USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -63:sc= 0.348 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 160:sc= -0.0439 USER MOD Single : A 65 ASN : amide:sc= 0.241 X(o=0.24,f=-0.096) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 163:sc= 0.0497 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.168 -15.308 -2.468 1.00 0.00 N ATOM 70 CA GLU A 6 -6.841 -14.498 -3.617 1.00 0.00 C ATOM 71 C GLU A 6 -6.383 -12.981 -3.682 1.00 0.00 C ATOM 72 O GLU A 6 -6.582 -12.204 -2.717 1.00 0.00 O ATOM 73 CB GLU A 6 -8.470 -14.739 -3.803 1.00 0.00 C ATOM 74 CG GLU A 6 -9.453 -14.519 -2.561 1.00 0.00 C ATOM 75 CD GLU A 6 -10.945 -14.772 -2.876 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.652 -13.805 -3.271 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.412 -15.930 -2.700 1.00 0.00 O ATOM 0 HA GLU A 6 -6.434 -14.950 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.807 -14.081 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.610 -15.763 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.148 -15.180 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.339 -13.497 -2.199 1.00 0.00 H new ATOM 84 N TYR A 7 -5.777 -12.594 -4.884 1.00 0.00 N ATOM 85 CA TYR A 7 -5.127 -11.214 -5.171 1.00 0.00 C ATOM 86 C TYR A 7 -6.075 -10.224 -5.944 1.00 0.00 C ATOM 87 O TYR A 7 -6.845 -10.656 -6.876 1.00 0.00 O ATOM 88 CB TYR A 7 -3.724 -11.386 -5.939 1.00 0.00 C ATOM 89 CG TYR A 7 -2.550 -12.201 -5.246 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.493 -13.619 -5.256 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.506 -11.530 -4.644 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.437 -14.302 -4.689 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.437 -12.218 -4.068 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.406 -13.595 -4.102 1.00 0.00 C ATOM 95 OH TYR A 7 0.653 -14.266 -3.539 1.00 0.00 O ATOM 0 H TYR A 7 -5.722 -13.224 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.942 -10.759 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.932 -11.863 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.345 -10.387 -6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.295 -14.176 -5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.516 -10.450 -4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.417 -15.382 -4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.366 -11.671 -3.596 1.00 0.00 H new ATOM 0 HH TYR A 7 1.291 -13.620 -3.171 1.00 0.00 H new ATOM 105 N GLU A 8 -6.001 -8.858 -5.514 1.00 0.00 N ATOM 106 CA GLU A 8 -6.889 -7.724 -6.051 1.00 0.00 C ATOM 107 C GLU A 8 -6.000 -6.509 -6.602 1.00 0.00 C ATOM 108 O GLU A 8 -5.049 -6.028 -5.912 1.00 0.00 O ATOM 109 CB GLU A 8 -7.995 -7.284 -4.934 1.00 0.00 C ATOM 110 CG GLU A 8 -9.345 -6.631 -5.457 1.00 0.00 C ATOM 111 CD GLU A 8 -10.364 -6.286 -4.346 1.00 0.00 C ATOM 112 OE1 GLU A 8 -11.220 -7.153 -4.020 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.327 -5.139 -3.825 1.00 0.00 O ATOM 0 H GLU A 8 -5.338 -8.543 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.455 -8.085 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.253 -8.167 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.522 -6.578 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.104 -5.721 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.815 -7.315 -6.163 1.00 0.00 H new ATOM 120 N GLU A 9 -6.349 -6.078 -7.904 1.00 0.00 N ATOM 121 CA GLU A 9 -5.722 -4.922 -8.687 1.00 0.00 C ATOM 122 C GLU A 9 -6.671 -3.649 -8.793 1.00 0.00 C ATOM 123 O GLU A 9 -7.772 -3.709 -9.445 1.00 0.00 O ATOM 124 CB GLU A 9 -5.044 -5.390 -10.108 1.00 0.00 C ATOM 125 CG GLU A 9 -5.930 -6.182 -11.201 1.00 0.00 C ATOM 126 CD GLU A 9 -5.164 -6.598 -12.474 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.548 -7.700 -12.479 1.00 0.00 O ATOM 128 OE2 GLU A 9 -5.212 -5.844 -13.474 1.00 0.00 O ATOM 0 H GLU A 9 -7.087 -6.541 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.877 -4.580 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.655 -4.494 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.187 -6.019 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.344 -7.076 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.773 -5.554 -11.490 1.00 0.00 H new ATOM 135 N ILE A 10 -6.222 -2.522 -8.075 1.00 0.00 N ATOM 136 CA ILE A 10 -6.948 -1.152 -8.009 1.00 0.00 C ATOM 137 C ILE A 10 -6.032 -0.008 -8.721 1.00 0.00 C ATOM 138 O ILE A 10 -4.805 0.049 -8.502 1.00 0.00 O ATOM 139 CB ILE A 10 -7.442 -0.765 -6.409 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.428 -1.884 -5.792 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.160 0.681 -6.247 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.111 -2.345 -4.329 1.00 0.00 C ATOM 0 H ILE A 10 -5.358 -2.535 -7.532 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.878 -1.208 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.502 -0.732 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.446 -1.496 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.404 -2.759 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.436 0.836 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.472 1.466 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.055 0.714 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.837 -3.097 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.108 -2.771 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.167 -1.488 -3.657 1.00 0.00 H new ATOM 154 N THR A 11 -6.739 0.864 -9.571 1.00 0.00 N ATOM 155 CA THR A 11 -6.196 2.105 -10.285 1.00 0.00 C ATOM 156 C THR A 11 -6.998 3.399 -9.734 1.00 0.00 C ATOM 157 O THR A 11 -8.269 3.481 -9.830 1.00 0.00 O ATOM 158 CB THR A 11 -6.266 1.978 -11.943 1.00 0.00 C ATOM 159 OG1 THR A 11 -5.980 0.624 -12.365 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.198 2.873 -12.663 1.00 0.00 C ATOM 0 H THR A 11 -7.726 0.711 -9.778 1.00 0.00 H new ATOM 0 HA THR A 11 -5.135 2.209 -10.059 1.00 0.00 H new ATOM 0 HB THR A 11 -7.274 2.294 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.028 0.569 -13.342 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.289 2.751 -13.742 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.363 3.918 -12.401 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.199 2.573 -12.347 1.00 0.00 H new ATOM 168 N LEU A 12 -6.168 4.365 -9.153 1.00 0.00 N ATOM 169 CA LEU A 12 -6.574 5.706 -8.535 1.00 0.00 C ATOM 170 C LEU A 12 -6.032 6.947 -9.369 1.00 0.00 C ATOM 171 O LEU A 12 -4.971 6.848 -10.058 1.00 0.00 O ATOM 172 CB LEU A 12 -6.029 5.848 -6.980 1.00 0.00 C ATOM 173 CG LEU A 12 -6.660 5.059 -5.739 1.00 0.00 C ATOM 174 CD1 LEU A 12 -5.754 5.255 -4.549 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.090 5.541 -5.352 1.00 0.00 C ATOM 0 H LEU A 12 -5.159 4.222 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.664 5.717 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.971 5.586 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.090 6.907 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.746 4.013 