USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 307 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 555 SER OG : rot 13:sc= -0.634! USER MOD Set 1.2: A 565 ASN :FLIP amide:sc= -3.95! F(o=-5.9,f=-4.6!) USER MOD Single : A 548 GLN :FLIP amide:sc= -0.0234 F(o=-1.4!,f=-0.023) USER MOD Single : A 549 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.12) USER MOD Single : A 550 GLN : amide:sc= 0.0485 K(o=0.049,f=-5.2!) USER MOD Single : A 553 GLN :FLIP amide:sc= -1.32 F(o=-2.6!,f=-1.3) USER MOD Single : A 557 MET CE :methyl -117:sc= -1.68 (180deg=-3.26!) USER MOD Single : A 561 ASN : amide:sc= -0.646 K(o=-0.65,f=-6.3!) USER MOD Single : A 567 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.5!) USER MOD Single : A 572 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 577 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 146 N ARG A 546 -13.472 7.810 -3.959 1.00 0.00 N ATOM 147 CA ARG A 546 -13.299 6.458 -3.519 1.00 0.00 C ATOM 148 C ARG A 546 -13.711 6.222 -2.098 1.00 0.00 C ATOM 149 O ARG A 546 -13.027 5.511 -1.372 1.00 0.00 O ATOM 150 CB ARG A 546 -11.884 6.080 -3.707 1.00 0.00 C ATOM 151 CG ARG A 546 -11.483 5.851 -5.135 1.00 0.00 C ATOM 152 CD ARG A 546 -12.546 5.164 -5.978 1.00 0.00 C ATOM 153 NE ARG A 546 -12.249 5.242 -7.406 1.00 0.00 N ATOM 154 CZ ARG A 546 -13.099 4.869 -8.358 1.00 0.00 C ATOM 155 NH1 ARG A 546 -14.293 4.390 -8.038 1.00 0.00 N ATOM 156 NH2 ARG A 546 -12.755 4.979 -9.635 1.00 0.00 N ATOM 0 HA ARG A 546 -13.959 5.835 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 546 -11.253 6.864 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 546 -11.685 5.172 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 546 -11.238 6.811 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 546 -10.575 5.248 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 546 -12.624 4.118 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 546 -13.515 5.624 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 546 -11.338 5.603 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 546 -14.563 4.306 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 546 -14.942 4.105 -8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 546 -11.839 5.350 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 546 -13.407 4.693 -10.365 1.00 0.00 H new ATOM 170 N PHE A 547 -14.831 6.774 -1.678 1.00 0.00 N ATOM 171 CA PHE A 547 -15.246 6.511 -0.325 1.00 0.00 C ATOM 172 C PHE A 547 -14.215 7.099 0.637 1.00 0.00 C ATOM 173 O PHE A 547 -13.946 6.538 1.700 1.00 0.00 O ATOM 174 CB PHE A 547 -15.296 4.998 -0.184 1.00 0.00 C ATOM 175 CG PHE A 547 -16.528 4.421 0.409 1.00 0.00 C ATOM 176 CD1 PHE A 547 -17.074 4.918 1.578 1.00 0.00 C ATOM 177 CD2 PHE A 547 -17.107 3.332 -0.200 1.00 0.00 C ATOM 178 CE1 PHE A 547 -18.193 4.330 2.132 1.00 0.00 C ATOM 179 CE2 PHE A 547 -18.220 2.729 0.351 1.00 0.00 C ATOM 180 CZ PHE A 547 -18.764 3.232 1.521 1.00 0.00 C ATOM 0 H PHE A 547 -15.442 7.379 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 547 -16.215 6.956 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -15.158 4.560 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -14.448 4.685 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -16.622 5.772 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -16.687 2.945 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -18.620 4.728 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -18.664 1.869 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 547 -19.635 2.765 1.956 1.00 0.00 H new ATOM 190 N GLN A 548 -13.595 8.192 0.188 1.00 0.00 N ATOM 191 CA GLN A 548 -12.580 8.928 0.945 1.00 0.00 C ATOM 192 C GLN A 548 -11.751 8.049 1.879 1.00 0.00 C ATOM 193 O GLN A 548 -10.663 7.575 1.538 1.00 0.00 O ATOM 194 CB GLN A 548 -13.257 10.027 1.767 1.00 0.00 C ATOM 195 CG GLN A 548 -13.162 11.413 1.151 1.00 0.00 C ATOM 196 CD GLN A 548 -13.729 12.492 2.056 1.00 0.00 C ATOM 197 OE1 GLN A 548 -13.630 12.283 3.365 1.00 0.00 O flip ATOM 198 NE2 GLN A 548 -14.246 13.504 1.583 1.00 0.00 N flip ATOM 0 H GLN A 548 -13.787 8.598 -0.728 1.00 0.00 H new ATOM 0 HA GLN A 548 -11.891 9.346 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 548 -14.308 9.771 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 548 -12.808 10.051 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 548 -12.118 11.639 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 548 -13.697 11.422 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 548 -14.301 13.624 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 548 -14.619 14.223 2.203 1.00 0.00 H new ATOM 207 N GLN A 549 -12.306 7.830 3.056 1.00 0.00 N ATOM 208 CA GLN A 549 -11.632 7.062 4.113 1.00 0.00 C ATOM 209 C GLN A 549 -11.609 5.573 3.801 1.00 0.00 C ATOM 210 O