LYS A 273 9.465 4.788 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 273 8.063 3.204 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 273 9.477 4.056 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 273 6.982 5.594 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 273 6.974 4.071 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 273 9.238 6.100 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 273 7.902 6.037 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 273 8.576 3.502 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 273 10.097 4.001 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 10.185 4.095 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 10.347 5.657 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 8.873 5.173 7.361 1.00 0.00 H new ATOM 165 N LEU A 274 6.200 5.146 0.559 1.00 0.00 N ATOM 166 CA LEU A 274 5.010 4.818 -0.200 1.00 0.00 C ATOM 167 C LEU A 274 5.167 5.160 -1.672 1.00 0.00 C ATOM 168 O LEU A 274 4.952 4.316 -2.538 1.00 0.00 O ATOM 169 CB LEU A 274 3.812 5.559 0.375 1.00 0.00 C ATOM 170 CG LEU A 274 3.208 4.944 1.636 1.00 0.00 C ATOM 171 CD1 LEU A 274 2.763 3.511 1.393 1.00 0.00 C ATOM 172 CD2 LEU A 274 4.179 5.011 2.808 1.00 0.00 C ATOM 0 H LEU A 274 6.055 5.844 1.288 1.00 0.00 H new ATOM 0 HA LEU A 274 4.853 3.742 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 274 4.112 6.583 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 274 3.037 5.613 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 274 2.328 5.534 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 274 2.338 3.102 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 274 2.011 3.492 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 274 3.621 2.910 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 274 3.717 4.565 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 274 5.088 4.464 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 274 4.427 6.052 3.016 1.00 0.00 H new ATOM 184 N LYS A 275 5.528 6.402 -1.963 1.00 0.00 N ATOM 185 CA LYS A 275 5.686 6.824 -3.347 1.00 0.00 C ATOM 186 C LYS A 275 6.672 5.932 -4.093 1.00 0.00 C ATOM 187 O LYS A 275 6.525 5.710 -5.287 1.00 0.00 O ATOM 188 CB LYS A 275 6.142 8.277 -3.427 1.00 0.00 C ATOM 189 CG LYS A 275 7.550 8.504 -2.910 1.00 0.00 C ATOM 190 CD LYS A 275 7.721 9.922 -2.398 1.00 0.00 C ATOM 191 CE LYS A 275 8.564 10.762 -3.343 1.00 0.00 C ATOM 192 NZ LYS A 275 8.457 12.215 -3.037 1.00 0.00 N ATOM 0 H LYS A 275 5.715 7.126 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 275 4.710 6.733 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 275 6.087 8.609 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 275 5.451 8.897 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 275 7.765 7.796 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 275 8.269 8.312 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 275 6.742 10.385 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 275 8.190 9.900 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 275 9.607 10.452 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 275 8.246 10.583 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 275 9.046 12.754 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 275 7.466 12.517 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 275 8.784 12.390 -2.065 1.00 0.00 H new ATOM 206 N ARG A 276 7.681 5.429 -3.393 1.00 0.00 N ATOM 207 CA ARG A 276 8.678 4.572 -4.021 1.00 0.00 C ATOM 208 C ARG A 276 8.225 3.115 -4.049 1.00 0.00 C ATOM 209 O ARG A 276 8.246 2.465 -5.095 1.00 0.00 O ATOM 210 CB ARG A 276 10.014 4.686 -3.284 1.00 0.00 C ATOM 211 CG ARG A 276 11.197 4.124 -4.057 1.00 0.00 C ATOM 212 CD ARG A 276 11.391 4.841 -5.382 1.00 0.00 C ATOM 213 NE ARG A 276 12.722 4.607 -5.936 1.00 0.00 N ATOM 214 CZ ARG A 276 13.272 5.358 -6.887 1.00 0.00 C ATOM 215 NH1 ARG A 276 12.606 6.385 -7.400 1.00 0.00 N ATOM 216 NH2 ARG A 276 14.489 5.076 -7.330 1.00 0.00 N ATOM 0 H ARG A 276 7.830 5.598 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 276 8.802 4.908 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 276 10.205 5.735 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 276 9.936 4.165 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 276 12.102 4.217 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 276 11.042 3.060 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 276 10.637 4.502 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 276 11.239 5.911 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 276 13.262 3.822 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 276 11.667 6.602 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 276 13.033 6.957 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 276 15.002 4.285 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 276 14.912 5.650 -8.059 1.00 0.00 H new ATOM 230 N PHE A 277 7.842 2.601 -2.883 1.00 0.00 N ATOM 231 CA PHE A 277 7.410 1.213 -2.751 1.00 0.00 C ATOM 232 C PHE A 277 6.294 0.867 -3.730 1.00 0.00 C ATOM 233 O PHE A 277 6.313 -0.194 -4.355 1.00 0.00 O ATOM 234 CB PHE A 277 6.953 0.932 -1.312 1.00 0.00 C ATOM 235 CG PHE A 277 7.148 -0.494 -0.899 1.00 0.00 C ATOM 236 CD1 PHE A 277 8.417 -0.959 -0.645 1.00 0.00 C ATOM 237 CD2 PHE A 277 6.077 -1.370 -0.780 1.00 0.00 C ATOM 238 CE1 PHE A 277 8.634 -2.266 -0.282 1.00 0.00 C ATOM 239 CE2 PHE A 277 6.287 -2.687 -0.410 1.00 0.00 C ATOM 240 CZ PHE A 277 7.569 -3.135 -0.163 1.00 0.00 C ATOM 0 H PHE A 277 7.822 3.129 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 277 8.266 0.582 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 277 7.504 1.580 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 277 5.899 1.191 -1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 277 9.257 -0.286 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 277 5.074 -1.021 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 277 9.638 -2.613 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 277 5.450 -3.363 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 277 7.738 -4.163 0.123 1.00 0.00 H new ATOM 250 N LEU A 278 5.321 1.759 -3.851 1.00 0.00 N ATOM 251 CA LEU A 278 4.186 1.538 -4.741 1.00 0.00 C ATOM 252 C LEU A 278 4.622 1.392 -6.199 1.00 0.00 C ATOM 253 O LEU A 278 4.106 0.543 -6.928 1.00 0.00 O ATOM 254 CB LEU A 278 3.184 2.682 -4.605 1.00 0.00 C ATOM 255 CG LEU A 278 2.662 2.921 -3.188 1.00 0.00 C ATOM 256 CD1 LEU A 278 2.055 4.313 -3.078 1.00 0.00 C ATOM 257 CD2 LEU A 278 1.646 1.854 -2.811 1.00 0.00 C ATOM 0 H LEU A 278 5.293 2.644 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 278 3.713 0.602 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 278 3.652 3.599 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 278 2.336 2.481 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 278 3.497 2.856 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 278 1.687 4.470 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 278 2.814 5.060 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 278 1.228 4.406 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 278 1.284 2.038 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 278 0.809 1.887 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 278 2.117 0.872 -2.855 1.00 0.00 H new ATOM 269 N THR A 279 5.557 2.232 -6.626 1.00 0.00 N ATOM 270 CA THR A 279 6.042 2.202 -8.004 1.00 0.00 C ATOM 271 C THR A 279 6.708 0.877 -8.352 1.00 0.00 C ATOM 272 O THR A 279 6.820 0.528 -9.528 1.00 0.00 O ATOM 273 CB THR A 279 7.022 3.348 -8.253 1.00 0.00 C ATOM 274 OG1 THR A 279 8.218 3.164 -7.508 1.00 0.00 O ATOM 275 CG2 THR A 279 6.442 4.701 -7.903 1.00 0.00 C ATOM 0 H THR A 279 5.995 2.942 -6.040 1.00 0.00 H new ATOM 0 HA THR A 279 5.170 2.318 -8.648 1.00 0.00 H new ATOM 0 HB THR A 279 7.235 3.331 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 279 8.029 3.274 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 279 7.182 5.476 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 279 5.555 4.884 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 279 6.171 4.719 -6.847 1.00 0.00 H new ATOM 283 N THR A 280 7.153 0.138 -7.343 1.00 0.00 N ATOM 284 CA THR A 280 7.806 -1.145 -7.577 1.00 0.00 C ATOM 285 C THR A 280 6.783 -2.276 -7.660 1.00 0.00 C ATOM 286 O THR A 280 6.696 -2.979 -8.665 1.00 0.00 O ATOM 287 CB THR A 280 8.816 -1.434 -6.467 1.00 0.00 C ATOM 288 OG1 THR A 280 9.617 -0.293 -6.212 1.00 0.00 O ATOM 289 CG2 THR A 280 9.747 -2.586 -6.783 1.00 0.00 C ATOM 0 H THR A 280 7.075 0.402 -6.361 1.00 0.00 H new ATOM 0 HA THR A 280 8.330 -1.088 -8.531 1.00 0.00 H new ATOM 0 HB THR A 280 8.218 -1.703 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 280 10.543 -0.572 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 280 10.437 -2.735 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 