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.164 4.726 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.763 4.863 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.680 6.318 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.452 4.961 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.058 6.597 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.762 5.403 -6.199 1.00 0.00 H new ATOM 284 N GLY A 20 -6.367 9.747 0.604 1.00 0.00 N ATOM 285 CA GLY A 20 -7.229 9.505 1.809 1.00 0.00 C ATOM 286 C GLY A 20 -6.869 8.236 2.592 1.00 0.00 C ATOM 287 O GLY A 20 -7.787 7.521 3.058 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.153 10.364 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.270 9.440 1.491 1.00 0.00 H new ATOM 291 N PHE A 21 -5.461 7.955 2.727 1.00 0.00 N ATOM 292 CA PHE A 21 -4.779 6.831 3.482 1.00 0.00 C ATOM 293 C PHE A 21 -3.254 7.286 3.839 1.00 0.00 C ATOM 294 O PHE A 21 -2.780 8.355 3.309 1.00 0.00 O ATOM 295 CB PHE A 21 -4.854 5.395 2.622 1.00 0.00 C ATOM 296 CG PHE A 21 -4.034 5.184 1.250 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.361 5.856 0.022 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.991 4.256 1.229 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.652 5.585 -1.149 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.280 3.998 0.059 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.611 4.659 -1.124 1.00 0.00 C ATOM 0 H PHE A 21 -4.774 8.559 2.276 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.300 6.638 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.540 4.603 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.905 5.220 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.164 6.578 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.731 3.729 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.908 6.090 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.470 3.284 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.056 4.452 -2.027 1.00 0.00 H new ATOM 311 N SER A 22 -2.494 6.484 4.772 1.00 0.00 N ATOM 312 CA SER A 22 -0.991 6.631 5.035 1.00 0.00 C ATOM 313 C SER A 22 -0.294 5.213 5.084 1.00 0.00 C ATOM 314 O SER A 22 -0.926 4.209 5.573 1.00 0.00 O ATOM 315 CB SER A 22 -0.660 7.507 6.305 1.00 0.00 C ATOM 316 OG SER A 22 -1.101 8.855 6.175 1.00 0.00 O ATOM 0 H SER A 22 -2.923 5.747 5.331 1.00 0.00 H new ATOM 0 HA SER A 22 -0.574 7.185 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.128 7.059 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.416 7.496 6.478 1.00 0.00 H new ATOM 0 HG SER A 22 -0.629 9.283 5.431 1.00 0.00 H new ATOM 322 N ILE A 23 1.048 5.128 4.568 1.00 0.00 N ATOM 323 CA ILE A 23 1.871 3.797 4.416 1.00 0.00 C ATOM 324 C ILE A 23 3.242 3.658 5.145 1.00 0.00 C ATOM 325 O ILE A 23 4.160 4.493 4.969 1.00 0.00 O ATOM 326 CB ILE A 23 1.877 3.082 2.933 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.064 4.001 1.609 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.627 2.278 2.830 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.447 4.671 1.286 1.00 0.00 C ATOM 0 H ILE A 23 1.565 5.951 4.259 1.00 0.00 H new ATOM 0 HA ILE A 23 1.206 3.199 5.039 1.00 0.00 H new ATOM 0 HB ILE A 23 2.798 2.499 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.798 3.384 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.326 4.801 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.590 1.785 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.612 1.526 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.237 2.934 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.367 5.243 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.728 5.337 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.207 3.899 1.171 1.00 0.00 H new ATOM 341 N ALA A 24 3.341 2.479 5.960 1.00 0.00 N ATOM 342 CA ALA A 24 4.557 2.079 6.768 1.00 0.00 C ATOM 343 C ALA A 24 5.279 0.830 6.109 1.00 0.00 C ATOM 344 O ALA A 24 4.696 -0.298 6.013 1.00 0.00 O ATOM 345 CB ALA A 24 4.170 1.871 8.289 1.00 0.00 C ATOM 0 H ALA A 24 2.572 1.814 6.049 1.00 0.00 H new ATOM 0 HA ALA A 24 5.288 2.887 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.057 1.584 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.768 2.800 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.419 1.085 8.369 1.00 0.00 H new ATOM 351 N GLY A 25 6.572 1.099 5.678 1.00 0.00 N ATOM 352 CA GLY A 25 7.473 0.154 4.907 1.00 0.00 C ATOM 353 C GLY A 25 8.939 0.612 4.875 1.00 0.00 C ATOM 354 O GLY A 25 9.213 1.849 5.018 1.00 0.00 O ATOM 0 H GLY A 25 7.021 1.996 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.418 -0.838 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.105 0.063 3.885 1.00 0.00 H new ATOM 358 N GLY A 26 9.881 -0.402 4.656 1.00 0.00 N ATOM 359 CA GLY A 26 11.369 -0.158 4.803 1.00 0.00 C ATOM 360 C GLY A 26 12.320 -1.352 4.649 1.00 0.00 C ATOM 361 O GLY A 26 11.951 -2.521 4.951 1.00 0.00 O ATOM 0 H GLY A 26 9.637 -1.355 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.657 0.594 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.539 0.278 5.788 1.00 0.00 H new ATOM 365 N THR A 27 13.585 -0.997 4.152 1.00 0.00 N ATOM 366 CA THR A 27 14.866 -1.882 4.168 1.00 0.00 C ATOM 367 C THR A 27 15.897 -1.469 5.312 1.00 0.00 C ATOM 368 O THR A 27 16.458 -2.374 5.997 1.00 0.00 O ATOM 369 CB THR A 27 15.631 -2.056 2.757 1.00 0.00 C ATOM 370 OG1 THR A 27 15.727 -0.839 1.994 1.00 0.00 O ATOM 371 CG2 THR A 27 15.087 -3.218 1.926 1.00 0.00 C ATOM 0 H THR A 27 13.753 -0.086 3.725 1.00 0.00 H new ATOM 0 HA THR A 27 14.458 -2.867 4.396 1.00 0.00 H new ATOM 0 HB THR A 27 16.655 -2.315 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.202 -1.016 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.640 -3.286 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.201 -4.148 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.031 -3.050 1.713 1.00 0.00 H new ATOM 379 N ASP A 28 16.095 -0.063 5.502 1.00 0.00 N ATOM 380 CA ASP A 28 16.982 0.600 6.569 1.00 0.00 C ATOM 381 C ASP A 28 16.146 1.200 7.809 1.00 0.00 C ATOM 382 O ASP A 28 16.656 1.170 8.972 1.00 0.00 O ATOM 383 CB ASP A 28 17.982 1.703 5.947 1.00 0.00 C ATOM 384 CG ASP A 28 19.136 1.146 5.066 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.939 1.014 3.832 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.229 0.864 5.616 1.00 0.00 O ATOM 0 H ASP A 28 15.633 0.624 4.907 1.00 0.00 H new ATOM 0 HA ASP A 28 17.596 -0.207 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.397 2.401 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.418 2.274 6.766 1.00 0.00 H new ATOM 391 N ASN A 29 14.820 1.702 7.515 1.00 0.00 N ATOM 392 CA ASN A 29 13.834 2.311 8.500 1.00 0.00 C ATOM 393 C ASN A 29 12.668 1.238 8.971 1.00 0.00 C ATOM 394 O ASN A 29 11.772 0.905 8.124 1.00 0.00 O ATOM 395 CB ASN A 29 13.221 3.722 7.979 1.00 0.00 C ATOM 396 CG ASN A 29 14.186 4.970 7.936 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.410 4.876 7.691 1.00 0.00 O ATOM 398 ND2 ASN A 29 13.613 6.142 8.183 1.00 0.00 N ATOM 0 H ASN A 29 14.443 1.675 6.568 1.00 0.00 H new ATOM 0 HA