GLN A 549 -10.566 4.923 3.874 1.00 0.00 O ATOM 211 CB GLN A 549 -12.323 7.298 5.458 1.00 0.00 C ATOM 212 CG GLN A 549 -12.282 8.747 5.920 1.00 0.00 C ATOM 213 CD GLN A 549 -10.868 9.259 6.113 1.00 0.00 C ATOM 214 OE1 GLN A 549 -10.261 9.803 5.192 1.00 0.00 O ATOM 215 NE2 GLN A 549 -10.335 9.085 7.318 1.00 0.00 N ATOM 0 H GLN A 549 -13.231 8.173 3.316 1.00 0.00 H new ATOM 0 HA GLN A 549 -10.600 7.410 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -13.363 6.979 5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -11.851 6.671 6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -12.794 9.372 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -12.829 8.841 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -10.875 8.628 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -9.386 9.408 7.508 1.00 0.00 H new ATOM 224 N GLN A 550 -12.777 5.047 3.476 1.00 0.00 N ATOM 225 CA GLN A 550 -12.922 3.656 3.125 1.00 0.00 C ATOM 226 C GLN A 550 -11.865 3.290 2.082 1.00 0.00 C ATOM 227 O GLN A 550 -11.309 2.180 2.076 1.00 0.00 O ATOM 228 CB GLN A 550 -14.321 3.472 2.578 1.00 0.00 C ATOM 229 CG GLN A 550 -15.378 3.077 3.599 1.00 0.00 C ATOM 230 CD GLN A 550 -15.542 4.105 4.702 1.00 0.00 C ATOM 231 OE1 GLN A 550 -15.243 5.284 4.522 1.00 0.00 O ATOM 232 NE2 GLN A 550 -16.049 3.665 5.843 1.00 0.00 N ATOM 0 H GLN A 550 -13.648 5.577 3.450 1.00 0.00 H new ATOM 0 HA GLN A 550 -12.779 3.005 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 550 -14.631 4.402 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 550 -14.290 2.710 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 550 -16.333 2.939 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 550 -15.110 2.117 4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 550 -16.283 2.678 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 550 -16.205 4.313 6.615 1.00 0.00 H new ATOM 241 N LEU A 551 -11.578 4.257 1.218 1.00 0.00 N ATOM 242 CA LEU A 551 -10.556 4.106 0.190 1.00 0.00 C ATOM 243 C LEU A 551 -9.187 3.974 0.837 1.00 0.00 C ATOM 244 O LEU A 551 -8.400 3.102 0.478 1.00 0.00 O ATOM 245 CB LEU A 551 -10.563 5.314 -0.750 1.00 0.00 C ATOM 246 CG LEU A 551 -9.238 6.051 -0.917 1.00 0.00 C ATOM 247 CD1 LEU A 551 -8.347 5.339 -1.923 1.00 0.00 C ATOM 248 CD2 LEU A 551 -9.479 7.491 -1.344 1.00 0.00 C ATOM 0 H LEU A 551 -12.045 5.164 1.210 1.00 0.00 H new ATOM 0 HA LEU A 551 -10.773 3.207 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -10.894 4.980 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -11.306 6.025 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 551 -8.728 6.056 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 551 -7.408 5.882 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -8.144 4.326 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -8.850 5.298 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 551 -8.523 8.002 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -10.013 7.504 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 551 -10.074 8.001 -0.586 1.00 0.00 H new ATOM 260 N GLU A 552 -8.915 4.860 1.791 1.00 0.00 N ATOM 261 CA GLU A 552 -7.644 4.865 2.490 1.00 0.00 C ATOM 262 C GLU A 552 -7.341 3.491 3.072 1.00 0.00 C ATOM 263 O GLU A 552 -6.182 3.093 3.162 1.00 0.00 O ATOM 264 CB GLU A 552 -7.666 5.933 3.589 1.00 0.00 C ATOM 265 CG GLU A 552 -6.697 5.669 4.725 1.00 0.00 C ATOM 266 CD GLU A 552 -5.248 5.690 4.278 1.00 0.00 C ATOM 267 OE1 GLU A 552 -4.821 6.708 3.693 1.00 0.00 O ATOM 268 OE2 GLU A 552 -4.539 4.690 4.513 1.00 0.00 O ATOM 0 H GLU A 552 -9.565 5.585 2.095 1.00 0.00 H new ATOM 0 HA GLU A 552 -6.851 5.105 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -7.434 6.901 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -8.675 6.002 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -6.843 6.418 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -6.921 4.700 5.170 1.00 0.00 H new ATOM 275 N GLN A 553 -8.383 2.769 3.474 1.00 0.00 N ATOM 276 CA GLN A 553 -8.211 1.456 4.041 1.00 0.00 C ATOM 277 C GLN A 553 -7.800 0.431 2.984 1.00 0.00 C ATOM 278 O GLN A 553 -6.727 -0.185 3.103 1.00 0.00 O ATOM 279 CB GLN A 553 -9.513 1.051 4.695 1.00 0.00 C ATOM 280 CG GLN A 553 -9.809 1.810 5.978 1.00 0.00 C ATOM 281 CD GLN A 553 -11.170 1.478 6.555 1.00 0.00 C ATOM 282 OE1 GLN A 553 -12.182 2.242 6.161 1.00 0.00 O flip ATOM 283 NE2 GLN A 553 -11.313 0.547 7.347 1.00 0.00 N flip ATOM 0 H GLN A 553 -9.352 3.081 3.413 1.00 0.00 H new ATOM 0 HA GLN A 553 -7.408 1.486 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -10.329 1.211 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -9.485 -0.017 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -9.041 1.581 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -9.754 2.881 