280 9.163 -3.494 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 280 10.312 -2.360 -7.687 1.00 0.00 H new ATOM 297 N LEU A 281 6.019 -2.452 -6.585 1.00 0.00 N ATOM 298 CA LEU A 281 5.013 -3.507 -6.523 1.00 0.00 C ATOM 299 C LEU A 281 4.063 -3.468 -7.714 1.00 0.00 C ATOM 300 O LEU A 281 3.566 -4.504 -8.154 1.00 0.00 O ATOM 301 CB LEU A 281 4.222 -3.423 -5.222 1.00 0.00 C ATOM 302 CG LEU A 281 3.768 -2.021 -4.835 1.00 0.00 C ATOM 303 CD1 LEU A 281 2.298 -1.833 -5.164 1.00 0.00 C ATOM 304 CD2 LEU A 281 4.026 -1.769 -3.360 1.00 0.00 C ATOM 0 H LEU A 281 6.078 -1.877 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 281 5.548 -4.456 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 281 3.344 -4.063 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 281 4.834 -3.826 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 281 4.343 -1.296 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 281 1.988 -0.827 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 281 2.144 -1.974 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 281 1.706 -2.563 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 281 3.696 -0.763 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 281 3.475 -2.497 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 281 5.092 -1.865 -3.155 1.00 0.00 H new ATOM 316 N GLN A 282 3.819 -2.274 -8.234 1.00 0.00 N ATOM 317 CA GLN A 282 2.932 -2.110 -9.379 1.00 0.00 C ATOM 318 C GLN A 282 3.493 -2.821 -10.600 1.00 0.00 C ATOM 319 O GLN A 282 2.745 -3.308 -11.447 1.00 0.00 O ATOM 320 CB GLN A 282 2.754 -0.624 -9.698 1.00 0.00 C ATOM 321 CG GLN A 282 1.808 -0.354 -10.863 1.00 0.00 C ATOM 322 CD GLN A 282 1.523 1.125 -11.059 1.00 0.00 C ATOM 323 OE1 GLN A 282 2.086 1.764 -11.948 1.00 0.00 O ATOM 324 NE2 GLN A 282 0.642 1.678 -10.233 1.00 0.00 N ATOM 0 H GLN A 282 4.221 -1.405 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 282 1.967 -2.548 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 282 2.378 -0.114 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 282 3.728 -0.191 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 282 2.240 -0.760 -11.778 1.00 0.00 H new ATOM 0 HG3 GLN A 282 0.869 -0.881 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 282 0.197 1.113 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 282 0.410 2.667 -10.323 1.00 0.00 H new ATOM 333 N GLN A 283 4.817 -2.858 -10.694 1.00 0.00 N ATOM 334 CA GLN A 283 5.475 -3.486 -11.826 1.00 0.00 C ATOM 335 C GLN A 283 5.483 -5.005 -11.712 1.00 0.00 C ATOM 336 O GLN A 283 5.545 -5.708 -12.720 1.00 0.00 O ATOM 337 CB GLN A 283 6.907 -2.969 -11.963 1.00 0.00 C ATOM 338 CG GLN A 283 7.001 -1.588 -12.592 1.00 0.00 C ATOM 339 CD GLN A 283 8.361 -0.949 -12.394 1.00 0.00 C ATOM 340 OE1 GLN A 283 8.468 0.172 -11.897 1.00 0.00 O ATOM 341 NE2 GLN A 283 9.408 -1.663 -12.785 1.00 0.00 N ATOM 0 H GLN A 283 5.451 -2.461 -10.001 1.00 0.00 H new ATOM 0 HA GLN A 283 4.905 -3.222 -12.717 1.00 0.00 H new ATOM 0 HB2 GLN A 283 7.370 -2.941 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 283 7.482 -3.673 -12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 283 6.791 -1.664 -13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 283 6.235 -0.944 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 283 9.271 -2.588 -13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 283 10.350 -1.287 -12.679 1.00 0.00 H new ATOM 350 N PHE A 284 5.420 -5.512 -10.488 1.00 0.00 N ATOM 351 CA PHE A 284 5.423 -6.949 -10.264 1.00 0.00 C ATOM 352 C PHE A 284 4.234 -7.600 -10.958 1.00 0.00 C ATOM 353 O PHE A 284 4.291 -8.766 -11.347 1.00 0.00 O ATOM 354 CB PHE A 284 5.385 -7.231 -8.771 1.00 0.00 C ATOM 355 CG PHE A 284 6.717 -7.145 -8.099 1.00 0.00 C ATOM 356 CD1 PHE A 284 7.731 -8.041 -8.390 1.00 0.00 C ATOM 357 CD2 PHE A 284 6.944 -6.163 -7.166 1.00 0.00 C ATOM 358 CE1 PHE A 284 8.953 -7.946 -7.750 1.00 0.00 C ATOM 359 CE2 PHE A 284 8.154 -6.056 -6.524 1.00 0.00 C ATOM 360 CZ PHE A 284 9.164 -6.949 -6.815 1.00 0.00 C ATOM 0 H PHE A 284 5.366 -4.950 -9.638 1.00 0.00 H new ATOM 0 HA PHE A 284 6.335 -7.372 -10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 284 4.704 -6.524 -8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 284 4.973 -8.227 -8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 284 7.567 -8.819 -9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 284 6.157 -5.462 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 284 9.741 -8.648 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 284 8.314 -5.276 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 284 10.117 -6.870 -6.314 1.00 0.00 H new ATOM 370 N GLY A 285 3.158 -6.835 -11.117 1.00 0.00 N ATOM 371 CA GLY A 285 1.978 -7.350 -11.775 1.00 0.00 C ATOM 372 C GLY A 285 1.479 -6.421 -12.863 1.00 0.00 C ATOM 373 O GLY A 285 0.328 -6.510 -13.287 1.00 0.00 O ATOM 0 H GLY A 285 3.085 -5.868 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 285 2.201 -8.326 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 285 1.189 -7.500 -11.038 1.00 0.00 H new ATOM 377 N ASN A 286 2.352 -5.529 -13.326 1.00 0.00 N ATOM 378 CA ASN A 286 1.996 -4.582 -14.377 1.00 0.00 C ATOM 379 C ASN A 286 1.856 -5.274 -15.732 1.00 0.00 C ATOM 380 O ASN A 286 2.003 -4.641 -16.777 1.00 0.00 O ATOM 381 CB ASN A 286 3.049 -3.477 -14.471 1.00 0.00 C ATOM 382 CG ASN A 286 4.422 -4.018 -14.823 1.00 0.00 C ATOM 383 OD1 ASN A 286 4.590 -5.216 -15.044 1.00 0.00 O ATOM 384 ND2 ASN A 286 5.412 -3.134 -14.872 1.00 0.00 N ATOM 0 H ASN A 286 3.311 -5.443 -12.989 1.00 0.00 H new ATOM 0 HA ASN A 286 1.031 -4.147 -14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 286 2.743 -2.750 -15.224 1.00 0.00 H new ATOM 0 HB3 ASN A 286 3.103 -2.947 -13.520 1.00 0.00 H new ATOM 0 HD21 ASN A 286 6.358 -3.440 -15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 286 5.226 -2.149 -14.681 1.00 0.00 H new ATOM 391 N ASP A 287 1.578 -6.574 -15.712 1.00 0.00 N ATOM 392 CA ASP A 287 1.427 -7.339 -16.939 1.00 0.00 C ATOM 393 C ASP A 287 0.490 -8.527 -16.737 1.00 0.00 C ATOM 394 O ASP A 287 0.518 -9.485 -17.510 1.00 0.00 O ATOM 395 CB ASP A 287 2.794 -7.826 -17.419 1.00 0.00 C ATOM 396 CG ASP A 287 3.534 -8.615 -16.354 1.00 0.00 C ATOM 397 OD1 ASP A 287 2.930 -9.544 -15.776 1.00 0.00 O ATOM 398 OD2 ASP A 287 4.715 -8.303 -16.098 1.00 0.00 O ATOM 0 H ASP A 287 1.453 -7.117 -14.858 1.00 0.00 H new ATOM 0 HA ASP A 287 0.988 -6.688 -17.695 1.00 0.00 H new ATOM 0 HB2 ASP A 287 2.665 -8.449 -18.304 1.00 0.00 H new ATOM 0 HB3 ASP A 287 3.398 -6.969 -17.718 1.00 0.00 H new ATOM 403 N ILE A 288 -0.346 -8.464 -15.702 1.00 0.00 N ATOM 404 CA ILE A 288 -1.282 -9.538 -15.424 1.00 0.00 C ATOM 405 C ILE A 288 -2.507 -9.415 -16.335 1.00 0.00 C ATOM 406 O ILE A 288 -3.065 -10.415 -16.787 1.00 0.00 O ATOM 407 CB ILE A 288 -1.702 -9.522 -13.941 1.00 0.00 C ATOM 408 CG1 ILE A 288 -0.576 -10.046 -13.064 1.00 0.00 C ATOM 409 CG2 ILE A 288 -2.973 -10.321 -13.717 1.00 0.00 C ATOM 410 CD1 ILE A 288 -0.228 -11.488 -13.332 1.00 0.00 C ATOM 0 H ILE A 288 -0.390 -7.682 -15.048 1.00 0.00 H new ATOM 0 HA ILE A 288 -0.792 -10.490 -15.626 1.00 0.00 H new ATOM 0 HB ILE A 288 -1.908 -8.489 -13.662 1.00 0.00 H new ATOM 0 HG12 ILE A 288 0.311 -9.431 -13.219 1.00 0.00 H new ATOM 0 HG13 ILE A 288 -0.860 -9.937 -12.017 1.00 0.00 H new ATOM 0 HG21 ILE A 288 -3.241 -10.289 -12.661 1.00 0.00 H new ATOM 0 HG22 ILE A 288 -3.781 -9.893 -14.310 1.00 0.00 H new ATOM 0 HG23 ILE A 288 -2.810 -11.356 -14.019 1.00 0.00 H new ATOM 0 HD11 ILE A 288 0.583 -11.796 -12.671 1.00 0.00 H new ATOM 0 HD12 ILE A 288 -1.102 -12.113 -13.149 1.00 0.00 H new ATOM 0 HD13 ILE A 288 0.087 -11.599 -14.369 1.00 0.00 H new ATOM 422 N SER A 289 -2.899 -8.169 -16.607 1.00 0.00 N ATOM 423 CA SER A 289 -4.041 -7.877 -17.476 1.00 0.00 C ATOM 424 C SER A 289 -4.213 -6.368 -17.630 1.00 0.00 C ATOM 425 O SER A 289 -3.692 -5.595 -16.827 1.00 0.00 O ATOM 426 CB SER A 289 -5.329 -8.496 -16.926 1.00 0.00 C ATOM 427 OG SER A 289 -5.144 -8.984 -15.612 1.00 0.00 O ATOM 0 H SER A 289 -2.438 -7.339 -16.234 1.00 0.00 H new ATOM 0 HA SER A 289 -3.841 -8.318 -18.453 1.00 0.00 H new ATOM 0 HB2 SER A 289 -6.124 -7.750 -16.931 1.00 0.00 H new ATOM 0 HB3 SER A 289 -5.651 -9.309 -17.576 1.00 0.00 H new ATOM 0 HG SER A 289 -6.004 -9.285 -15.251 1.00 0.00 H new ATOM 433 N PRO A 290 -4.951 -5.922 -18.662 1.00 0.00 N ATOM 434 CA PRO A 290 -5.181 -4.493 -18.902 1.00 0.00 C ATOM 435 C PRO A 290 -5.844 -3.799 -17.711 1.00 0.00 C ATOM 436 O PRO A 290 -5.968 -2.575 -17.686 1.00 0.00 O ATOM 437 CB PRO A 290 -6.105 -4.469 -20.129 1.00 0.00 C ATOM 438 CG PRO A 290 -6.665 -5.847 -20.232 1.00 0.00 C ATOM 439 CD PRO A 290 -5.615 -6.762 -19.669 1.00 0.00 C ATOM 0 HA PRO A 290 -4.245 -3.955 -19.055 1.00 0.00 H new ATOM 0 HB2 PRO A 290 -6.898 -3.731 -20.009 1.00 0.00 H new ATOM 