ASN A 29 14.405 2.548 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.829 3.567 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.374 3.975 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.173 6.995 8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.613 6.190 8.380 1.00 0.00 H new ATOM 501 N SER A 37 8.733 -6.012 4.237 1.00 0.00 N ATOM 502 CA SER A 37 7.390 -5.760 3.489 1.00 0.00 C ATOM 503 C SER A 37 6.644 -4.376 3.848 1.00 0.00 C ATOM 504 O SER A 37 6.729 -3.899 5.023 1.00 0.00 O ATOM 505 CB SER A 37 6.427 -7.034 3.625 1.00 0.00 C ATOM 506 OG SER A 37 6.129 -7.395 4.989 1.00 0.00 O ATOM 0 HA SER A 37 7.658 -5.629 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.493 -6.830 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.893 -7.885 3.127 1.00 0.00 H new ATOM 0 HG SER A 37 5.538 -8.176 4.999 1.00 0.00 H new ATOM 512 N ILE A 38 5.905 -3.755 2.767 1.00 0.00 N ATOM 513 CA ILE A 38 5.129 -2.417 2.855 1.00 0.00 C ATOM 514 C ILE A 38 3.561 -2.730 3.196 1.00 0.00 C ATOM 515 O ILE A 38 2.813 -3.323 2.378 1.00 0.00 O ATOM 516 CB ILE A 38 5.361 -1.357 1.505 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.831 -1.381 0.660 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.960 0.151 1.788 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.244 -1.561 1.388 1.00 0.00 C ATOM 0 H ILE A 38 5.848 -4.179 1.841 1.00 0.00 H new ATOM 0 HA ILE A 38 5.553 -1.838 3.675 1.00 0.00 H new ATOM 0 HB ILE A 38 4.654 -1.836 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.755 -2.184 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.885 -0.445 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.135 0.748 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.905 0.203 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.564 0.540 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.041 -1.545 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.394 -0.748 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.261 -2.513 1.918 1.00 0.00 H new ATOM 531 N PHE A 39 3.169 -2.273 4.470 1.00 0.00 N ATOM 532 CA PHE A 39 1.880 -2.563 5.258 1.00 0.00 C ATOM 533 C PHE A 39 1.048 -1.225 5.572 1.00 0.00 C ATOM 534 O PHE A 39 1.656 -0.095 5.771 1.00 0.00 O ATOM 535 CB PHE A 39 2.387 -3.393 6.606 1.00 0.00 C ATOM 536 CG PHE A 39 1.461 -3.846 7.823 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.402 -4.762 7.694 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.762 -3.385 9.106 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.321 -5.182 8.806 1.00 0.00 C ATOM 540 CE2 PHE A 39 1.035 -3.800 10.216 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.004 -4.699 10.063 1.00 0.00 C ATOM 0 H PHE A 39 3.784 -1.657 5.001 1.00 0.00 H new ATOM 0 HA PHE A 39 1.165 -3.160 4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.854 -4.305 6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.179 -2.787 7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.146 -5.145 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.578 -2.690 9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.131 -5.886 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.282 -3.421 11.197 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.568 -5.024 10.925 1.00 0.00 H new ATOM 551 N ILE A 40 -0.392 -1.392 5.595 1.00 0.00 N ATOM 552 CA ILE A 40 -1.419 -0.299 5.961 1.00 0.00 C ATOM 553 C ILE A 40 -1.667 -0.290 7.539 1.00 0.00 C ATOM 554 O ILE A 40 -1.779 -1.370 8.208 1.00 0.00 O ATOM 555 CB ILE A 40 -2.897 -0.378 5.127 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.911 -1.121 3.650 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.666 1.031 5.051 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.034 -0.547 2.503 1.00 0.00 C ATOM 0 H ILE A 40 -0.835 -2.280 5.361 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.968 0.639 5.636 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.448 -1.060 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.614 -2.159 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.943 -1.133 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.601 0.906 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.879 1.384 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.040 1.760 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.163 -1.154 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.336 0.479 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.986 -0.562 2.803 1.00 0.00 H new ATOM 570 N THR A 41 -1.774 0.996 8.049 1.00 0.00 N ATOM 571 CA THR A 41 -1.823 1.412 9.515 1.00 0.00 C ATOM 572 C THR A 41 -2.876 2.627 9.708 1.00 0.00 C ATOM 573 O THR A 41 -3.573 2.631 10.769 1.00 0.00 O ATOM 574 CB THR A 41 -0.290 1.776 10.085 1.00 0.00 C ATOM 575 OG1 THR A 41 0.645 0.732 9.747 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.156 1.966 11.605 1.00 0.00 C ATOM 0 H THR A 41 -1.831 1.803 7.428 1.00 0.00 H new ATOM 0 HA THR A 41 -2.180 0.577 10.118 1.00 0.00 H new ATOM 0 HB THR A 41 -0.081 2.730 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.534 0.966 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.880 2.197 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.798 2.786 11.927 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.455 1.050 12.114 1.00 0.00 H new ATOM 584 N LYS A 42 -2.991 3.634 8.648 1.00 0.00 N ATOM 585 CA LYS A 42 -3.896 4.837 8.747 1.00 0.00 C ATOM 586 C LYS A 42 -4.875 4.933 7.498 1.00 0.00 C ATOM 587 O LYS A 42 -4.435 4.814 6.307 1.00 0.00 O ATOM 588 CB LYS A 42 -2.999 6.184 8.985 1.00 0.00 C ATOM 589 CG LYS A 42 -3.563 7.351 9.875 1.00 0.00 C ATOM 590 CD LYS A 42 -4.486 8.368 9.117 1.00 0.00 C ATOM 591 CE LYS A 42 -4.877 9.597 9.958 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.947 9.349 11.012 1.00 0.00 N ATOM 0 H LYS A 42 -2.467 3.587 7.774 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.549 4.731 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.051 5.870 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.774 6.603 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.125 6.919 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.725 7.896 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.976 8.704 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.393 7.854 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.984 9.977 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.227 10.381 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.141 10.233 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.818 9.017 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.614 8.627 11.682 1.00 0.00 H new ATOM 606 N ILE A 43 -6.237 5.086 7.848 1.00 0.00 N ATOM 607 CA ILE A 43 -7.397 5.326 6.905 1.00 0.00 C ATOM 608 C ILE A 43 -8.173 6.662 7.368 1.00 0.00 C ATOM 609 O ILE A 43 -8.558 6.796 8.575 1.00 0.00 O ATOM 610 CB ILE A 43 -8.415 3.918 6.714 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.657 2.581 6.080 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.871 4.121 6.040 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.950 2.667 4.641 1.00 