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -10.508 -0.015 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -12.236 0.338 7.727 1.00 0.00 H new ATOM 292 N LEU A 554 -8.606 0.239 1.928 1.00 0.00 N ATOM 293 CA LEU A 554 -8.214 -0.709 0.899 1.00 0.00 C ATOM 294 C LEU A 554 -6.901 -0.281 0.281 1.00 0.00 C ATOM 295 O LEU A 554 -6.122 -1.108 -0.187 1.00 0.00 O ATOM 296 CB LEU A 554 -9.302 -0.875 -0.172 1.00 0.00 C ATOM 297 CG LEU A 554 -10.316 -1.982 0.116 1.00 0.00 C ATOM 298 CD1 LEU A 554 -11.151 -2.261 -1.117 1.00 0.00 C ATOM 299 CD2 LEU A 554 -9.630 -3.260 0.583 1.00 0.00 C ATOM 0 H LEU A 554 -9.497 0.711 1.775 1.00 0.00 H new ATOM 0 HA LEU A 554 -8.084 -1.684 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -9.836 0.070 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.823 -1.080 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 554 -10.966 -1.637 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -11.869 -3.051 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -11.684 -1.356 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -10.501 -2.577 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -10.381 -4.025 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.948 -3.611 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.070 -3.059 1.496 1.00 0.00 H new ATOM 311 N SER A 555 -6.656 1.021 0.289 1.00 0.00 N ATOM 312 CA SER A 555 -5.414 1.550 -0.232 1.00 0.00 C ATOM 313 C SER A 555 -4.294 1.158 0.710 1.00 0.00 C ATOM 314 O SER A 555 -3.193 0.816 0.277 1.00 0.00 O ATOM 315 CB SER A 555 -5.479 3.070 -0.376 1.00 0.00 C ATOM 316 OG SER A 555 -6.186 3.439 -1.543 1.00 0.00 O ATOM 0 H SER A 555 -7.301 1.724 0.650 1.00 0.00 H new ATOM 0 HA SER A 555 -5.233 1.136 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 555 -5.965 3.501 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 555 -4.469 3.479 -0.414 1.00 0.00 H new ATOM 0 HG SER A 555 -6.663 2.659 -1.897 1.00 0.00 H new ATOM 322 N ALA A 556 -4.584 1.215 2.013 1.00 0.00 N ATOM 323 CA ALA A 556 -3.614 0.846 3.027 1.00 0.00 C ATOM 324 C ALA A 556 -3.084 -0.562 2.816 1.00 0.00 C ATOM 325 O ALA A 556 -1.967 -0.869 3.233 1.00 0.00 O ATOM 326 CB ALA A 556 -4.226 0.973 4.414 1.00 0.00 C ATOM 0 H ALA A 556 -5.486 1.515 2.383 1.00 0.00 H new ATOM 0 HA ALA A 556 -2.772 1.533 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 556 -3.487 0.693 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 556 -4.540 2.004 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 556 -5.090 0.314 4.492 1.00 0.00 H new ATOM 332 N MET A 557 -3.869 -1.428 2.173 1.00 0.00 N ATOM 333 CA MET A 557 -3.416 -2.794 1.908 1.00 0.00 C ATOM 334 C MET A 557 -2.518 -2.828 0.668 1.00 0.00 C ATOM 335 O MET A 557 -2.477 -3.812 -0.072 1.00 0.00 O ATOM 336 CB MET A 557 -4.613 -3.722 1.728 1.00 0.00 C ATOM 337 CG MET A 557 -5.562 -3.709 2.914 1.00 0.00 C ATOM 338 SD MET A 557 -4.758 -4.193 4.455 1.00 0.00 S ATOM 339 CE MET A 557 -4.210 -5.850 4.053 1.00 0.00 C ATOM 0 H MET A 557 -4.806 -1.213 1.831 1.00 0.00 H new ATOM 0 HA MET A 557 -2.835 -3.141 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.159 -3.431 0.831 1.00 0.00 H new ATOM 0 HB3 MET A 557 -4.255 -4.739 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 557 -5.982 -2.710 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 557 -6.394 -4.384 2.716 1.00 0.00 H new ATOM 0 HE1 MET A 557 -4.708 -6.566 4.706 1.00 0.00 H new ATOM 0 HE2 MET A 557 -4.456 -6.073 3.015 1.00 0.00 H new ATOM 0 HE3 MET A 557 -3.131 -5.921 4.193 1.00 0.00 H new ATOM 349 N GLY A 558 -1.808 -1.728 0.472 1.00 0.00 N ATOM 350 CA GLY A 558 -0.898 -1.591 -0.654 1.00 0.00 C ATOM 351 C GLY A 558 -1.593 -1.596 -2.008 1.00 0.00 C ATOM 352 O GLY A 558 -1.035 -2.086 -2.991 1.00 0.00 O ATOM 0 H GLY A 558 -1.845 -0.912 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -0.339 -0.662 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -0.173 -2.405 -0.625 1.00 0.00 H new ATOM 356 N PHE A 559 -2.807 -1.053 -2.065 1.00 0.00 N ATOM 357 CA PHE A 559 -3.553 -0.973 -3.318 1.00 0.00 C ATOM 358 C PHE A 559 -3.677 0.477 -3.767 1.00 0.00 C ATOM 359 O PHE A 559 -3.860 1.369 -2.940 1.00 0.00 O ATOM 360 CB PHE A 559 -4.933 -1.583 -3.142 1.00 0.00 C ATOM 361 CG PHE A 559 -4.913 -3.062 -3.010 1.00 0.00 C ATOM 362 CD1 PHE A 559 -4.654 -3.890 -4.090 1.00 0.00 C ATOM 363 CD2 PHE A 559 -5.186 -3.607 -1.803 1.00 0.00 C ATOM 364 CE1 PHE A 559 -4.666 -5.262 -3.936 1.00 0.00 C ATOM 365 CE2 PHE A 559 -5.211 -4.979 -1.627 1.00 0.00 C ATOM 366 CZ PHE A 559 -4.948 -5.810 -2.699 1.00 0.00 C ATOM 0 H PHE A 559 -3.294 -0.662 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 559 -3.013 -1.531 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 559 -5.402 -1.153 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 559 -5.554 -1.310 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 559 -4.442 -3.460 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 559 -5.388 -2.960 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 559 -4.456 -5.904 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 559 -5.435 -5.398 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 559 -4.963 -6.882 -2.571 1.00 0.00 H new ATOM 376 N LEU A 560 -3.578 0.718 -5.072 1.00 0.00 N ATOM 377 CA LEU A 560 -3.675 2.074 -5.599 1.00 0.00 C ATOM 378 C LEU A 560 -4.881 2.229 -6.523 1.00 0.00 C ATOM 379 O LEU A 560 -5.499 3.293 -6.566 1.00 0.00 O ATOM 380 CB LEU A 560 -2.389 2.446 -6.342 1.00 0.00 C ATOM 381 CG LEU A 560 -2.000 1.505 -7.486 1.00 0.00 C ATOM 382 CD1 LEU A 560 -2.596 1.984 -8.802 1.00 0.00 C ATOM 383 CD2 LEU A 560 -0.486 1.397 -7.593 1.00 0.00 C ATOM 0 H LEU A 560 -3.432 -0.003 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 560 -3.810 2.751 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 560 -2.499 3.453 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 560 -1.570 2.477 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 560 -2.403 0.516 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 560 -2.308 1.302 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 560 -3.683 2.010 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 560 -2.225 2.984 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 560 -0.226 0.725 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 560 -0.064 2.383 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 560 -0.082 1.006 -6.659 1.00 0.00 H new ATOM 395 N ASN A 561 -5.208 1.171 -7.271 1.00 0.00 N ATOM 396 CA ASN A 561 -6.339 1.200 -8.197 1.00 0.00 C ATOM 397 C ASN A 561 -7.608 1.686 -7.504 1.00 0.00 C ATOM 398 O ASN A 561 -8.337 0.906 -6.898 1.00 0.00 O ATOM 399 CB ASN A 561 -6.570 -0.192 -8.790 1.00 0.00 C ATOM 400 CG ASN A 561 -7.513 -0.167 -9.979 1.00 0.00 C ATOM 401 OD1 ASN A 561 -8.403 0.679 -10.064 1.00 0.00 O ATOM 402 ND2 ASN A 561 -7.320 -1.099 -10.906 1.00 0.00 N ATOM 0 H ASN A 561 -4.704 0.284 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 561 -6.100 1.899 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 561 -5.614 -0.616 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 561 -6.977 -0.848 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 561 -7.922 -1.132 -11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 561 -6.570 -1.781 -10.795 1.00 0.00 H new ATOM 409 N ARG A 562 -7.874 2.980 -7.632 1.00 0.00 N ATOM 410 CA ARG A 562 -9.041 3.605 -7.016 1.00 0.00 C ATOM 411 C ARG A 562 -10.337 2.912 -7.441 1.00 0.00 C ATOM 412 O ARG A 562 -11.227 2.672 -6.628 1.00 0.00 O ATOM 413 CB ARG A 562 -9.087 5.081 -7.419 1.00 0.00 C ATOM 414 CG ARG A 562 -7.828 5.856 -7.064 1.00 0.00 C ATOM 415 CD ARG A 562 -7.719 6.096 -5.567 1.00 0.00 C ATOM 416 NE ARG A 562 -6.487 6.796 -5.215 1.00 0.00 N ATOM 417 CZ ARG A 562 -6.435 7.827 -4.378 1.00 0.00 C ATOM 418 NH1 ARG A 562 -7.543 8.280 -3.805 1.00 0.00 N ATOM 419 NH2 ARG A 562 -5.273 8.409 -4.112 1.00 0.00 N ATOM 0 H ARG A 562 -7.290 3.625 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 562 -8.953 3.511 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -9.253 5.149 -8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -9.941 5.553 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -6.953 5.306 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -7.830 6.812 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -8.576 6.678 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -7.756 5.141 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 562 -5.615 6.475 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -8.439 7.837 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -7.498 9.072 -3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -4.418 8.065 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -5.234 9.200 -3.469 1.00 0.00 H new ATOM 433 N GLU A 563 -10.411 2.584 -8.722 1.00 0.00 N ATOM 434 CA GLU A 563 -11.593 1.939 -9.296 1.00 0.00 C ATOM 435 C GLU A 563 -12.074 0.766 -8.441 1.00 0.00 C ATOM 436 O GLU A 563 -13.246 0.703 -8.043 1.00 0.00 O ATOM 437 CB GLU A 563 -11.282 1.445 -10.707 1.00 0.00 C ATOM 438 CG GLU A 563 -12.520 1.220 -11.560 1.00 0.00 C ATOM 439 CD GLU A 563 -12.187 0.710 -12.949 1.00 0.00 C ATOM 440 OE1 GLU A 563 -11.937 1.545 -13.844 1.00 0.00 O ATOM 441 OE2 GLU A 563 -12.176 -0.523 -13.141 1.00 0.00 O ATOM 0 H GLU A 563 -9.662 2.754 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 563 -12.390 2.682 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.636 2.170 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -10.722 0.512 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -13.175 0.505 