0 HB3 PRO A 290 -5.554 -4.201 -21.030 1.00 0.00 H new ATOM 0 HG2 PRO A 290 -7.597 -5.932 -19.674 1.00 0.00 H new ATOM 0 HG3 PRO A 290 -6.889 -6.101 -21.268 1.00 0.00 H new ATOM 0 HD2 PRO A 290 -6.054 -7.655 -19.224 1.00 0.00 H new ATOM 0 HD3 PRO A 290 -4.919 -7.098 -20.437 1.00 0.00 H new ATOM 447 N GLU A 291 -6.267 -4.589 -16.726 1.00 0.00 N ATOM 448 CA GLU A 291 -6.915 -4.059 -15.534 1.00 0.00 C ATOM 449 C GLU A 291 -5.922 -3.863 -14.407 1.00 0.00 C ATOM 450 O GLU A 291 -5.993 -2.892 -13.662 1.00 0.00 O ATOM 451 CB GLU A 291 -8.014 -5.017 -15.085 1.00 0.00 C ATOM 452 CG GLU A 291 -9.393 -4.567 -15.500 1.00 0.00 C ATOM 453 CD GLU A 291 -10.500 -5.261 -14.725 1.00 0.00 C ATOM 454 OE1 GLU A 291 -10.435 -6.500 -14.574 1.00 0.00 O ATOM 455 OE2 GLU A 291 -11.433 -4.565 -14.271 1.00 0.00 O ATOM 0 H GLU A 291 -6.170 -5.604 -16.733 1.00 0.00 H new ATOM 0 HA GLU A 291 -7.343 -3.088 -15.782 1.00 0.00 H new ATOM 0 HB2 GLU A 291 -7.820 -6.005 -15.501 1.00 0.00 H new ATOM 0 HB3 GLU A 291 -7.981 -5.116 -14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 291 -9.476 -3.490 -15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 291 -9.527 -4.758 -16.565 1.00 0.00 H new ATOM 462 N ILE A 292 -5.004 -4.795 -14.290 1.00 0.00 N ATOM 463 CA ILE A 292 -3.987 -4.722 -13.239 1.00 0.00 C ATOM 464 C ILE A 292 -3.347 -3.356 -13.218 1.00 0.00 C ATOM 465 O ILE A 292 -3.204 -2.743 -12.161 1.00 0.00 O ATOM 466 CB ILE A 292 -2.901 -5.791 -13.397 1.00 0.00 C ATOM 467 CG1 ILE A 292 -3.531 -7.058 -13.951 1.00 0.00 C ATOM 468 CG2 ILE A 292 -2.209 -6.055 -12.058 1.00 0.00 C ATOM 469 CD1 ILE A 292 -4.721 -7.531 -13.149 1.00 0.00 C ATOM 0 H ILE A 292 -4.931 -5.610 -14.899 1.00 0.00 H new ATOM 0 HA ILE A 292 -4.500 -4.907 -12.295 1.00 0.00 H new ATOM 0 HB ILE A 292 -2.139 -5.441 -14.093 1.00 0.00 H new ATOM 0 HG12 ILE A 292 -3.842 -6.881 -14.981 1.00 0.00 H new ATOM 0 HG13 ILE A 292 -2.781 -7.848 -13.976 1.00 0.00 H new ATOM 0 HG21 ILE A 292 -1.441 -6.817 -12.189 1.00 0.00 H new ATOM 0 HG22 ILE A 292 -1.749 -5.134 -11.698 1.00 0.00 H new ATOM 0 HG23 ILE A 292 -2.943 -6.402 -11.331 1.00 0.00 H new ATOM 0 HD11 ILE A 292 -5.124 -8.439 -13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 292 -4.410 -7.739 -12.125 1.00 0.00 H new ATOM 0 HD13 ILE A 292 -5.488 -6.757 -13.145 1.00 0.00 H new ATOM 481 N GLY A 293 -2.997 -2.858 -14.392 1.00 0.00 N ATOM 482 CA GLY A 293 -2.413 -1.537 -14.457 1.00 0.00 C ATOM 483 C GLY A 293 -3.321 -0.531 -13.783 1.00 0.00 C ATOM 484 O GLY A 293 -2.863 0.437 -13.178 1.00 0.00 O ATOM 0 H GLY A 293 -3.104 -3.335 -15.287 1.00 0.00 H new ATOM 0 HA2 GLY A 293 -1.437 -1.539 -13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 293 -2.252 -1.253 -15.497 1.00 0.00 H new ATOM 488 N GLU A 294 -4.621 -0.793 -13.875 1.00 0.00 N ATOM 489 CA GLU A 294 -5.627 0.054 -13.264 1.00 0.00 C ATOM 490 C GLU A 294 -5.851 -0.352 -11.814 1.00 0.00 C ATOM 491 O GLU A 294 -6.171 0.483 -10.968 1.00 0.00 O ATOM 492 CB GLU A 294 -6.942 -0.042 -14.045 1.00 0.00 C ATOM 493 CG GLU A 294 -8.041 0.857 -13.502 1.00 0.00 C ATOM 494 CD GLU A 294 -9.410 0.496 -14.047 1.00 0.00 C ATOM 495 OE1 GLU A 294 -10.029 -0.453 -13.520 1.00 0.00 O ATOM 496 OE2 GLU A 294 -9.860 1.161 -15.002 1.00 0.00 O ATOM 0 H GLU A 294 -5.001 -1.597 -14.375 1.00 0.00 H new ATOM 0 HA GLU A 294 -5.275 1.085 -13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 294 -6.755 0.216 -15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 294 -7.289 -1.075 -14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 294 -8.057 0.789 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 294 -7.815 1.893 -13.753 1.00 0.00 H new ATOM 503 N ARG A 295 -5.679 -1.643 -11.533 1.00 0.00 N ATOM 504 CA ARG A 295 -5.867 -2.159 -10.190 1.00 0.00 C ATOM 505 C ARG A 295 -4.802 -1.623 -9.248 1.00 0.00 C ATOM 506 O ARG A 295 -5.112 -0.995 -8.242 1.00 0.00 O ATOM 507 CB ARG A 295 -5.824 -3.690 -10.191 1.00 0.00 C ATOM 508 CG ARG A 295 -6.962 -4.337 -10.967 1.00 0.00 C ATOM 509 CD ARG A 295 -7.196 -5.774 -10.526 1.00 0.00 C ATOM 510 NE ARG A 295 -8.220 -6.434 -11.337 1.00 0.00 N ATOM 511 CZ ARG A 295 -8.343 -7.756 -11.448 1.00 0.00 C ATOM 512 NH1 ARG A 295 -7.511 -8.562 -10.801 1.00 0.00 N ATOM 513 NH2 ARG A 295 -9.302 -8.272 -12.207 1.00 0.00 N ATOM 0 H ARG A 295 -5.410 -2.346 -12.222 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.845 -1.827 -9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.875 -4.017 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.851 -4.045 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.875 -3.759 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.735 -4.316 -12.033 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -6.262 -6.332 -10.596 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -7.498 -5.788 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 295 -8.879 -5.847 -11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -6.773 -8.170 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -7.609 -9.573 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -9.945 -7.656 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -9.396 -9.284 -12.292 1.00 0.00 H new ATOM 527 N VAL A 296 -3.545 -1.856 -9.578 1.00 0.00 N ATOM 528 CA VAL A 296 -2.462 -1.384 -8.737 1.00 0.00 C ATOM 529 C VAL A 296 -2.588 0.110 -8.457 1.00 0.00 C ATOM 530 O VAL A 296 -2.468 0.551 -7.314 1.00 0.00 O ATOM 531 CB VAL A 296 -1.094 -1.656 -9.357 1.00 0.00 C ATOM 532 CG1 VAL A 296 -0.018 -1.368 -8.330 1.00 0.00 C ATOM 533 CG2 VAL A 296 -1.000 -3.090 -9.869 1.00 0.00 C ATOM 0 H VAL A 296 -3.251 -2.363 -10.413 1.00 0.00 H new ATOM 0 HA VAL A 296 -2.540 -1.938 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 296 -0.951 -1.000 -10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 296 0.962 -1.560 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 296 -0.079 -0.324 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 296 -0.162 -2.012 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 296 -0.015 -3.257 -10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 296 -1.152 -3.783 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 296 -1.766 -3.257 -10.627 1.00 0.00 H new ATOM 543 N ARG A 297 -2.828 0.884 -9.505 1.00 0.00 N ATOM 544 CA ARG A 297 -2.971 2.324 -9.362 1.00 0.00 C ATOM 545 C ARG A 297 -4.178 2.657 -8.496 1.00 0.00 C ATOM 546 O ARG A 297 -4.105 3.525 -7.632 1.00 0.00 O ATOM 547 CB ARG A 297 -3.114 2.985 -10.739 1.00 0.00 C ATOM 548 CG ARG A 297 -3.139 4.506 -10.693 1.00 0.00 C ATOM 549 CD ARG A 297 -3.514 5.099 -12.042 1.00 0.00 C ATOM 550 NE ARG A 297 -3.088 6.493 -12.164 1.00 0.00 N ATOM 551 CZ ARG A 297 -2.961 7.129 -13.327 1.00 0.00 C ATOM 552 NH1 ARG A 297 -3.224 6.503 -14.467 1.00 0.00 N ATOM 553 NH2 ARG A 297 -2.568 8.396 -13.352 1.00 0.00 N ATOM 0 H ARG A 297 -2.927 0.540 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 297 -2.075 2.711 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -2.287 2.664 -11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -4.032 2.630 -11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -3.853 4.836 -9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -2.160 4.878 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -3.058 4.509 -12.837 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -4.594 5.036 -12.178 1.00 0.00 H new ATOM 0 HE ARG A 297 -2.876 7.007 -11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -3.526 5.529 -14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -3.125 6.996 -15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -2.363 8.884 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -2.471 8.882 -14.243 1.00 0.00 H new ATOM 567 N THR A 298 -5.285 1.947 -8.718 1.00 0.00 N ATOM 568 CA THR A 298 -6.499 2.180 -7.946 1.00 0.00 C ATOM 569 C THR A 298 -6.331 1.714 -6.503 1.00 0.00 C ATOM 570 O THR A 298 -6.960 2.256 -5.597 1.00 0.00 O ATOM 571 CB THR A 298 -7.708 1.496 -8.595 1.00 0.00 C ATOM 572 OG1 THR A 298 -8.927 1.968 -8.034 1.00 0.00 O ATOM 573 CG2 THR A 298 -7.700 -0.007 -8.458 1.00 0.00 C ATOM 0 H THR A 298 -5.363 1.212 -9.421 1.00 0.00 H new ATOM 0 HA THR A 298 -6.681 3.255 -7.938 1.00 0.00 H new ATOM 0 HB THR A 298 -7.635 1.750 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 298 -9.682 1.517 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 298 -8.585 -0.421 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 298 -6.806 -0.411 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 298 -7.703 -0.276 -7.402 1.00 0.00 H new ATOM 581 N LEU A 299 -5.491 0.705 -6.287 1.00 0.00 N ATOM 582 CA LEU A 299 -5.260 0.185 -4.946 1.00 0.00 C ATOM 583 C LEU A 299 -4.807 1.288 -3.999 1.00 0.00 C ATOM 584 O LEU A 299 -5.400 1.493 -2.939 1.00 0.00 O ATOM 585 CB LEU A 299 -4.200 -0.923 -4.979 1.00 0.00 C ATOM 586 CG LEU A 299 -4.564 -2.135 -5.831 1.00 