0.00 C ATOM 0 H ILE A 43 -6.541 5.041 8.821 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.022 5.497 5.896 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.626 3.724 7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.897 2.269 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.397 1.782 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.385 3.161 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.457 4.815 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.753 4.524 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.510 1.701 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.691 2.932 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.168 3.426 4.664 1.00 0.00 H new ATOM 625 N ILE A 44 -8.381 7.617 6.345 1.00 0.00 N ATOM 626 CA ILE A 44 -9.212 8.914 6.453 1.00 0.00 C ATOM 627 C ILE A 44 -10.842 8.600 6.197 1.00 0.00 C ATOM 628 O ILE A 44 -11.151 7.915 5.187 1.00 0.00 O ATOM 629 CB ILE A 44 -8.538 10.190 5.486 1.00 0.00 C ATOM 630 CG1 ILE A 44 -7.125 10.750 5.993 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.439 11.456 5.215 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.885 9.899 5.766 1.00 0.00 C ATOM 0 H ILE A 44 -7.971 7.501 5.418 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.154 9.296 7.472 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.435 9.635 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.958 11.714 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.207 10.938 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.890 12.168 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.347 11.152 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.703 11.924 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.012 10.415 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.003 8.941 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.750 9.730 4.698 1.00 0.00 H new ATOM 644 N PRO A 45 -11.913 9.143 7.160 1.00 0.00 N ATOM 645 CA PRO A 45 -13.455 8.914 6.985 1.00 0.00 C ATOM 646 C PRO A 45 -14.179 9.576 5.669 1.00 0.00 C ATOM 647 O PRO A 45 -15.271 9.068 5.245 1.00 0.00 O ATOM 648 CB PRO A 45 -14.059 9.473 8.335 1.00 0.00 C ATOM 649 CG PRO A 45 -12.905 9.555 9.302 1.00 0.00 C ATOM 650 CD PRO A 45 -11.703 9.937 8.475 1.00 0.00 C ATOM 0 HA PRO A 45 -13.642 7.857 6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.512 10.453 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.841 8.815 8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.097 10.296 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.747 8.601 9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.663 11.011 8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.771 9.661 8.968 1.00 0.00 H new ATOM 658 N GLY A 46 -13.500 10.672 5.055 1.00 0.00 N ATOM 659 CA GLY A 46 -13.974 11.398 3.822 1.00 0.00 C ATOM 660 C GLY A 46 -12.908 11.602 2.698 1.00 0.00 C ATOM 661 O GLY A 46 -12.883 12.710 2.097 1.00 0.00 O ATOM 0 H GLY A 46 -12.625 11.045 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.816 10.848 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.349 12.376 4.122 1.00 0.00 H new ATOM 665 N GLY A 47 -12.009 10.506 2.433 1.00 0.00 N ATOM 666 CA GLY A 47 -10.982 10.459 1.307 1.00 0.00 C ATOM 667 C GLY A 47 -11.448 9.774 -0.035 1.00 0.00 C ATOM 668 O GLY A 47 -12.623 9.340 -0.172 1.00 0.00 O ATOM 0 H GLY A 47 -12.004 9.661 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.675 11.480 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.099 9.933 1.671 1.00 0.00 H new ATOM 672 N ALA A 48 -10.443 9.707 -1.027 1.00 0.00 N ATOM 673 CA ALA A 48 -10.536 9.162 -2.462 1.00 0.00 C ATOM 674 C ALA A 48 -10.428 7.557 -2.598 1.00 0.00 C ATOM 675 O ALA A 48 -11.150 6.972 -3.433 1.00 0.00 O ATOM 676 CB ALA A 48 -9.503 9.921 -3.381 1.00 0.00 C ATOM 0 H ALA A 48 -9.503 10.051 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.549 9.367 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.569 9.535 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.731 10.987 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.494 9.767 -2.999 1.00 0.00 H new ATOM 682 N ALA A 49 -9.494 6.873 -1.728 1.00 0.00 N ATOM 683 CA ALA A 49 -9.266 5.340 -1.624 1.00 0.00 C ATOM 684 C ALA A 49 -10.320 4.530 -0.708 1.00 0.00 C ATOM 685 O ALA A 49 -10.553 3.294 -0.947 1.00 0.00 O ATOM 686 CB ALA A 49 -7.822 5.057 -1.203 1.00 0.00 C ATOM 0 H ALA A 49 -8.890 7.391 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.452 4.952 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.668 3.980 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.139 5.473 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.629 5.516 -0.233 1.00 0.00 H new ATOM 692 N ALA A 50 -10.975 5.285 0.337 1.00 0.00 N ATOM 693 CA ALA A 50 -12.033 4.778 1.322 1.00 0.00 C ATOM 694 C ALA A 50 -13.534 4.791 0.724 1.00 0.00 C ATOM 695 O ALA A 50 -14.283 3.794 0.928 1.00 0.00 O ATOM 696 CB ALA A 50 -11.928 5.571 2.675 1.00 0.00 C ATOM 0 H ALA A 50 -10.756 6.269 0.491 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.819 3.726 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.683 5.205 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.937 5.426 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.091 6.632 2.488 1.00 0.00 H new ATOM 702 N GLN A 51 -13.925 5.958 -0.044 1.00 0.00 N ATOM 703 CA GLN A 51 -15.270 6.201 -0.750 1.00 0.00 C ATOM 704 C GLN A 51 -15.338 5.706 -2.282 1.00 0.00 C ATOM 705 O GLN A 51 -16.243 4.889 -2.604 1.00 0.00 O ATOM 706 CB GLN A 51 -15.708 7.742 -0.619 1.00 0.00 C ATOM 707 CG GLN A 51 -16.054 8.289 0.831 1.00 0.00 C ATOM 708 CD GLN A 51 -17.554 8.234 1.270 1.00 0.00 C ATOM 709 OE1 GLN A 51 -18.013 7.234 1.842 1.00 0.00 O ATOM 710 NE2 GLN A 51 -18.302 9.327 1.035 1.00 0.00 N ATOM 0 H GLN A 51 -13.285 6.743 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.986 5.569 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.904 8.355 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.580 7.898 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.468 7.724 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.721 9.325 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.893 10.133 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -19.278 9.350 1.330 1.00 0.00 H new ATOM 719 N ASP A 52 -14.333 6.210 -3.214 1.00 0.00 N ATOM 720 CA ASP A 52 -14.303 5.976 -4.733 1.00 0.00 C ATOM 721 C ASP A 52 -13.495 4.693 -5.273 1.00 0.00 C ATOM 722 O ASP A 52 -13.966 4.061 -6.272 1.00 0.00 O ATOM 723 CB ASP A 52 -13.867 7.306 -5.492 1.00 0.00 C ATOM 724 CG ASP A 52 -14.970 8.391 -5.645 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.700 8.365 -6.667 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.080 9.264 -4.749 1.00 0.00 O ATOM 0 H ASP A 52 -13.548 6.778 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.334 5.716 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.023 7.745 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.511 7.034 -6.486 1.00 0.00 H new ATOM 731 N GLY A 53 -12.307 4.294 -4.562 1.00 0.00 N ATOM 732 CA GLY A 