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -13.074 2.155 -11.643 1.00 0.00 H new ATOM 448 N ALA A 564 -11.158 -0.134 -8.113 1.00 0.00 N ATOM 449 CA ALA A 564 -11.499 -1.318 -7.333 1.00 0.00 C ATOM 450 C ALA A 564 -11.632 -0.978 -5.853 1.00 0.00 C ATOM 451 O ALA A 564 -12.294 -1.681 -5.099 1.00 0.00 O ATOM 452 CB ALA A 564 -10.455 -2.404 -7.541 1.00 0.00 C ATOM 0 H ALA A 564 -10.174 -0.068 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 564 -12.463 -1.689 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 564 -10.722 -3.282 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 564 -10.415 -2.672 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 564 -9.479 -2.037 -7.223 1.00 0.00 H new ATOM 458 N ASN A 565 -10.959 0.092 -5.451 1.00 0.00 N ATOM 459 CA ASN A 565 -10.993 0.520 -4.054 1.00 0.00 C ATOM 460 C ASN A 565 -12.419 0.841 -3.613 1.00 0.00 C ATOM 461 O ASN A 565 -12.945 0.217 -2.693 1.00 0.00 O ATOM 462 CB ASN A 565 -10.098 1.733 -3.842 1.00 0.00 C ATOM 463 CG ASN A 565 -8.631 1.381 -3.918 1.00 0.00 C ATOM 464 OD1 ASN A 565 -7.804 2.171 -3.258 1.00 0.00 O flip ATOM 465 ND2 ASN A 565 -8.245 0.398 -4.550 1.00 0.00 N flip ATOM 0 H ASN A 565 -10.388 0.676 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 565 -10.621 -0.304 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -10.328 2.488 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -10.314 2.176 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -8.918 -0.186 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -7.252 0.167 -4.578 1.00 0.00 H new ATOM 472 N LEU A 566 -13.066 1.783 -4.294 1.00 0.00 N ATOM 473 CA LEU A 566 -14.406 2.143 -3.978 1.00 0.00 C ATOM 474 C LEU A 566 -15.356 1.005 -4.285 1.00 0.00 C ATOM 475 O LEU A 566 -16.350 0.817 -3.585 1.00 0.00 O ATOM 476 CB LEU A 566 -14.802 3.368 -4.781 1.00 0.00 C ATOM 477 CG LEU A 566 -16.226 3.726 -4.588 1.00 0.00 C ATOM 478 CD1 LEU A 566 -16.363 4.911 -3.653 1.00 0.00 C ATOM 479 CD2 LEU A 566 -16.924 3.967 -5.917 1.00 0.00 C ATOM 0 H LEU A 566 -12.661 2.304 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 566 -14.465 2.363 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -14.174 4.210 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -14.616 3.183 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 566 -16.726 2.879 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -17.418 5.155 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -15.930 4.662 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -15.840 5.769 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.967 4.228 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.431 4.784 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -16.875 3.062 -6.523 1.00 0.00 H new ATOM 491 N GLN A 567 -15.057 0.239 -5.327 1.00 0.00 N ATOM 492 CA GLN A 567 -15.945 -0.844 -5.692 1.00 0.00 C ATOM 493 C GLN A 567 -15.925 -1.983 -4.709 1.00 0.00 C ATOM 494 O GLN A 567 -16.974 -2.519 -4.385 1.00 0.00 O ATOM 495 CB GLN A 567 -15.686 -1.334 -7.118 1.00 0.00 C ATOM 496 CG GLN A 567 -16.046 -0.314 -8.188 1.00 0.00 C ATOM 497 CD GLN A 567 -17.543 -0.131 -8.346 1.00 0.00 C ATOM 498 OE1 GLN A 567 -18.304 -0.263 -7.386 1.00 0.00 O ATOM 499 NE2 GLN A 567 -17.973 0.167 -9.564 1.00 0.00 N ATOM 0 H GLN A 567 -14.231 0.346 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 567 -16.952 -0.428 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -14.633 -1.596 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -16.259 -2.245 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -15.592 0.645 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -15.620 -0.628 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -17.307 0.267 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -18.970 0.297 -9.735 1.00 0.00 H new ATOM 508 N ALA A 568 -14.768 -2.365 -4.231 1.00 0.00 N ATOM 509 CA ALA A 568 -14.719 -3.425 -3.256 1.00 0.00 C ATOM 510 C ALA A 568 -15.420 -2.942 -1.996 1.00 0.00 C ATOM 511 O ALA A 568 -16.002 -3.730 -1.244 1.00 0.00 O ATOM 512 CB ALA A 568 -13.284 -3.834 -2.973 1.00 0.00 C ATOM 0 H ALA A 568 -13.866 -1.969 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 568 -15.227 -4.310 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -13.273 -4.635 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -12.817 -4.183 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -12.731 -2.978 -2.588 1.00 0.00 H new ATOM 518 N LEU A 569 -15.409 -1.619 -1.802 1.00 0.00 N ATOM 519 CA LEU A 569 -16.012 -1.031 -0.647 1.00 0.00 C ATOM 520 C LEU A 569 -17.531 -1.108 -0.709 1.00 0.00 C ATOM 521 O LEU A 569 -18.173 -1.589 0.221 1.00 0.00 O ATOM 522 CB LEU A 569 -15.543 0.393 -0.583 1.00 0.00 C ATOM 523 CG LEU A 569 -14.404 0.641 0.388 1.00 0.00 C ATOM 524 CD1 LEU A 569 -14.861 0.384 1.814 1.00 0.00 C