0.00 C ATOM 587 CD1 LEU A 299 -3.422 -3.133 -5.916 1.00 0.00 C ATOM 588 CD2 LEU A 299 -5.782 -2.800 -5.259 1.00 0.00 C ATOM 0 H LEU A 299 -4.962 0.234 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 299 -6.203 -0.223 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -3.267 -0.502 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -4.013 -1.257 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 299 -4.769 -1.785 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -3.724 -3.980 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -2.551 -2.652 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -3.170 -3.484 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -6.043 -3.666 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -5.575 -3.122 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -6.614 -2.095 -5.256 1.00 0.00 H new ATOM 600 N VAL A 300 -3.731 1.975 -4.372 1.00 0.00 N ATOM 601 CA VAL A 300 -3.176 3.037 -3.543 1.00 0.00 C ATOM 602 C VAL A 300 -4.187 4.153 -3.323 1.00 0.00 C ATOM 603 O VAL A 300 -4.465 4.533 -2.185 1.00 0.00 O ATOM 604 CB VAL A 300 -1.894 3.622 -4.164 1.00 0.00 C ATOM 605 CG1 VAL A 300 -1.252 4.628 -3.221 1.00 0.00 C ATOM 606 CG2 VAL A 300 -0.918 2.508 -4.507 1.00 0.00 C ATOM 0 H VAL A 300 -3.227 1.814 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 300 -2.929 2.590 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 300 -2.161 4.142 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.348 5.030 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -1.951 5.441 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -0.996 4.135 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.016 2.936 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.657 1.961 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -1.380 1.827 -5.221 1.00 0.00 H new ATOM 616 N LEU A 301 -4.740 4.672 -4.414 1.00 0.00 N ATOM 617 CA LEU A 301 -5.723 5.740 -4.333 1.00 0.00 C ATOM 618 C LEU A 301 -6.962 5.269 -3.592 1.00 0.00 C ATOM 619 O LEU A 301 -7.625 6.055 -2.921 1.00 0.00 O ATOM 620 CB LEU A 301 -6.101 6.230 -5.729 1.00 0.00 C ATOM 621 CG LEU A 301 -5.047 7.108 -6.411 1.00 0.00 C ATOM 622 CD1 LEU A 301 -4.406 6.369 -7.574 1.00 0.00 C ATOM 623 CD2 LEU A 301 -5.665 8.416 -6.881 1.00 0.00 C ATOM 0 H LEU A 301 -4.523 4.369 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 301 -5.280 6.569 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -6.296 5.364 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -7.033 6.792 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 301 -4.269 7.339 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -3.660 7.009 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -3.926 5.461 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -5.171 6.106 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -4.902 9.027 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -6.464 8.206 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -6.073 8.954 -6.025 1.00 0.00 H new ATOM 635 N GLY A 302 -7.267 3.980 -3.705 1.00 0.00 N ATOM 636 CA GLY A 302 -8.422 3.442 -3.020 1.00 0.00 C ATOM 637 C GLY A 302 -8.202 3.402 -1.525 1.00 0.00 C ATOM 638 O GLY A 302 -9.002 3.926 -0.752 1.00 0.00 O ATOM 0 H GLY A 302 -6.737 3.304 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -9.298 4.051 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -8.630 2.437 -3.387 1.00 0.00 H new ATOM 642 N LEU A 303 -7.096 2.795 -1.121 1.00 0.00 N ATOM 643 CA LEU A 303 -6.738 2.688 0.286 1.00 0.00 C ATOM 644 C LEU A 303 -6.678 4.067 0.931 1.00 0.00 C ATOM 645 O LEU A 303 -7.206 4.276 2.023 1.00 0.00 O ATOM 646 CB LEU A 303 -5.390 1.975 0.401 1.00 0.00 C ATOM 647 CG LEU A 303 -4.698 2.055 1.763 1.00 0.00 C ATOM 648 CD1 LEU A 303 -4.670 0.684 2.426 1.00 0.00 C ATOM 649 CD2 LEU A 303 -3.286 2.601 1.601 1.00 0.00 C ATOM 0 H LEU A 303 -6.424 2.364 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 303 -7.498 2.111 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 303 -5.536 0.924 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 303 -4.718 2.390 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 303 -5.261 2.733 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 303 -4.174 0.758 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 303 -5.690 0.327 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 303 -4.125 -0.016 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 303 -2.802 2.654 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 303 -2.714 1.942 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 303 -3.330 3.598 1.163 1.00 0.00 H new ATOM 661 N VAL A 304 -6.039 5.007 0.248 1.00 0.00 N ATOM 662 CA VAL A 304 -5.922 6.360 0.761 1.00 0.00 C ATOM 663 C VAL A 304 -7.266 7.086 0.722 1.00 0.00 C ATOM 664 O VAL A 304 -7.536 7.967 1.537 1.00 0.00 O ATOM 665 CB VAL A 304 -4.869 7.168 -0.013 1.00 0.00 C ATOM 666 CG1 VAL A 304 -5.269 7.307 -1.464 1.00 0.00 C ATOM 667 CG2 VAL A 304 -4.661 8.532 0.621 1.00 0.00 C ATOM 0 H VAL A 304 -5.596 4.856 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 304 -5.599 6.279 1.799 1.00 0.00 H new ATOM 0 HB VAL A 304 -3.923 6.628 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -4.512 7.882 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -5.357 6.318 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -6.228 7.821 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -3.911 9.085 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -5.601 9.084 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -4.321 8.407 1.649 1.00 0.00 H new ATOM 677 N ASN A 305 -8.118 6.701 -0.222 1.00 0.00 N ATOM 678 CA ASN A 305 -9.437 7.314 -0.352 1.00 0.00 C ATOM 679 C ASN A 305 -10.414 6.784 0.702 1.00 0.00 C ATOM 680 O ASN A 305 -11.616 7.028 0.615 1.00 0.00 O ATOM 681 CB ASN A 305 -10.000 7.051 -1.749 1.00 0.00 C ATOM 682 CG ASN A 305 -9.993 8.292 -2.619 1.00 0.00 C ATOM 683 OD1 ASN A 305 -10.999 8.628 -3.244 1.00 0.00 O ATOM 684 ND2 ASN A 305 -8.856 8.977 -2.671 1.00 0.00 N ATOM 0 H ASN A 305 -7.921 5.971 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 305 -9.319 8.386 -0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 305 -9.414 6.269 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 305 -11.020 6.678 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 305 -8.793 9.818 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 305 -8.046 8.662 -2.136 1.00 0.00 H new ATOM 691 N SER A 306 -9.901 6.051 1.692 1.00 0.00 N ATOM 692 CA SER A 306 -10.745 5.491 2.745 1.00 0.00 C ATOM 693 C SER A 306 -11.735 4.469 2.184 1.00 0.00 C ATOM 694 O SER A 306 -12.631 4.010 2.894 1.00 0.00 O ATOM 695 CB SER A 306 -11.508 6.605 3.464 1.00 0.00 C ATOM 696 OG SER A 306 -10.975 6.839 4.755 1.00 0.00 O ATOM 0 H SER A 306 -8.909 5.833 1.785 1.00 0.00 H new ATOM 0 HA SER A 306 -10.092 4.982 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 306 -11.459 7.521 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 306 -12.561 6.334 3.546 1.00 0.00 H new ATOM 0 HG SER A 306 -11.479 7.557 5.192 1.00 0.00 H new ATOM 702 N THR A 307 -11.570 4.112 0.911 1.00 0.00 N ATOM 703 CA THR A 307 -12.450 3.146 0.268 1.00 0.00 C ATOM 704 C THR A 307 -11.857 1.739 0.312 1.00 0.00 C ATOM 705 O THR A 307 -12.501 0.772 -0.093 1.00 0.00 O ATOM 706 CB THR A 307 -12.722 3.557 -1.183 1.00 0.00 C ATOM 707 OG1 THR A 307 -13.613 2.648 -1.802 1.00 0.00 O ATOM 708 CG2 THR A 307 -11.472 3.627 -2.036 1.00 0.00 C ATOM 0 H THR A 307 -10.834 4.479 0.307 1.00 0.00 H new ATOM 0 HA THR A 307 -13.391 3.134 0.818 1.00 0.00 H new ATOM 0 HB THR A 307 -13.153 4.556 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 307 -13.601 1.797 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 307 -11.740 3.924 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 307 -10.784 4.359 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 307 -10.992 2.649 -2.059 1.00 0.00 H new ATOM 716 N LEU A 308 -10.630 1.628 0.810 1.00 0.00 N ATOM 717 CA LEU A 308 -9.962 0.338 0.909 1.00 0.00 C ATOM 718 C LEU A 308 -9.609 0.032 2.363 1.00 0.00 C ATOM 719 O LEU A 308 -10.196 0.586 3.292 1.00 0.00 O ATOM 720 CB LEU A 308 -8.700 0.320 0.034 1.00 0.00 C ATOM 721 CG LEU A 308 -8.592 -0.830 -0.973 1.00 0.00 C ATOM 722 CD1 LEU A 308 -7.842 -0.374 -2.217 1.00 0.00 C ATOM 723 CD2 LEU A 308 -7.895 -2.035 -0.352 1.00 0.00 C ATOM 0 H LEU A 308 -10.079 2.416 1.151 1.00 0.00 H new ATOM 0 HA LEU A 308 -10.642 -0.434 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -8.649 1.261 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -7.829 0.285 0.689 1.00 0.00 H new ATOM 0 HG LEU A 308 -9.601 -1.128 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -7.773 -1.201 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -8.376 0.455 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -6.839 -0.050 