53 -11.344 3.166 -4.997 1.00 0.00 C ATOM 733 C GLY A 53 -11.678 1.713 -4.519 1.00 0.00 C ATOM 734 O GLY A 53 -11.660 0.777 -5.347 1.00 0.00 O ATOM 0 H GLY A 53 -12.016 4.747 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.300 3.161 -6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.346 3.418 -4.639 1.00 0.00 H new ATOM 738 N ARG A 54 -11.990 1.557 -3.130 1.00 0.00 N ATOM 739 CA ARG A 54 -12.347 0.270 -2.300 1.00 0.00 C ATOM 740 C ARG A 54 -11.126 -0.551 -1.691 1.00 0.00 C ATOM 741 O ARG A 54 -10.837 -1.752 -2.056 1.00 0.00 O ATOM 742 CB ARG A 54 -13.614 -0.618 -2.779 1.00 0.00 C ATOM 743 CG ARG A 54 -15.005 -0.007 -2.518 1.00 0.00 C ATOM 744 CD ARG A 54 -16.126 -0.954 -2.950 1.00 0.00 C ATOM 745 NE ARG A 54 -17.507 -0.381 -2.664 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.786 -0.999 -2.753 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.990 -2.304 -3.128 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.852 -0.270 -2.449 1.00 0.00 N ATOM 0 H ARG A 54 -11.999 2.378 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.768 0.759 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.517 -0.807 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.564 -1.585 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.109 0.221 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.096 0.936 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.034 -1.160 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.015 -1.906 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.517 0.594 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.195 -2.897 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.937 -2.681 -3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.740 0.702 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.784 -0.682 -2.502 1.00 0.00 H new ATOM 762 N LEU A 55 -10.315 0.238 -0.841 1.00 0.00 N ATOM 763 CA LEU A 55 -9.195 -0.211 0.043 1.00 0.00 C ATOM 764 C LEU A 55 -9.585 -0.084 1.596 1.00 0.00 C ATOM 765 O LEU A 55 -10.141 0.968 2.065 1.00 0.00 O ATOM 766 CB LEU A 55 -7.859 0.629 -0.370 1.00 0.00 C ATOM 767 CG LEU A 55 -6.500 0.541 0.436 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.468 -0.385 -0.204 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.990 1.930 0.583 1.00 0.00 C ATOM 0 H LEU A 55 -10.458 1.246 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.990 -1.272 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.627 0.354 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.146 1.681 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.688 0.091 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.563 -0.396 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.874 -1.394 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.229 -0.027 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.050 1.916 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.825 2.363 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.721 2.530 1.125 1.00 0.00 H new ATOM 781 N ARG A 56 -9.287 -1.232 2.323 1.00 0.00 N ATOM 782 CA ARG A 56 -9.311 -1.409 3.839 1.00 0.00 C ATOM 783 C ARG A 56 -7.823 -1.602 4.397 1.00 0.00 C ATOM 784 O ARG A 56 -6.912 -2.106 3.662 1.00 0.00 O ATOM 785 CB ARG A 56 -10.289 -2.607 4.312 1.00 0.00 C ATOM 786 CG ARG A 56 -11.789 -2.372 4.204 1.00 0.00 C ATOM 787 CD ARG A 56 -12.466 -3.586 4.749 1.00 0.00 C ATOM 788 NE ARG A 56 -13.981 -3.462 4.806 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.951 -4.380 5.295 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.650 -5.604 5.841 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.230 -4.034 5.223 1.00 0.00 N ATOM 0 H ARG A 56 -9.013 -2.093 1.850 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.727 -0.498 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.044 -3.493 3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.059 -2.839 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.081 -1.484 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.078 -2.203 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.203 -4.446 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.088 -3.784 5.752 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.358 -2.589 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.678 -5.904 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.398 -6.213 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.493 -3.132 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.950 -4.670 5.565 1.00 0.00 H new ATOM 805 N VAL A 57 -7.600 -1.219 5.738 1.00 0.00 N ATOM 806 CA VAL A 57 -6.274 -1.280 6.561 1.00 0.00 C ATOM 807 C VAL A 57 -5.562 -2.771 6.679 1.00 0.00 C ATOM 808 O VAL A 57 -4.320 -2.887 6.878 1.00 0.00 O ATOM 809 CB VAL A 57 -6.523 -0.514 7.978 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.271 -1.158 9.137 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.482 0.435 8.386 1.00 0.00 C ATOM 0 H VAL A 57 -8.364 -0.845 6.301 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.501 -0.752 6.002 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.372 0.048 7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.314 -0.462 9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.284 -1.409 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.752 -2.065 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.753 0.884 9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.532 -0.089 8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.386 1.216 7.632 1.00 0.00 H new ATOM 821 N ASN A 58 -6.473 -3.819 6.561 1.00 0.00 N ATOM 822 CA ASN A 58 -6.226 -5.270 6.575 1.00 0.00 C ATOM 823 C ASN A 58 -5.990 -5.889 5.039 1.00 0.00 C ATOM 824 O ASN A 58 -5.883 -7.153 4.892 1.00 0.00 O ATOM 825 CB ASN A 58 -7.452 -5.903 7.417 1.00 0.00 C ATOM 826 CG ASN A 58 -7.235 -7.329 8.029 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.510 -8.345 7.382 1.00 0.00 O ATOM 828 ND2 ASN A 58 -6.769 -7.383 9.283 1.00 0.00 N ATOM 0 H ASN A 58 -7.467 -3.621 6.446 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.288 -5.538 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.693 -5.219 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.325 -5.944 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.630 -8.286 9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.553 -6.521 9.784 1.00 0.00 H new ATOM 835 N ASP A 59 -5.836 -4.933 3.908 1.00 0.00 N ATOM 836 CA ASP A 59 -5.610 -5.371 2.426 1.00 0.00 C ATOM 837 C ASP A 59 -4.097 -5.614 1.997 1.00 0.00 C ATOM 838 O ASP A 59 -3.819 -6.559 1.159 1.00 0.00 O ATOM 839 CB ASP A 59 -6.376 -4.450 1.381 1.00 0.00 C ATOM 840 CG ASP A 59 -7.848 -4.836 1.117 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.733 -4.411 1.884 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.102 -5.544 0.118 1.00 0.00 O ATOM 0 H ASP A 59 -5.869 -3.921 4.031 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.064 -6.361 2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.346 -3.421 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.836 -4.475 0.435 1.00 0.00 H new ATOM 