ATOM 525 CD2 LEU A 569 -13.212 -0.236 0.068 1.00 0.00 C ATOM 0 H LEU A 569 -14.983 -0.951 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 569 -15.718 -1.574 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -15.227 0.703 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -16.385 1.027 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 569 -14.102 1.684 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -14.033 0.566 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -15.687 1.052 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -15.191 -0.651 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -12.412 -0.036 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -13.503 -1.284 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -12.862 -0.020 -0.941 1.00 0.00 H new ATOM 537 N ILE A 570 -18.100 -0.624 -1.804 1.00 0.00 N ATOM 538 CA ILE A 570 -19.542 -0.657 -1.980 1.00 0.00 C ATOM 539 C ILE A 570 -20.018 -2.091 -2.207 1.00 0.00 C ATOM 540 O ILE A 570 -21.087 -2.486 -1.743 1.00 0.00 O ATOM 541 CB ILE A 570 -19.986 0.218 -3.170 1.00 0.00 C ATOM 542 CG1 ILE A 570 -19.479 1.648 -2.992 1.00 0.00 C ATOM 543 CG2 ILE A 570 -21.500 0.200 -3.311 1.00 0.00 C ATOM 544 CD1 ILE A 570 -19.714 2.533 -4.198 1.00 0.00 C ATOM 0 H ILE A 570 -17.587 -0.206 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 570 -19.990 -0.260 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 570 -19.554 -0.192 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -19.969 2.092 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -18.411 1.621 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -21.794 0.823 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -21.838 -0.823 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -21.955 0.587 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -19.328 3.532 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -19.201 2.113 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -20.783 2.592 -4.403 1.00 0.00 H new ATOM 556 N ALA A 571 -19.203 -2.862 -2.924 1.00 0.00 N ATOM 557 CA ALA A 571 -19.518 -4.252 -3.234 1.00 0.00 C ATOM 558 C ALA A 571 -19.586 -5.125 -1.988 1.00 0.00 C ATOM 559 O ALA A 571 -20.248 -6.164 -2.002 1.00 0.00 O ATOM 560 CB ALA A 571 -18.507 -4.829 -4.214 1.00 0.00 C ATOM 0 H ALA A 571 -18.312 -2.542 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 571 -20.507 -4.253 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 571 -18.762 -5.866 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 571 -18.524 -4.250 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 571 -17.510 -4.784 -3.777 1.00 0.00 H new ATOM 566 N THR A 572 -18.915 -4.725 -0.907 1.00 0.00 N ATOM 567 CA THR A 572 -18.959 -5.524 0.306 1.00 0.00 C ATOM 568 C THR A 572 -19.858 -4.865 1.348 1.00 0.00 C ATOM 569 O THR A 572 -20.619 -5.541 2.040 1.00 0.00 O ATOM 570 CB THR A 572 -17.552 -5.720 0.889 1.00 0.00 C ATOM 571 OG1 THR A 572 -16.965 -4.449 1.199 1.00 0.00 O ATOM 572 CG2 THR A 572 -16.658 -6.474 -0.087 1.00 0.00 C ATOM 0 H THR A 572 -18.351 -3.877 -0.850 1.00 0.00 H new ATOM 0 HA THR A 572 -19.368 -6.500 0.046 1.00 0.00 H new ATOM 0 HB THR A 572 -17.643 -6.309 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 572 -16.683 -4.008 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 572 -15.667 -6.600 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 572 -17.090 -7.453 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 572 -16.576 -5.910 -1.016 1.00 0.00 H new ATOM 580 N GLY A 573 -19.765 -3.538 1.455 1.00 0.00 N ATOM 581 CA GLY A 573 -20.635 -2.807 2.364 1.00 0.00 C ATOM 582 C GLY A 573 -19.983 -2.479 3.699 1.00 0.00 C ATOM 583 O GLY A 573 -20.610 -2.628 4.748 1.00 0.00 O ATOM 0 H GLY A 573 -19.107 -2.960 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -20.950 -1.880 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -21.535 -3.395 2.543 1.00 0.00 H new ATOM 587 N GLY A 574 -18.729 -2.034 3.665 1.00 0.00 N ATOM 588 CA GLY A 574 -18.032 -1.691 4.897 1.00 0.00 C ATOM 589 C GLY A 574 -16.963 -2.701 5.257 1.00 0.00 C ATOM 590 O GLY A 574 -15.950 -2.359 5.860 1.00 0.00 O ATOM 0 H GLY A 574 -18.184 -1.905 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -17.577 -0.706 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -18.753 -1.623 5.712 1.00 0.00 H new ATOM 594 N ASP A 575 -17.218 -3.956 4.914 1.00 0.00 N ATOM 595 CA ASP A 575 -16.283 -5.033 5.159 1.00 0.00 C ATOM 596 C ASP A 575 -15.037 -4.796 4.325 1.00 0.00 C ATOM 597 O ASP A 575 -14.939 -5.237 3.180 1.00 0.00 O ATOM 598 CB ASP A 575 -16.923 -6.372 4.813 1.00 0.00 C ATOM 599 CG ASP A 575 -18.270 -6.561 5.482 1.00 0.00 C ATOM 600 OD1 ASP A 575 -18.292 -6.910 6.681 1.00 0.00 O ATOM 601 OD2 ASP A 575 -19.302 -6.358 4.808 1.00 0.00 O ATOM 0 H ASP