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -7.831 -2.837 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 308 -6.891 -1.752 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 308 -8.464 -2.379 0.512 1.00 0.00 H new ATOM 735 N THR A 309 -8.643 -0.852 2.542 1.00 0.00 N ATOM 736 CA THR A 309 -8.183 -1.254 3.850 1.00 0.00 C ATOM 737 C THR A 309 -6.819 -1.899 3.724 1.00 0.00 C ATOM 738 O THR A 309 -6.459 -2.419 2.672 1.00 0.00 O ATOM 739 CB THR A 309 -9.165 -2.236 4.496 1.00 0.00 C ATOM 740 OG1 THR A 309 -9.961 -2.885 3.514 1.00 0.00 O ATOM 741 CG2 THR A 309 -10.097 -1.583 5.493 1.00 0.00 C ATOM 0 H THR A 309 -8.155 -1.312 1.774 1.00 0.00 H new ATOM 0 HA THR A 309 -8.117 -0.371 4.485 1.00 0.00 H new ATOM 0 HB THR A 309 -8.540 -2.955 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 309 -10.578 -3.508 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 309 -10.766 -2.335 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 309 -9.513 -1.129 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 309 -10.685 -0.814 4.992 1.00 0.00 H new ATOM 749 N ILE A 310 -6.074 -1.873 4.801 1.00 0.00 N ATOM 750 CA ILE A 310 -4.757 -2.457 4.827 1.00 0.00 C ATOM 751 C ILE A 310 -4.820 -3.939 4.510 1.00 0.00 C ATOM 752 O ILE A 310 -4.141 -4.426 3.608 1.00 0.00 O ATOM 753 CB ILE A 310 -4.148 -2.219 6.211 1.00 0.00 C ATOM 754 CG1 ILE A 310 -3.247 -0.996 6.147 1.00 0.00 C ATOM 755 CG2 ILE A 310 -3.422 -3.446 6.761 1.00 0.00 C ATOM 756 CD1 ILE A 310 -3.660 0.056 7.140 1.00 0.00 C ATOM 0 H ILE A 310 -6.363 -1.448 5.682 1.00 0.00 H new ATOM 0 HA ILE A 310 -4.131 -1.990 4.067 1.00 0.00 H new ATOM 0 HB ILE A 310 -4.956 -2.033 6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -2.216 -1.294 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -3.274 -0.577 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -3.012 -3.216 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -4.123 -4.276 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -2.612 -3.723 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -2.991 0.913 7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -4.682 0.373 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -3.607 -0.355 8.148 1.00 0.00 H new ATOM 768 N GLU A 311 -5.635 -4.646 5.271 1.00 0.00 N ATOM 769 CA GLU A 311 -5.797 -6.077 5.089 1.00 0.00 C ATOM 770 C GLU A 311 -6.237 -6.391 3.665 1.00 0.00 C ATOM 771 O GLU A 311 -5.888 -7.430 3.121 1.00 0.00 O ATOM 772 CB GLU A 311 -6.819 -6.621 6.084 1.00 0.00 C ATOM 773 CG GLU A 311 -6.558 -6.182 7.516 1.00 0.00 C ATOM 774 CD GLU A 311 -7.416 -6.926 8.520 1.00 0.00 C ATOM 775 OE1 GLU A 311 -8.565 -7.274 8.177 1.00 0.00 O ATOM 776 OE2 GLU A 311 -6.939 -7.158 9.650 1.00 0.00 O ATOM 0 H GLU A 311 -6.197 -4.250 6.024 1.00 0.00 H new ATOM 0 HA GLU A 311 -4.835 -6.558 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 311 -7.815 -6.293 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 311 -6.815 -7.710 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 311 -5.506 -6.340 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 311 -6.747 -5.112 7.604 1.00 0.00 H new ATOM 783 N GLU A 312 -7.008 -5.482 3.073 1.00 0.00 N ATOM 784 CA GLU A 312 -7.509 -5.652 1.713 1.00 0.00 C ATOM 785 C GLU A 312 -6.444 -5.287 0.683 1.00 0.00 C ATOM 786 O GLU A 312 -6.184 -6.040 -0.253 1.00 0.00 O ATOM 787 CB GLU A 312 -8.758 -4.792 1.498 1.00 0.00 C ATOM 788 CG GLU A 312 -10.020 -5.399 2.086 1.00 0.00 C ATOM 789 CD GLU A 312 -10.434 -6.676 1.381 1.00 0.00 C ATOM 790 OE1 GLU A 312 -11.110 -6.585 0.335 1.00 0.00 O ATOM 791 OE2 GLU A 312 -10.080 -7.767 1.876 1.00 0.00 O ATOM 0 H GLU A 312 -7.301 -4.613 3.519 1.00 0.00 H new ATOM 0 HA GLU A 312 -7.768 -6.702 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -8.595 -3.811 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -8.903 -4.637 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -9.860 -5.607 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -10.831 -4.674 2.023 1.00 0.00 H new ATOM 798 N PHE A 313 -5.844 -4.118 0.863 1.00 0.00 N ATOM 799 CA PHE A 313 -4.813 -3.622 -0.042 1.00 0.00 C ATOM 800 C PHE A 313 -3.712 -4.656 -0.254 1.00 0.00 C ATOM 801 O PHE A 313 -3.468 -5.089 -1.377 1.00 0.00 O ATOM 802 CB PHE A 313 -4.226 -2.322 0.521 1.00 0.00 C ATOM 803 CG PHE A 313 -3.237 -1.646 -0.385 1.00 0.00 C ATOM 804 CD1 PHE A 313 -3.668 -0.815 -1.406 1.00 0.00 C ATOM 805 CD2 PHE A 313 -1.874 -1.834 -0.212 1.00 0.00 C ATOM 806 CE1 PHE A 313 -2.757 -0.188 -2.234 1.00 0.00 C ATOM 807 CE2 PHE A 313 -0.963 -1.206 -1.040 1.00 0.00 C ATOM 808 CZ PHE A 313 -1.407 -0.382 -2.053 1.00 0.00 C ATOM 0 H PHE A 313 -6.056 -3.488 1.637 1.00 0.00 H new ATOM 0 HA PHE A 313 -5.268 -3.427 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 313 -5.042 -1.630 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 313 -3.740 -2.539 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 313 -4.726 -0.656 -1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 313 -1.520 -2.479 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 313 -3.106 0.457 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 313 0.096 -1.360 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 313 -0.697 0.109 -2.702 1.00 0.00 H new ATOM 818 N HIS A 314 -3.048 -5.051 0.823 1.00 0.00 N ATOM 819 CA HIS A 314 -1.969 -6.030 0.733 1.00 0.00 C ATOM 820 C HIS A 314 -2.481 -7.373 0.232 1.00 0.00 C ATOM 821 O HIS A 314 -1.796 -8.078 -0.507 1.00 0.00 O ATOM 822 CB HIS A 314 -1.310 -6.209 2.094 1.00 0.00 C ATOM 823 CG HIS A 314 -0.181 -7.190 2.095 1.00 0.00 C ATOM 824 ND1 HIS A 314 -0.083 -8.222 3.003 1.00 0.00 N ATOM 825 CD2 HIS A 314 0.917 -7.277 1.310 1.00 0.00 C ATOM 826 CE1 HIS A 314 1.028 -8.897 2.782 1.00 0.00 C ATOM 827 NE2 HIS A 314 1.653 -8.347 1.759 1.00 0.00 N ATOM 0 H HIS A 314 -3.235 -4.712 1.767 1.00 0.00 H new ATOM 0 HA HIS A 314 -1.236 -5.655 0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 314 -0.940 -5.243 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 314 -2.063 -6.535 2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 314 1.168 -6.627 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 314 1.368 -9.755 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 314 2.539 -8.664 1.365 1.00 0.00 H new ATOM 836 N SER A 315 -3.685 -7.723 0.655 1.00 0.00 N ATOM 837 CA SER A 315 -4.300 -8.989 0.271 1.00 0.00 C ATOM 838 C SER A 315 -4.647 -9.020 -1.213 1.00 0.00 C ATOM 839 O SER A 315 -4.363 -9.996 -1.906 1.00 0.00 O ATOM 840 CB SER A 315 -5.565 -9.214 1.093 1.00 0.00 C ATOM 841 OG SER A 315 -5.422 -10.327 1.960 1.00 0.00 O ATOM 0 H SER A 315 -4.261 -7.146 1.268 1.00 0.00 H new ATOM 0 HA SER A 315 -3.579 -9.783 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 315 -5.786 -8.321 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 315 -6.411 -9.376 0.426 1.00 0.00 H new ATOM 0 HG SER A 315 -6.246 -10.448 2.476 1.00 0.00 H new ATOM 847 N LYS A 316 -5.280 -7.955 -1.687 1.00 0.00 N ATOM 848 CA LYS A 316 -5.686 -7.863 -3.077 1.00 0.00 C ATOM 849 C LYS A 316 -4.512 -7.475 -3.971 1.00 0.00 C ATOM 850 O LYS A 316 -4.324 -8.048 -5.040 1.00 0.00 O ATOM 851 CB LYS A 316 -6.828 -6.858 -3.222 1.00 0.00 C ATOM 852 CG LYS A 316 -7.463 -6.847 -4.602 1.00 0.00 C ATOM 853 CD LYS A 316 -7.165 -5.545 -5.314 1.00 0.00 C ATOM 854 CE LYS A 316 -8.328 -4.562 -5.223 1.00 0.00 C ATOM 855 NZ LYS A 316 -8.442 -3.692 -6.432 1.00 0.00 N ATOM 0 H LYS A 316 -5.523 -7.140 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 316 -6.035 -8.845 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -7.595 -7.084 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -6.452 -5.860 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.085 -7.684 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -8.541 -6.981 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -6.273 -5.092 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -6.943 -5.748 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -9.257 -5.116 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -8.201 -3.936 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -8.414 -2.693 -6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -7.651 -3.889 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -9.341 -3.888 -6.917 1.00 0.00 H new ATOM 869 N LEU A 317 -3.723 -6.494 -3.540 1.00 0.00 N ATOM 870 CA LEU A 317 -2.580 -6.056 -4.328 1.00 0.00 C ATOM 871 C LEU A 317 -1.684 -7.232 -4.687 1.00 0.00 C ATOM 872 O LEU A 317 -1.271 -7.374 -5.836 1.00 0.00 O ATOM 873 CB LEU A 317 -1.773 -5.002 -3.575 1.00 0.00 C ATOM 874 CG LEU A 317 -0.931 -4.077 -4.450 1.00 0.00 C ATOM 875 CD1 LEU A 317 -1.072 -2.644 -3.974 1.00 0.00 C ATOM 876 CD2 LEU A 317 0.531 -4.495 -4.427 1.00 0.00 C ATOM 0 H LEU A 317 -3.853 -5.994 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 317 -2.963 -5.615 