847 N SER A 60 -3.077 -4.731 2.601 1.00 0.00 N ATOM 848 CA SER A 60 -1.498 -4.737 2.406 1.00 0.00 C ATOM 849 C SER A 60 -0.974 -4.824 0.903 1.00 0.00 C ATOM 850 O SER A 60 -1.344 -5.777 0.160 1.00 0.00 O ATOM 851 CB SER A 60 -0.758 -5.777 3.361 1.00 0.00 C ATOM 852 OG SER A 60 -0.998 -5.495 4.726 1.00 0.00 O ATOM 0 H SER A 60 -3.359 -3.991 3.244 1.00 0.00 H new ATOM 0 HA SER A 60 -1.213 -3.733 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.098 -6.787 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.314 -5.750 3.167 1.00 0.00 H new ATOM 0 HG SER A 60 -0.818 -6.295 5.262 1.00 0.00 H new ATOM 858 N ILE A 61 -0.086 -3.812 0.480 1.00 0.00 N ATOM 859 CA ILE A 61 0.459 -3.676 -0.973 1.00 0.00 C ATOM 860 C ILE A 61 1.834 -4.525 -1.138 1.00 0.00 C ATOM 861 O ILE A 61 2.802 -4.342 -0.340 1.00 0.00 O ATOM 862 CB ILE A 61 0.637 -2.059 -1.530 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.621 -1.094 -1.111 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.766 -2.038 -3.144 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.364 0.462 -0.987 1.00 0.00 C ATOM 0 H ILE A 61 0.264 -3.090 1.109 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.308 -4.099 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 61 1.538 -1.673 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.413 -1.243 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.005 -1.445 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.878 -1.009 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.637 -2.619 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.131 -2.472 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.290 0.962 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.395 0.646 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.020 0.851 -1.945 1.00 0.00 H new ATOM 877 N LEU A 62 1.834 -5.467 -2.222 1.00 0.00 N ATOM 878 CA LEU A 62 3.062 -6.221 -2.725 1.00 0.00 C ATOM 879 C LEU A 62 3.802 -5.455 -3.875 1.00 0.00 C ATOM 880 O LEU A 62 5.065 -5.379 -3.856 1.00 0.00 O ATOM 881 CB LEU A 62 2.790 -7.809 -3.074 1.00 0.00 C ATOM 882 CG LEU A 62 1.746 -8.287 -4.185 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.121 -9.650 -4.648 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.330 -8.366 -3.660 1.00 0.00 C ATOM 0 H LEU A 62 0.987 -5.699 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 62 3.747 -6.248 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.754 -8.235 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.488 -8.284 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 62 1.780 -7.551 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.413 -9.984 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.124 -9.627 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.100 -10.339 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.336 -8.696 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.287 -9.076 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.017 -7.383 -3.309 1.00 0.00 H new ATOM 896 N PHE A 63 2.948 -4.885 -4.895 1.00 0.00 N ATOM 897 CA PHE A 63 3.458 -4.141 -6.147 1.00 0.00 C ATOM 898 C PHE A 63 2.761 -2.784 -6.397 1.00 0.00 C ATOM 899 O PHE A 63 1.522 -2.698 -6.359 1.00 0.00 O ATOM 900 CB PHE A 63 3.427 -5.112 -7.471 1.00 0.00 C ATOM 901 CG PHE A 63 4.497 -6.273 -7.500 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.294 -7.477 -6.805 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.679 -6.120 -8.187 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.227 -8.482 -6.812 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.616 -7.100 -8.213 1.00 0.00 C ATOM 906 CZ PHE A 63 6.404 -8.304 -7.531 1.00 0.00 C ATOM 0 H PHE A 63 1.930 -4.940 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 63 4.498 -3.887 -5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.435 -5.557 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.568 -4.492 -8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.378 -7.615 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.865 -5.198 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.050 -9.398 -6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.533 -6.950 -8.764 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.147 -9.087 -7.563 1.00 0.00 H new ATOM 916 N VAL A 64 3.610 -1.697 -6.665 1.00 0.00 N ATOM 917 CA VAL A 64 3.112 -0.225 -6.957 1.00 0.00 C ATOM 918 C VAL A 64 3.478 0.102 -8.440 1.00 0.00 C ATOM 919 O VAL A 64 4.513 -0.246 -8.867 1.00 0.00 O ATOM 920 CB VAL A 64 3.598 0.972 -5.822 1.00 0.00 C ATOM 921 CG1 VAL A 64 2.942 2.389 -6.007 1.00 0.00 C ATOM 922 CG2 VAL A 64 3.328 0.576 -4.360 1.00 0.00 C ATOM 0 H VAL A 64 4.626 -1.788 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 64 2.031 -0.192 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 64 4.666 1.036 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.317 3.067 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.194 2.781 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.859 2.303 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.659 1.377 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.260 0.408 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.873 -0.338 -4.124 1.00 0.00 H new ATOM 932 N ASN A 65 2.488 0.771 -9.226 1.00 0.00 N ATOM 933 CA ASN A 65 2.550 1.189 -10.760 1.00 0.00 C ATOM 934 C ASN A 65 2.370 -0.094 -11.733 1.00 0.00 C ATOM 935 O ASN A 65 1.268 -0.355 -12.251 1.00 0.00 O ATOM 936 CB ASN A 65 3.863 2.196 -11.155 1.00 0.00 C ATOM 937 CG ASN A 65 3.706 3.660 -10.747 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.170 4.479 -11.504 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.202 4.003 -9.568 1.00 0.00 N ATOM 0 H ASN A 65 1.599 1.045 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 65 1.688 1.831 -10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.761 1.798 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.024 2.151 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.150 4.972 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.636 3.298 -8.973 1.00 0.00 H new ATOM 946 N GLU A 66 3.541 -0.838 -11.907 1.00 0.00 N ATOM 947 CA GLU A 66 3.873 -2.197 -12.547 1.00 0.00 C ATOM 948 C GLU A 66 5.282 -2.702 -11.879 1.00 0.00 C ATOM 949 O GLU A 66 5.840 -3.794 -12.255 1.00 0.00 O ATOM 950 CB GLU A 66 4.007 -2.143 -14.182 1.00 0.00 C ATOM 951 CG GLU A 66 2.668 -2.063 -15.003 1.00 0.00 C ATOM 952 CD GLU A 66 2.855 -2.010 -16.539 1.00 0.00 C ATOM 953 OE1 GLU A 66 2.881 -3.095 -17.184 1.00 0.00 O ATOM 954 OE2 GLU A 66 2.942 -0.884 -17.099 1.00 0.00 O ATOM 0 H GLU A 66 4.406 -0.436 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 66 3.051 -2.886 -12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.618 -1.279 -14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.552 -3.029 -14.507 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.053 -2.928 -14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.116 -1.178 -14.687 1.00 0.00 H new ATOM 961 N VAL A 67 5.767 -1.908 -10.748 1.00 0.00 N ATOM 962 CA VAL A 67 7.126 -1.955 -10.107 1.00 