A 575 -18.081 -4.251 4.458 1.00 0.00 H new ATOM 0 HA ASP A 575 -16.009 -5.057 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -17.044 -6.445 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -16.255 -7.179 5.114 1.00 0.00 H new ATOM 606 N ILE A 576 -14.092 -4.096 4.922 1.00 0.00 N ATOM 607 CA ILE A 576 -12.859 -3.725 4.258 1.00 0.00 C ATOM 608 C ILE A 576 -11.978 -4.932 4.045 1.00 0.00 C ATOM 609 O ILE A 576 -11.318 -5.049 3.023 1.00 0.00 O ATOM 610 CB ILE A 576 -12.118 -2.676 5.091 1.00 0.00 C ATOM 611 CG1 ILE A 576 -13.087 -1.529 5.426 1.00 0.00 C ATOM 612 CG2 ILE A 576 -10.877 -2.186 4.357 1.00 0.00 C ATOM 613 CD1 ILE A 576 -13.023 -0.354 4.472 1.00 0.00 C ATOM 0 H ILE A 576 -14.159 -3.768 5.885 1.00 0.00 H new ATOM 0 HA ILE A 576 -13.104 -3.305 3.282 1.00 0.00 H new ATOM 0 HB ILE A 576 -11.772 -3.118 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 576 -14.104 -1.920 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 576 -12.875 -1.174 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -10.365 -1.441 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -10.208 -3.026 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 576 -11.169 -1.739 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 576 -13.739 0.407 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 576 -12.018 0.068 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 576 -13.266 -0.690 3.464 1.00 0.00 H new ATOM 625 N ASN A 577 -12.040 -5.846 5.003 1.00 0.00 N ATOM 626 CA ASN A 577 -11.271 -7.070 4.985 1.00 0.00 C ATOM 627 C ASN A 577 -11.767 -7.949 3.850 1.00 0.00 C ATOM 628 O ASN A 577 -10.997 -8.444 3.024 1.00 0.00 O ATOM 629 CB ASN A 577 -11.452 -7.772 6.324 1.00 0.00 C ATOM 630 CG ASN A 577 -10.465 -7.292 7.371 1.00 0.00 C ATOM 631 OD1 ASN A 577 -10.132 -6.007 7.321 1.00 0.00 O flip ATOM 632 ND2 ASN A 577 -10.012 -8.063 8.216 1.00 0.00 N flip ATOM 0 H ASN A 577 -12.637 -5.751 5.825 1.00 0.00 H new ATOM 0 HA ASN A 577 -10.213 -6.861 4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 577 -12.467 -7.605 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 577 -11.335 -8.847 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 577 -10.296 -9.043 8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 577 -9.353 -7.722 8.916 1.00 0.00 H new ATOM 639 N ALA A 578 -13.079 -8.123 3.838 1.00 0.00 N ATOM 640 CA ALA A 578 -13.735 -8.890 2.796 1.00 0.00 C ATOM 641 C ALA A 578 -13.418 -8.225 1.465 1.00 0.00 C ATOM 642 O ALA A 578 -13.307 -8.875 0.421 1.00 0.00 O ATOM 643 CB ALA A 578 -15.238 -8.952 3.028 1.00 0.00 C ATOM 0 H ALA A 578 -13.711 -7.741 4.542 1.00 0.00 H new ATOM 0 HA ALA A 578 -13.372 -9.918 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 578 -15.705 -9.533 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 578 -15.439 -9.426 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 578 -15.648 -7.942 3.029 1.00 0.00 H new ATOM 649 N ALA A 579 -13.243 -6.909 1.543 1.00 0.00 N ATOM 650 CA ALA A 579 -12.928 -6.096 0.385 1.00 0.00 C ATOM 651 C ALA A 579 -11.473 -6.268 -0.041 1.00 0.00 C ATOM 652 O ALA A 579 -11.167 -6.151 -1.219 1.00 0.00 O ATOM 653 CB ALA A 579 -13.230 -4.632 0.668 1.00 0.00 C ATOM 0 H ALA A 579 -13.317 -6.382 2.413 1.00 0.00 H new ATOM 0 HA ALA A 579 -13.556 -6.433 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 579 -12.988 -4.034 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 579 -14.288 -4.518 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 579 -12.630 -4.294 1.513 1.00 0.00 H new ATOM 659 N ILE A 580 -10.576 -6.545 0.913 1.00 0.00 N ATOM 660 CA ILE A 580 -9.173 -6.720 0.604 1.00 0.00 C ATOM 661 C ILE A 580 -8.965 -7.959 -0.253 1.00 0.00 C ATOM 662 O ILE A 580 -8.253 -7.931 -1.255 1.00 0.00 O ATOM 663 CB ILE A 580 -8.360 -6.898 1.891 1.00 0.00 C ATOM 664 CG1 ILE A 580 -8.815 -5.910 2.971 1.00 0.00 C ATOM 665 CG2 ILE A 580 -6.872 -6.765 1.600 1.00 0.00 C ATOM 666 CD1 ILE A 580 -7.899 -5.841 4.178 1.00 0.00 C ATOM 0 H ILE A 580 -10.808 -6.650 1.901 1.00 0.00 H new ATOM 0 HA ILE A 580 -8.841 -5.831 0.067 1.00 0.00 H new ATOM 0 HB ILE A 580 -8.538 -7.902 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -8.891 -4.916 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -9.815 -6.188 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -6.308 -6.894 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -6.572 -7.528 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -6.669 -5.777 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -8.293 -5.119 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -7.842 -6.823 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -6.903 -5.531 3.862 1.00 0.00 H new ATOM 678 N GLU A 581 -9.606 -9.046 0.160 1.00 0.00 N ATOM 679 CA GLU A 581 -9.494 -10.327 -0.530 1.00 0.00 