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -2.460 -4.393 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -1.113 -5.508 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 317 -1.291 -4.150 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -0.468 -1.990 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -2.117 -2.342 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -0.732 -2.569 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 317 1.112 -3.822 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 317 0.906 -4.449 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 317 0.624 -5.514 -4.802 1.00 0.00 H new ATOM 888 N GLN A 318 -1.387 -8.081 -3.699 1.00 0.00 N ATOM 889 CA GLN A 318 -0.531 -9.244 -3.927 1.00 0.00 C ATOM 890 C GLN A 318 -1.006 -10.031 -5.148 1.00 0.00 C ATOM 891 O GLN A 318 -0.217 -10.709 -5.805 1.00 0.00 O ATOM 892 CB GLN A 318 -0.488 -10.145 -2.689 1.00 0.00 C ATOM 893 CG GLN A 318 -1.809 -10.818 -2.386 1.00 0.00 C ATOM 894 CD GLN A 318 -1.767 -12.309 -2.628 1.00 0.00 C ATOM 895 OE1 GLN A 318 -1.006 -13.040 -1.994 1.00 0.00 O ATOM 896 NE2 GLN A 318 -2.591 -12.758 -3.556 1.00 0.00 N ATOM 0 H GLN A 318 -1.725 -7.985 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 318 0.480 -8.886 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 318 0.276 -10.909 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 318 -0.186 -9.550 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 318 -2.080 -10.629 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 318 -2.589 -10.375 -3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 318 -3.202 -12.109 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 318 -2.617 -13.754 -3.776 1.00 0.00 H new ATOM 905 N GLU A 319 -2.300 -9.919 -5.458 1.00 0.00 N ATOM 906 CA GLU A 319 -2.874 -10.602 -6.616 1.00 0.00 C ATOM 907 C GLU A 319 -2.487 -9.887 -7.904 1.00 0.00 C ATOM 908 O GLU A 319 -1.970 -10.508 -8.834 1.00 0.00 O ATOM 909 CB GLU A 319 -4.399 -10.669 -6.511 1.00 0.00 C ATOM 910 CG GLU A 319 -4.894 -11.792 -5.620 1.00 0.00 C ATOM 911 CD GLU A 319 -5.784 -12.784 -6.341 1.00 0.00 C ATOM 912 OE1 GLU A 319 -6.906 -12.401 -6.733 1.00 0.00 O ATOM 913 OE2 GLU A 319 -5.359 -13.947 -6.510 1.00 0.00 O ATOM 0 H GLU A 319 -2.967 -9.363 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 319 -2.476 -11.617 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -4.771 -9.719 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.819 -10.795 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -4.036 -12.320 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -5.443 -11.365 -4.781 1.00 0.00 H new ATOM 920 N ALA A 320 -2.746 -8.580 -7.957 1.00 0.00 N ATOM 921 CA ALA A 320 -2.431 -7.782 -9.138 1.00 0.00 C ATOM 922 C ALA A 320 -0.930 -7.679 -9.348 1.00 0.00 C ATOM 923 O ALA A 320 -0.456 -7.727 -10.479 1.00 0.00 O ATOM 924 CB ALA A 320 -3.036 -6.390 -9.018 1.00 0.00 C ATOM 0 H ALA A 320 -3.173 -8.053 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 320 -2.864 -8.284 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -2.791 -5.809 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -4.119 -6.471 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -2.632 -5.892 -8.137 1.00 0.00 H new ATOM 930 N THR A 321 -0.191 -7.541 -8.251 1.00 0.00 N ATOM 931 CA THR A 321 1.265 -7.435 -8.312 1.00 0.00 C ATOM 932 C THR A 321 1.897 -8.794 -8.632 1.00 0.00 C ATOM 933 O THR A 321 3.108 -8.897 -8.807 1.00 0.00 O ATOM 934 CB THR A 321 1.806 -6.899 -6.983 1.00 0.00 C ATOM 935 OG1 THR A 321 3.205 -6.736 -7.044 1.00 0.00 O ATOM 936 CG2 THR A 321 1.514 -7.802 -5.814 1.00 0.00 C ATOM 0 H THR A 321 -0.576 -7.500 -7.307 1.00 0.00 H new ATOM 0 HA THR A 321 1.528 -6.741 -9.110 1.00 0.00 H new ATOM 0 HB THR A 321 1.298 -5.947 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 321 3.421 -5.782 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 321 1.924 -7.364 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 321 0.436 -7.920 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 321 1.970 -8.777 -5.985 1.00 0.00 H new ATOM 1049 N PHE A 328 5.185 -9.302 5.634 1.00 0.00 N ATOM 1050 CA PHE A 328 5.338 -8.310 6.696 1.00 0.00 C ATOM 1051 C PHE A 328 5.233 -6.887 6.155 1.00 0.00 C ATOM 1052 O PHE A 328 5.503 -5.925 6.874 1.00 0.00 O ATOM 1053 CB PHE A 328 6.677 -8.490 7.411 1.00 0.00 C ATOM 1054 CG PHE A 328 6.711 -7.880 8.786 1.00 0.00 C ATOM 1055 CD1 PHE A 328 6.147 -8.542 9.866 1.00 0.00 C ATOM 1056 CD2 PHE A 328 7.310 -6.648 8.998 1.00 0.00 C ATOM 1057 CE1 PHE A 328 6.180 -7.985 11.132 1.00 0.00 C ATOM 1058 CE2 PHE A 328 7.345 -6.087 10.261 1.00 0.00 C ATOM 1059 CZ PHE A 328 6.780 -6.756 11.329 1.00 0.00 C ATOM 0 HA PHE A 328 4.526 -8.467 7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 328 6.898 -9.555 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 328 7.466 -8.044 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 328 5.677 -9.503 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 328 7.754 -6.120 8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 328 5.737 -8.510 11.965 1.00 0.00 H new ATOM 0 HE2 PHE A 328 7.814 -5.126 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 328 6.807 -6.319 12.316 1.00 0.00 H new ATOM 1069 N VAL A 329 4.848 -6.753 4.889 1.00 0.00 N ATOM 1070 CA VAL A 329 4.700 -5.446 4.269 1.00 0.00 C ATOM 1071 C VAL A 329 3.372 -4.794 4.653 1.00 0.00 C ATOM 1072 O VAL A 329 3.272 -3.571 4.741 1.00 0.00 O ATOM 1073 CB VAL A 329 4.798 -5.537 2.730 1.00 0.00 C ATOM 1074 CG1 VAL A 329 3.680 -6.397 2.152 1.00 0.00 C ATOM 1075 CG2 VAL A 329 4.776 -4.149 2.112 1.00 0.00 C ATOM 0 H VAL A 329 4.633 -7.538 4.274 1.00 0.00 H new ATOM 0 HA VAL A 329 5.518 -4.828 4.640 1.00 0.00 H new ATOM 0 HB VAL A 329 5.747 -6.014 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 329 3.778 -6.440 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 329 3.746 -7.404 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 329 2.715 -5.962 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 329 4.846 -4.232 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 329 3.846 -3.647 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 329 5.621 -3.571 2.487 1.00 0.00 H new ATOM 1085 N ILE A 330 2.345 -5.621 4.849 1.00 0.00 N ATOM 1086 CA ILE A 330 1.013 -5.127 5.184 1.00 0.00 C ATOM 1087 C ILE A 330 1.011 -4.218 6.410 1.00 0.00 C ATOM 1088 O ILE A 330 0.242 -3.262 6.462 1.00 0.00 O ATOM 1089 CB ILE A 330 0.004 -6.292 5.373 1.00 0.00 C ATOM 1090 CG1 ILE A 330 -1.438 -5.809 5.198 1.00 0.00 C ATOM 1091 CG2 ILE A 330 0.154 -6.985 6.722 1.00 0.00 C ATOM 1092 CD1 ILE A 330 -2.436 -6.940 5.213 1.00 0.00 C ATOM 0 H ILE A 330 2.412 -6.637 4.781 1.00 0.00 H new ATOM 0 HA ILE A 330 0.693 -4.524 4.334 1.00 0.00 H new ATOM 0 HB ILE A 330 0.235 -7.022 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 330 -1.680 -5.105 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 330 -1.524 -5.267 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 330 -0.576 -7.791 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.160 -7.396 6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -0.014 -6.264 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -3.442 -6.540 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -2.215 -7.631 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -2.374 -7.467 6.165 1.00 0.00 H new ATOM 1104 N PRO A 331 1.853 -4.495 7.420 1.00 0.00 N ATOM 1105 CA PRO A 331 1.906 -3.685 8.633 1.00 0.00 C ATOM 1106 C PRO A 331 2.579 -2.342 8.413 1.00 0.00 C ATOM 1107 O PRO A 331 2.190 -1.342 9.015 1.00 0.00 O ATOM 1108 CB PRO A 331 2.708 -4.545 9.623 1.00 0.00 C ATOM 1109 CG PRO A 331 2.857 -5.876 8.962 1.00 0.00 C ATOM 1110 CD PRO A 331 2.801 -5.606 7.490 1.00 0.00 C ATOM 0 HA PRO A 331 0.906 -3.438 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 331 3.680 -4.099 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 331 2.187 -4.636 10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 331 3.801 -6.347 9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 331 2.061 -6.555 9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.777 -5.335 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.454 -6.474 6.929 1.00 0.00 H new ATOM 1118 N PHE A 332 3.577 -2.309 7.552 1.00 0.00 N ATOM 1119 CA PHE A 332 4.276 -1.068 7.272 1.00 0.00 C ATOM 1120 C PHE A 332 3.306 -0.018 6.731 1.00 0.00 C ATOM 1121 O PHE A 332 3.255 1.107 7.230 1.00 0.00 O ATOM 1122 CB PHE A 332 5.418 -1.341 6.298 1.00 0.00 C ATOM 1123 CG PHE A 332 5.424 -0.487 5.065 1.00 0.00 C ATOM 1124 CD1 PHE A 332 5.988 0.773 5.092 1.00 0.00 C ATOM 1125 CD2 PHE A 332 4.899 -0.961 3.875 1.00 0.00 C ATOM 1126 CE1 PHE A 332 6.032 1.549 3.954 1.00 0.00 C ATOM 1127 CE2 PHE A 332 4.934 -0.186 2.732 1.00 0.00 C ATOM 1128 CZ PHE A 332 5.507 1.071 2.771 1.00 0.00 C ATOM 0 H PHE A 332 