0.00 C ATOM 963 C VAL A 67 7.200 -2.732 -8.747 1.00 0.00 C ATOM 964 O VAL A 67 6.193 -2.770 -7.938 1.00 0.00 O ATOM 965 CB VAL A 67 7.965 -0.497 -10.071 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.353 -0.014 -11.430 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.385 0.676 -9.190 1.00 0.00 C ATOM 0 H VAL A 67 5.163 -1.223 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 67 7.676 -2.573 -10.817 1.00 0.00 H new ATOM 0 HB VAL A 67 8.859 -0.792 -9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.891 0.930 -11.341 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.995 -0.753 -11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.457 0.134 -12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.036 1.547 -9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.386 0.936 -9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.332 0.357 -8.149 1.00 0.00 H new ATOM 977 N ASP A 68 8.503 -3.204 -8.478 1.00 0.00 N ATOM 978 CA ASP A 68 8.946 -4.059 -7.352 1.00 0.00 C ATOM 979 C ASP A 68 9.288 -3.191 -6.060 1.00 0.00 C ATOM 980 O ASP A 68 10.331 -2.440 -6.018 1.00 0.00 O ATOM 981 CB ASP A 68 10.171 -5.062 -7.737 1.00 0.00 C ATOM 982 CG ASP A 68 9.993 -6.106 -8.866 1.00 0.00 C ATOM 983 OD1 ASP A 68 9.969 -5.713 -10.060 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.902 -7.311 -8.547 1.00 0.00 O ATOM 0 H ASP A 68 9.281 -2.965 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 68 8.098 -4.702 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.027 -4.441 -8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.440 -5.606 -6.832 1.00 0.00 H new ATOM 989 N VAL A 69 8.299 -3.238 -5.076 1.00 0.00 N ATOM 990 CA VAL A 69 8.412 -2.589 -3.662 1.00 0.00 C ATOM 991 C VAL A 69 8.867 -3.584 -2.480 1.00 0.00 C ATOM 992 O VAL A 69 9.281 -3.121 -1.392 1.00 0.00 O ATOM 993 CB VAL A 69 7.216 -1.526 -3.224 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.163 -0.265 -4.059 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.788 -2.108 -2.958 1.00 0.00 C ATOM 0 H VAL A 69 7.409 -3.715 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 69 9.267 -1.931 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 69 7.565 -1.250 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.353 0.372 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.109 0.269 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.988 -0.527 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.111 -1.299 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.420 -2.596 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.836 -2.834 -2.147 1.00 0.00 H new ATOM 1005 N ARG A 70 8.839 -4.972 -2.795 1.00 0.00 N ATOM 1006 CA ARG A 70 9.228 -6.211 -1.887 1.00 0.00 C ATOM 1007 C ARG A 70 10.608 -6.109 -0.999 1.00 0.00 C ATOM 1008 O ARG A 70 10.704 -6.726 0.103 1.00 0.00 O ATOM 1009 CB ARG A 70 9.096 -7.618 -2.698 1.00 0.00 C ATOM 1010 CG ARG A 70 9.902 -7.827 -4.080 1.00 0.00 C ATOM 1011 CD ARG A 70 9.707 -9.233 -4.728 1.00 0.00 C ATOM 1012 NE ARG A 70 10.461 -10.380 -4.019 1.00 0.00 N ATOM 1013 CZ ARG A 70 10.629 -11.733 -4.412 1.00 0.00 C ATOM 1014 NH1 ARG A 70 10.118 -12.272 -5.565 1.00 0.00 N ATOM 1015 NH2 ARG A 70 11.328 -12.530 -3.615 1.00 0.00 N ATOM 0 H ARG A 70 8.536 -5.280 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 70 8.471 -6.182 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.403 -8.414 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.038 -7.772 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.585 -7.064 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.965 -7.669 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.643 -9.468 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.035 -9.188 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 70 10.904 -10.127 -3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.577 -11.690 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.279 -13.255 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.726 -12.165 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.468 -13.508 -3.867 1.00 0.00 H new ATOM 1029 N GLU A 71 11.626 -5.251 -1.546 1.00 0.00 N ATOM 1030 CA GLU A 71 12.983 -4.898 -1.003 1.00 0.00 C ATOM 1031 C GLU A 71 13.362 -3.415 -1.479 1.00 0.00 C ATOM 1032 O GLU A 71 14.096 -3.181 -2.521 1.00 0.00 O ATOM 1033 CB GLU A 71 14.126 -5.972 -1.351 1.00 0.00 C ATOM 1034 CG GLU A 71 14.288 -7.182 -0.369 1.00 0.00 C ATOM 1035 CD GLU A 71 15.399 -8.186 -0.762 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.097 -9.166 -1.497 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.564 -8.008 -0.309 1.00 0.00 O ATOM 0 H GLU A 71 11.465 -4.780 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 71 12.927 -4.925 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.927 -6.368 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.080 -5.447 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.500 -6.798 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.339 -7.715 -0.310 1.00 0.00 H new ATOM 1044 N VAL A 72 12.692 -2.400 -0.756 1.00 0.00 N ATOM 1045 CA VAL A 72 12.868 -0.871 -0.926 1.00 0.00 C ATOM 1046 C VAL A 72 12.830 -0.138 0.497 1.00 0.00 C ATOM 1047 O VAL A 72 12.241 -0.680 1.459 1.00 0.00 O ATOM 1048 CB VAL A 72 11.806 -0.101 -2.066 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.824 -0.654 -3.489 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.317 0.253 -1.614 1.00 0.00 C ATOM 0 H VAL A 72 12.009 -2.627 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 72 13.854 -0.757 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 72 12.318 0.861 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.122 -0.094 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.828 -0.559 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.536 -1.705 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.789 0.728 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.796 -0.661 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.347 0.934 -0.764 1.00 0.00 H new ATOM 1060 N THR A 73 13.404 1.152 0.537 1.00 0.00 N ATOM 1061 CA THR A 73 13.254 2.197 1.686 1.00 0.00 C ATOM 1062 C THR A 73 11.811 2.937 1.657 1.00 0.00 C ATOM 1063 O THR A 73 11.093 2.874 0.624 1.00 0.00 O ATOM 1064 CB THR A 73 14.448 3.304 1.716 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.856 3.766 0.413 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.652 2.873 2.540 1.00 0.00 C ATOM 0 H THR A 73 13.985 1.500 -0.226 1.00 0.00 H new ATOM 0 HA THR A 73 13.329 1.615 2.604 1.00 0.00 H new ATOM 0 HB THR A 73 13.995 4.157 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.572 4.428 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.409 3.657 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.344 2.697 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.068 1.955 2.124 1.00 0.00 H new ATOM 1074 N HIS A 74 11.400 3.599 2.859 1.00 0.00 N ATOM 1075 CA HIS A 74 10.123 4.486 3.116 1.00 0.00 C ATOM 1076 C HIS A 74 9.873 5.609 1.927 1.00 0.00 C ATOM 1077 O HIS A 74 8.851 5.492 1.137 1.00 0.00 O ATOM 1078 CB