C ATOM 680 C GLU A 581 -10.153 -10.263 -1.898 1.00 0.00 C ATOM 681 O GLU A 581 -9.676 -10.864 -2.861 1.00 0.00 O ATOM 682 CB GLU A 581 -10.136 -11.437 0.303 1.00 0.00 C ATOM 683 CG GLU A 581 -9.449 -11.674 1.639 1.00 0.00 C ATOM 684 CD GLU A 581 -8.022 -12.160 1.482 1.00 0.00 C ATOM 685 OE1 GLU A 581 -7.831 -13.363 1.204 1.00 0.00 O ATOM 686 OE2 GLU A 581 -7.094 -11.337 1.638 1.00 0.00 O ATOM 0 H GLU A 581 -10.215 -9.066 0.978 1.00 0.00 H new ATOM 0 HA GLU A 581 -8.435 -10.548 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.182 -11.187 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -10.124 -12.363 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -9.452 -10.748 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -10.018 -12.407 2.211 1.00 0.00 H new ATOM 693 N ARG A 582 -11.256 -9.531 -1.971 1.00 0.00 N ATOM 694 CA ARG A 582 -11.989 -9.393 -3.216 1.00 0.00 C ATOM 695 C ARG A 582 -11.273 -8.424 -4.152 1.00 0.00 C ATOM 696 O ARG A 582 -11.284 -8.594 -5.371 1.00 0.00 O ATOM 697 CB ARG A 582 -13.414 -8.918 -2.937 1.00 0.00 C ATOM 698 CG ARG A 582 -14.007 -8.089 -4.060 1.00 0.00 C ATOM 699 CD ARG A 582 -15.509 -8.295 -4.174 1.00 0.00 C ATOM 700 NE ARG A 582 -16.140 -8.494 -2.871 1.00 0.00 N ATOM 701 CZ ARG A 582 -17.346 -9.033 -2.709 1.00 0.00 C ATOM 702 NH1 ARG A 582 -18.055 -9.409 -3.766 1.00 0.00 N ATOM 703 NH2 ARG A 582 -17.846 -9.195 -1.493 1.00 0.00 N ATOM 0 H ARG A 582 -11.660 -9.025 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 582 -12.037 -10.366 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 582 -14.050 -9.786 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 582 -13.419 -8.329 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 582 -13.796 -7.034 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 582 -13.530 -8.357 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 582 -15.956 -7.430 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 582 -15.708 -9.159 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 582 -15.627 -8.203 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 582 -17.676 -9.285 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 582 -18.979 -9.822 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 582 -17.306 -8.906 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 582 -18.771 -9.608 -1.373 1.00 0.00 H new ATOM 717 N LEU A 583 -10.649 -7.406 -3.565 1.00 0.00 N ATOM 718 CA LEU A 583 -9.948 -6.398 -4.301 1.00 0.00 C ATOM 719 C LEU A 583 -8.676 -6.962 -4.916 1.00 0.00 C ATOM 720 O LEU A 583 -8.264 -6.556 -6.003 1.00 0.00 O ATOM 721 CB LEU A 583 -9.634 -5.273 -3.327 1.00 0.00 C ATOM 722 CG LEU A 583 -8.485 -4.378 -3.723 1.00 0.00 C ATOM 723 CD1 LEU A 583 -8.707 -3.759 -5.095 1.00 0.00 C ATOM 724 CD2 LEU A 583 -8.270 -3.295 -2.683 1.00 0.00 C ATOM 0 H LEU A 583 -10.625 -7.271 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 583 -10.556 -6.029 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 583 -10.527 -4.659 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 583 -9.414 -5.709 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 583 -7.589 -4.996 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 583 -7.860 -3.121 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 583 -8.801 -4.549 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 583 -9.619 -3.163 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 583 -7.438 -2.660 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 583 -9.173 -2.692 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 583 -8.044 -3.754 -1.721 1.00 0.00 H new ATOM 736 N LEU A 584 -8.063 -7.910 -4.223 1.00 0.00 N ATOM 737 CA LEU A 584 -6.870 -8.529 -4.665 1.00 0.00 C ATOM 738 C LEU A 584 -7.222 -9.647 -5.651 1.00 0.00 C ATOM 739 O LEU A 584 -6.389 -10.085 -6.444 1.00 0.00 O ATOM 740 CB LEU A 584 -6.181 -9.019 -3.399 1.00 0.00 C ATOM 741 CG LEU A 584 -6.155 -10.525 -3.174 1.00 0.00 C ATOM 742 CD1 LEU A 584 -5.060 -11.189 -3.999 1.00 0.00 C ATOM 743 CD2 LEU A 584 -5.969 -10.837 -1.698 1.00 0.00 C ATOM 0 H LEU A 584 -8.403 -8.260 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 584 -6.198 -7.864 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -5.152 -8.659 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -6.672 -8.555 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 584 -7.113 -10.929 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -5.068 -12.264 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -5.237 -11.000 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -4.091 -10.779 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -5.953 -11.917 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -5.028 -10.410 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -6.793 -10.407 -1.129 1.00 0.00 H new