3.921 -3.120 7.037 1.00 0.00 H new ATOM 0 HA PHE A 332 4.700 -0.668 8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 332 6.363 -1.200 6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 332 5.374 -2.387 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 332 6.399 1.155 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 332 4.458 -1.946 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 332 6.478 2.532 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 332 4.515 -0.561 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 332 5.544 1.677 1.878 1.00 0.00 H new ATOM 1138 N LEU A 333 2.532 -0.400 5.720 1.00 0.00 N ATOM 1139 CA LEU A 333 1.556 0.504 5.126 1.00 0.00 C ATOM 1140 C LEU A 333 0.618 1.070 6.193 1.00 0.00 C ATOM 1141 O LEU A 333 0.213 2.226 6.123 1.00 0.00 O ATOM 1142 CB LEU A 333 0.754 -0.206 4.033 1.00 0.00 C ATOM 1143 CG LEU A 333 0.380 0.670 2.834 1.00 0.00 C ATOM 1144 CD1 LEU A 333 -0.523 -0.095 1.882 1.00 0.00 C ATOM 1145 CD2 LEU A 333 -0.298 1.950 3.296 1.00 0.00 C ATOM 0 H LEU A 333 2.562 -1.327 5.296 1.00 0.00 H new ATOM 0 HA LEU A 333 2.099 1.333 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 333 1.331 -1.059 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -0.161 -0.603 4.474 1.00 0.00 H new ATOM 0 HG LEU A 333 1.295 0.939 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.780 0.541 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -0.004 -0.984 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -1.433 -0.391 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -0.556 2.559 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -1.205 1.703 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.380 2.508 3.942 1.00 0.00 H new ATOM 1157 N LYS A 334 0.287 0.248 7.187 1.00 0.00 N ATOM 1158 CA LYS A 334 -0.606 0.675 8.274 1.00 0.00 C ATOM 1159 C LYS A 334 0.022 1.782 9.105 1.00 0.00 C ATOM 1160 O LYS A 334 -0.657 2.718 9.524 1.00 0.00 O ATOM 1161 CB LYS A 334 -0.957 -0.498 9.197 1.00 0.00 C ATOM 1162 CG LYS A 334 -1.169 -1.801 8.455 1.00 0.00 C ATOM 1163 CD LYS A 334 -1.654 -2.926 9.351 1.00 0.00 C ATOM 1164 CE LYS A 334 -0.620 -3.287 10.399 1.00 0.00 C ATOM 1165 NZ LYS A 334 -1.238 -3.726 11.672 1.00 0.00 N ATOM 0 H LYS A 334 0.619 -0.713 7.267 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.515 1.051 7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -0.158 -0.629 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -1.861 -0.254 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -1.894 -1.643 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -0.233 -2.099 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -2.581 -2.628 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -1.881 -3.803 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 334 0.020 -4.082 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 334 0.020 -2.425 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -0.492 -3.962 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -1.829 -2.960 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -1.828 -4.565 11.500 1.00 0.00 H new ATOM 1179 N ALA A 335 1.319 1.655 9.356 1.00 0.00 N ATOM 1180 CA ALA A 335 2.044 2.630 10.155 1.00 0.00 C ATOM 1181 C ALA A 335 2.209 3.941 9.410 1.00 0.00 C ATOM 1182 O ALA A 335 2.062 5.017 9.987 1.00 0.00 O ATOM 1183 CB ALA A 335 3.407 2.081 10.544 1.00 0.00 C ATOM 0 H ALA A 335 1.891 0.882 9.015 1.00 0.00 H new ATOM 0 HA ALA A 335 1.462 2.822 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.940 2.820 11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 335 3.279 1.168 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.981 1.860 9.644 1.00 0.00 H new ATOM 1189 N ASN A 336 2.536 3.852 8.135 1.00 0.00 N ATOM 1190 CA ASN A 336 2.739 5.047 7.338 1.00 0.00 C ATOM 1191 C ASN A 336 1.441 5.534 6.698 1.00 0.00 C ATOM 1192 O ASN A 336 1.394 6.631 6.140 1.00 0.00 O ATOM 1193 CB ASN A 336 3.799 4.822 6.254 1.00 0.00 C ATOM 1194 CG ASN A 336 4.145 3.370 6.017 1.00 0.00 C ATOM 1195 OD1 ASN A 336 5.059 2.822 6.638 1.00 0.00 O ATOM 1196 ND2 ASN A 336 3.409 2.741 5.120 1.00 0.00 N ATOM 0 H ASN A 336 2.666 2.974 7.632 1.00 0.00 H new ATOM 0 HA ASN A 336 3.093 5.819 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 336 3.444 5.257 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 336 4.706 5.359 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 336 3.585 1.758 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 336 2.664 3.238 4.632 1.00 0.00 H new ATOM 1203 N LEU A 337 0.395 4.717 6.767 1.00 0.00 N ATOM 1204 CA LEU A 337 -0.891 5.073 6.178 1.00 0.00 C ATOM 1205 C LEU A 337 -1.403 6.436 6.664 1.00 0.00 C ATOM 1206 O LEU A 337 -1.895 7.239 5.872 1.00 0.00 O ATOM 1207 CB LEU A 337 -1.930 3.994 6.471 1.00 0.00 C ATOM 1208 CG LEU A 337 -3.214 4.124 5.663 1.00 0.00 C ATOM 1209 CD1 LEU A 337 -3.827 2.763 5.423 1.00 0.00 C ATOM 1210 CD2 LEU A 337 -4.206 5.032 6.367 1.00 0.00 C ATOM 0 H LEU A 337 0.412 3.805 7.224 1.00 0.00 H new ATOM 0 HA LEU A 337 -0.735 5.147 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -1.488 3.017 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -2.178 4.023 7.532 1.00 0.00 H new ATOM 0 HG LEU A 337 -2.965 4.570 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -4.744 2.874 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -3.123 2.139 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -4.056 2.293 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 337 -5.115 5.109 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 337 -4.448 4.617 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -3.768 6.022 6.491 1.00 0.00 H new ATOM 1222 N PRO A 338 -1.313 6.712 7.975 1.00 0.00 N ATOM 1223 CA PRO A 338 -1.789 7.978 8.551 1.00 0.00 C ATOM 1224 C PRO A 338 -1.199 9.206 7.863 1.00 0.00 C ATOM 1225 O PRO A 338 -1.874 10.223 7.704 1.00 0.00 O ATOM 1226 CB PRO A 338 -1.318 7.900 10.004 1.00 0.00 C ATOM 1227 CG PRO A 338 -1.211 6.443 10.287 1.00 0.00 C ATOM 1228 CD PRO A 338 -0.761 5.812 9.001 1.00 0.00 C ATOM 0 HA PRO A 338 -2.867 8.092 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 338 -0.359 8.401 10.137 1.00 0.00 H new ATOM 0 HB3 PRO A 338 -2.026 8.383 10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 338 -0.497 6.251 11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 338 -2.169 6.035 10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 338 0.326 5.751 8.941 1.00 0.00 H new ATOM 0 HD3 PRO A 338 -1.144 4.797 8.895 1.00 0.00 H new ATOM 1236 N LEU A 339 0.060 9.112 7.470 1.00 0.00 N ATOM 1237 CA LEU A 339 0.739 10.218 6.814 1.00 0.00 C ATOM 1238 C LEU A 339 0.274 10.371 5.365 1.00 0.00 C ATOM 1239 O LEU A 339 0.056 11.478 4.872 1.00 0.00 O ATOM 1240 CB LEU A 339 2.252 9.971 6.850 1.00 0.00 C ATOM 1241 CG LEU A 339 2.911 9.843 8.247 1.00 0.00 C ATOM 1242 CD1 LEU A 339 4.323 10.440 8.252 1.00 0.00 C ATOM 1243 CD2 LEU A 339 2.090 10.488 9.352 1.00 0.00 C ATOM 0 H LEU A 339 0.635 8.279 7.594 1.00 0.00 H new ATOM 0 HA LEU A 339 0.497 11.139 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 339 2.459 9.058 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 339 2.741 10.787 6.318 1.00 0.00 H new ATOM 0 HG LEU A 339 2.964 8.774 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 339 4.759 10.335 9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 339 4.943 9.914 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 339 4.272 11.496 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 339 2.603 10.365 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 339 1.966 11.550 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 339 1.111 10.012 9.403 1.00 0.00 H new ATOM 1255 N LEU A 340 0.146 9.249 4.684 1.00 0.00 N ATOM 1256 CA LEU A 340 -0.267 9.245 3.282 1.00 0.00 C ATOM 1257 C LEU A 340 -1.757 9.524 3.111 1.00 0.00 C ATOM 1258 O LEU A 340 -2.165 10.188 2.163 1.00 0.00 O ATOM 1259 CB LEU A 340 0.073 7.900 2.642 1.00 0.00 C ATOM 1260 CG LEU A 340 -0.299 6.687 3.486 1.00 0.00 C ATOM 1261 CD1 LEU A 340 -1.691 6.186 3.142 1.00 0.00 C ATOM 1262 CD2 LEU A 340 0.729 5.588 3.318 1.00 0.00 C ATOM 0 H LEU A 340 0.321 8.323 5.074 1.00 0.00 H new ATOM 0 HA LEU A 340 0.278 10.048 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 340 -0.438 7.829 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 340 1.143 7.870 2.437 1.00 0.00 H new ATOM 0 HG LEU A 340 -0.307 6.992 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 340 -1.929 5.320 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 340 -2.418 6.976 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 340 -1.726 5.902 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 340 0.447 4.730 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 340 0.775 5.290 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 340 1.706 5.953 3.634 1.00 0.00 H new ATOM 1274 N GLN A 341 -2.571 8.981 3.998 1.00 0.00 N ATOM 1275 CA GLN A 341 -4.014 9.157 3.901 1.00 0.00 C ATOM 1276 C GLN A 341 -4.502 10.477 4.497 1.00 0.00 C ATOM 1277 O GLN A 341 -5.168 11.265 3.825 1.00 0.00 O ATOM 1278 CB GLN A 341 -4.713 7.990 4.589 1.00 0.00 C ATOM 1279 CG GLN A 341 -5.921 7.468 3.832 1.00 0.00 C ATOM 1280 CD GLN A 341 -6.013 5.952 3.858 1.00 0.00 C ATOM 1281 OE1 GLN A 341 -7.020 5.385 4.280 1.00 0.00 O ATOM 1282 NE2 GLN A 341 -4.956 5.286 3.398 1.00 0.00 N ATOM 0 H GLN A 341 -2.263 8.417 4.790 1.00 0.00 H new ATOM 0 HA GLN A 341 -4.262 9.183 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 341 -3.999 7.177 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 341 -5.027 8.303 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -6.828 7.891 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -5.872 7.808 2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -4.141 5.796 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 341 -4.961 4.266 3.386 1.00 0.00 H new ATOM 1291 N ARG A 342 -4.210 10.688 5.771 1.00 0.00 N ATOM 1292 CA ARG A 342 -4.666 11.881 6.475 1.00 0.00 C ATOM 1293 C ARG A 342 -3.837 13.115 6.148 1.00 0.00 C ATOM 1294 O ARG A 342 -4.376 14.148 5.755 1.00 0.00 O ATOM 1295 CB ARG A 342 -4.648 11.626 7.983 1.00 0.00 C ATOM 1296 CG ARG A 342 -5.739 12.363 8.742 1.00 0.00 C ATOM 1297 CD ARG A 342 -5.673 12.075 10.233 1.00 0.00 C ATOM 1298 NE ARG A 342 -6.599 12.911 10.990 1.00 0.00 N ATOM 1299 CZ ARG A 342 -6.851 12.742 12.283 1.00 0.00 C ATOM 1300 NH1 ARG A 342 -6.254 11.766 12.956 1.00 0.00 N ATOM 1301 NH2 ARG A 342 -7.707 13.546 12.902 1.00 0.00 N ATOM 0 H ARG A 342 -3.658 10.048 6.342 1.00 0.00 H new ATOM 0 HA ARG A 342 -5.682 12.085 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 342 -4.753 10.556 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -3.678 11.923 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -5.640 13.435 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 342 -6.715 12.068 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 342 -5.904 11.025 10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -4.657 12.243 10.591 1.00 0.00 H new ATOM 0 HE ARG A 342 -7.079 13.666 10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 342 -5.600 11.144 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 342 -6.449 11.638 13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 342 -8.171 14.293 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 342 -7.901 13.417 13.895 1.00 0.00 H new ATOM 1315 N GLU A 343 -2.538 13.019 6.340 1.00 0.00 N ATOM 1316 CA GLU A 343 -1.661 14.147 6.091 1.00 0.00 C ATOM 1317 C GLU A 343 -1.779 14.665 4.661 1.00 0.00 C ATOM 1318 O GLU A 343 -1.690 15.868 4.428 1.00 0.00 O ATOM 1319 CB GLU A 343 -0.226 13.776 6.433 1.00 0.00 C ATOM 1320 CG GLU A 343 0.107 14.068 7.882 1.00 0.00 C ATOM 1321 CD GLU A 343 0.437 15.531 8.110 1.00 0.00 C ATOM 1322 OE1 GLU A 343 -0.328 16.392 7.625 1.00 0.00 O ATOM 1323 OE2 GLU A 343 1.457 15.818 8.770 1.00 0.00 O ATOM 0 H GLU A 343 -2.066 12.176 6.666 1.00 0.00 H new ATOM 0 HA GLU A 343 -1.974 14.965 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -0.068 12.717 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 343 0.455 14.329 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -0.737 13.785 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 343 0.954 13.454 8.189 1.00 0.00 H new ATOM 1746 N GLU B 16 14.305 1.578 1.625 1.00 0.00 N ATOM 1747 CA GLU B 16 12.875 1.690 1.850 1.00 0.00 C ATOM 1748 C GLU B 16 12.113 0.590 1.124 1.00 0.00 C ATOM 1749 O GLU B 16 11.149 0.034 1.651 1.00 0.00 O ATOM 1750 CB GLU B 16 12.387 3.060 1.394 1.00 0.00 C ATOM 1751 CG GLU B 16 11.609 3.798 2.460 1.00 0.00 C ATOM 1752 CD GLU B 16 12.127 5.196 2.729 1.00 0.00 C ATOM 1753 OE1 GLU B 16 12.169 6.007 1.780 1.00 0.00 O ATOM 1754 OE2 GLU B 16 12.481 5.484 3.892 1.00 0.00 O ATOM 0 HA GLU B 16 12.687 1.576 2.918 1.00 0.00 H new ATOM 0 HB2 GLU B 16 13.244 3.663 1.095 1.00 0.00 H new ATOM 0 HB3 GLU B 16 11.758 2.940 0.512 1.00 0.00 H new ATOM 0 HG2 GLU B 16 10.563 3.859 2.159 1.00 0.00 H new ATOM 0 HG3 GLU B 16 11.641 3.223 3.385 1.00 0.00 H new ATOM 1761 N LEU B 17 12.551 0.277 -0.085 1.00 0.00 N ATOM 1762 CA LEU B 17 11.911 -0.758 -0.875 1.00 0.00 C ATOM 1763 C LEU B 17 12.350 -2.131 -0.401 1.00 0.00 C ATOM 1764 O LEU B 17 11.614 -3.108 -0.517 1.00 0.00 O ATOM 1765 CB LEU B 17 12.257 -0.585 -2.353 1.00 0.00 C ATOM 1766 CG LEU B 17 11.122 -0.068 -3.235 1.00 0.00 C ATOM 1767 CD1 LEU B 17 10.017 -1.106 -3.361 1.00 0.00 C ATOM 1768 CD2 LEU B 17 10.581 1.240 -2.682 1.00 0.00 C ATOM 0 H LEU B 17 13.347 0.726 -0.539 1.00 0.00 H new ATOM 0 HA LEU B 17 10.832 -0.670 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.099 0.102 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU B 17 12.591 -1.546 -2.745 1.00 0.00 H new ATOM 0 HG LEU B 17 11.517 0.118 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.220 -0.714 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU B 17 10.421 -2.015 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.617 -1.333 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.773 1.598 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.203 1.079 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.379 1.982 -2.657 1.00 0.00 H new ATOM 1780 N SER B 18 13.567 -2.209 0.108 1.00 0.00 N ATOM 1781 CA SER B 18 14.095 -3.476 0.563 1.00 0.00 C ATOM 1782 C SER B 18 13.565 -3.852 1.939 1.00 0.00 C ATOM 1783 O SER B 18 13.256 -5.016 2.200 1.00 0.00 O ATOM 1784 CB SER B 18 15.625 -3.465 0.571 1.00 0.00 C ATOM 1785 OG SER B 18 16.153 -2.876 -0.609 1.00 0.00 O ATOM 0 H SER B 18 14.200 -1.417 0.215 1.00 0.00 H new ATOM 0 HA SER B 18 13.754 -4.232 -0.144 1.00 0.00 H new ATOM 0 HB2 SER B 18 15.980 -2.915 1.442 1.00 0.00 H new ATOM 0 HB3 SER B 18 15.996 -4.486 0.665 1.00 0.00 H new ATOM 0 HG SER B 18 17.132 -2.884 -0.569 1.00 0.00 H new ATOM 1791 N ASP B 19 13.464 -2.864 2.814 1.00 0.00 N ATOM 1792 CA ASP B 19 12.978 -3.088 4.169 1.00 0.00 C ATOM 1793 C ASP B 19 11.506 -3.509 4.188 1.00 0.00 C ATOM 1794 O ASP B 19 10.911 -3.651 5.259 1.00 0.00 O ATOM 1795 CB ASP B 19 13.174 -1.820 5.006 1.00 0.00 C ATOM 1796 CG ASP B 19 14.049 -2.058 6.221 1.00 0.00 C ATOM 1797 OD1 ASP B 19 15.122 -2.681 6.068 1.00 0.00 O ATOM 1798 OD2 ASP B 19 13.662 -1.622 7.324 1.00 0.00 O ATOM 0 H ASP B 19 13.713 -1.896 2.611 1.00 0.00 H new ATOM 0 HA ASP B 19 13.557 -3.906 4.599 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.622 -1.044 4.385 1.00 0.00 H new ATOM 0 HB3 ASP B 19 12.202 -1.448 5.329 1.00 0.00 H new ATOM 1803 N LEU B 20 10.919 -3.709 3.011 1.00 0.00 N ATOM 1804 CA LEU B 20 9.524 -4.106 2.920 1.00 0.00 C ATOM 1805 C LEU B 20 9.301 -5.100 1.778 1.00 0.00 C ATOM 1806 O LEU B 20 8.566 -6.077 1.930 1.00 0.00 O ATOM 1807 CB LEU B 20 8.666 -2.869 2.713 1.00 0.00 C ATOM 1808 CG LEU B 20 8.910 -1.741 3.708 1.00 0.00 C ATOM 1809 CD1 LEU B 20 8.238 -0.468 3.223 1.00 0.00 C ATOM 1810 CD2 LEU B 20 8.414 -2.128 5.094 1.00 0.00 C ATOM 0 H LEU B 20 11.389 -3.602 2.112 1.00 0.00 H new ATOM 0 HA LEU B 20 9.241 -4.602 3.849 1.00 0.00 H new ATOM 0 HB2 LEU B 20 8.840 -2.489 1.706 1.00 0.00 H new ATOM 0 HB3 LEU B 20 7.617 -3.160 2.767 1.00 0.00 H new ATOM 0 HG LEU B 20 9.983 -1.560 3.779 1.00 0.00 H new ATOM 0 HD11 LEU B 20 8.417 0.334 3.940 1.00 0.00 H new ATOM 0 HD12 LEU B 20 8.649 -0.186 2.253 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.165 -0.636 3.127 1.00 0.00 H new ATOM 0 HD21 LEU B 20 8.598 -1.308 5.788 1.00 0.00 H new ATOM 0 HD22 LEU B 20 7.345 -2.335 5.053 1.00 0.00 H new ATOM 0 HD23 LEU B 20 8.943 -3.018 5.435 1.00 0.00 H new ATOM 1822 N LEU B 21 9.933 -4.841 0.632 1.00 0.00 N ATOM 1823 CA LEU B 21 9.797 -5.713 -0.536 1.00 0.00 C ATOM 1824 C LEU B 21 10.921 -6.739 -0.594 1.00 0.00 C ATOM 1825 O LEU B 21 10.671 -7.941 -0.627 1.00 0.00 O ATOM 1826 CB LEU B 21 9.774 -4.897 -1.834 1.00 0.00 C ATOM 1827 CG LEU B 21 8.531 -5.100 -2.695 1.00 0.00 C ATOM 1828 CD1 LEU B 21 8.250 -3.863 -3.527 1.00 0.00 C ATOM 1829 CD2 LEU B 21 8.704 -6.315 -3.588 1.00 0.00 C ATOM 0 H LEU B 21 10.543 -4.036 0.488 1.00 0.00 H new ATOM 0 HA LEU B 21 8.849 -6.241 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU B 21 9.856 -3.839 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU B 21 10.654 -5.154 -2.424 1.00 0.00 H new ATOM 0 HG LEU B 21 7.678 -5.270 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.360 -4.027 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU B 21 8.087 -3.010 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 21 9.101 -3.661 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU B 21 7.810 -6.449 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU B 21 9.567 -6.169 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU B 21 8.859 -7.201 -2.972 1.00 0.00 H new