HIS A 74 10.289 5.101 4.622 1.00 0.00 C ATOM 1079 CG HIS A 74 9.100 5.857 5.317 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.037 7.245 5.409 1.00 0.00 N ATOM 1081 CD2 HIS A 74 8.013 5.399 6.015 1.00 0.00 C ATOM 1082 CE1 HIS A 74 7.975 7.602 6.131 1.00 0.00 C ATOM 1083 NE2 HIS A 74 7.342 6.501 6.506 1.00 0.00 N ATOM 0 H HIS A 74 11.968 3.527 3.703 1.00 0.00 H new ATOM 0 HA HIS A 74 9.209 3.895 3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.570 4.275 5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.134 5.789 4.596 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.733 4.365 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.682 8.614 6.369 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.492 6.472 7.069 1.00 0.00 H new ATOM 1092 N SER A 75 10.979 6.523 1.681 1.00 0.00 N ATOM 1093 CA SER A 75 11.038 7.636 0.592 1.00 0.00 C ATOM 1094 C SER A 75 10.937 7.069 -0.912 1.00 0.00 C ATOM 1095 O SER A 75 10.206 7.645 -1.728 1.00 0.00 O ATOM 1096 CB SER A 75 12.298 8.563 0.782 1.00 0.00 C ATOM 1097 OG SER A 75 12.254 9.283 2.012 1.00 0.00 O ATOM 0 H SER A 75 11.832 6.488 2.239 1.00 0.00 H new ATOM 0 HA SER A 75 10.146 8.246 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.202 7.956 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.358 9.267 -0.048 1.00 0.00 H new ATOM 0 HG SER A 75 13.054 9.844 2.091 1.00 0.00 H new ATOM 1103 N ALA A 76 11.557 5.771 -1.141 1.00 0.00 N ATOM 1104 CA ALA A 76 11.544 4.917 -2.420 1.00 0.00 C ATOM 1105 C ALA A 76 10.098 4.267 -2.773 1.00 0.00 C ATOM 1106 O ALA A 76 9.823 3.960 -3.979 1.00 0.00 O ATOM 1107 CB ALA A 76 12.624 3.825 -2.288 1.00 0.00 C ATOM 0 H ALA A 76 12.084 5.312 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 76 11.761 5.579 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.630 3.208 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.601 4.292 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.406 3.201 -1.421 1.00 0.00 H new ATOM 1113 N ALA A 77 9.160 4.123 -1.659 1.00 0.00 N ATOM 1114 CA ALA A 77 7.710 3.649 -1.746 1.00 0.00 C ATOM 1115 C ALA A 77 6.682 4.848 -1.962 1.00 0.00 C ATOM 1116 O ALA A 77 5.714 4.686 -2.741 1.00 0.00 O ATOM 1117 CB ALA A 77 7.350 2.781 -0.511 1.00 0.00 C ATOM 0 H ALA A 77 9.434 4.343 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 77 7.621 3.025 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.314 2.451 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.006 1.911 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.477 3.370 0.397 1.00 0.00 H new ATOM 1123 N VAL A 78 6.989 6.095 -1.296 1.00 0.00 N ATOM 1124 CA VAL A 78 6.176 7.459 -1.385 1.00 0.00 C ATOM 1125 C VAL A 78 6.393 8.202 -2.833 1.00 0.00 C ATOM 1126 O VAL A 78 5.413 8.697 -3.400 1.00 0.00 O ATOM 1127 CB VAL A 78 6.482 8.448 -0.036 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.754 9.832 0.008 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.053 7.761 1.246 1.00 0.00 C ATOM 0 H VAL A 78 7.803 6.179 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 78 5.111 7.231 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 78 7.554 8.621 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.035 10.362 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.044 10.423 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.675 9.676 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.259 8.413 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.985 7.546 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.606 6.829 1.362 1.00 0.00 H new ATOM 1139 N GLU A 79 7.708 8.183 -3.380 1.00 0.00 N ATOM 1140 CA GLU A 79 8.205 8.765 -4.783 1.00 0.00 C ATOM 1141 C GLU A 79 7.563 8.078 -6.076 1.00 0.00 C ATOM 1142 O GLU A 79 7.556 8.671 -7.176 1.00 0.00 O ATOM 1143 CB GLU A 79 9.767 8.769 -4.900 1.00 0.00 C ATOM 1144 CG GLU A 79 10.484 9.871 -4.069 1.00 0.00 C ATOM 1145 CD GLU A 79 12.024 9.926 -4.230 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.739 9.249 -3.441 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.513 10.669 -5.125 1.00 0.00 O ATOM 0 H GLU A 79 8.478 7.759 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 79 7.836 9.791 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.143 7.795 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.038 8.892 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.071 10.840 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.251 9.718 -3.015 1.00 0.00 H new ATOM 1154 N ALA A 80 7.000 6.790 -5.874 1.00 0.00 N ATOM 1155 CA ALA A 80 6.112 6.035 -6.847 1.00 0.00 C ATOM 1156 C ALA A 80 4.582 6.613 -6.858 1.00 0.00 C ATOM 1157 O ALA A 80 3.908 6.571 -7.923 1.00 0.00 O ATOM 1158 CB ALA A 80 6.192 4.512 -6.536 1.00 0.00 C ATOM 0 H ALA A 80 7.166 6.264 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 80 6.476 6.191 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.556 3.965 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.222 4.173 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.854 4.331 -5.516 1.00 0.00 H new ATOM 1164 N LEU A 81 4.104 7.217 -5.618 1.00 0.00 N ATOM 1165 CA LEU A 81 2.716 7.853 -5.372 1.00 0.00 C ATOM 1166 C LEU A 81 2.608 9.431 -5.613 1.00 0.00 C ATOM 1167 O LEU A 81 1.524 9.926 -6.048 1.00 0.00 O ATOM 1168 CB LEU A 81 2.102 7.385 -3.963 1.00 0.00 C ATOM 1169 CG LEU A 81 1.915 5.839 -3.739 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.448 5.416 -2.412 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.482 5.353 -3.947 1.00 0.00 C ATOM 0 H LEU A 81 4.694 7.258 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 81 2.087 7.455 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.746 7.766 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.130 7.864 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 81 2.503 5.354 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.304 4.343 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.512 5.648 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.919 5.947 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.434 4.278 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.180 5.863 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.168 5.571 -4.968 1.00 0.00 H new ATOM 1183 N LYS A 82 3.762 10.196 -5.316 1.00 0.00 N ATOM 1184 CA LYS A 82 3.946 11.718 -5.512 1.00 0.00 C ATOM 1185 C LYS A 82 4.439 12.139 -6.971 1.00 0.00 C ATOM 1186 O LYS A 82 3.934 13.167 -7.516 1.00 0.00 O ATOM 1187 CB LYS A 82 4.878 12.363 -4.382 1.00 0.00 C ATOM 1188 CG LYS A 82 4.202 12.657 -3.010 1.00 0.00 C ATOM 1189 CD LYS A 82 5.173 13.333 -2.034 1.00 0.00 C ATOM 1190 CE LYS A 82 4.498 13.691 -0.706 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.445 14.341 0.240 1.00 0.00 N ATOM 0 H LYS A 82 4.599 9.760 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 82 2.943 12.131 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.721 11.693 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.287 13.297 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.333 13.298 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.839 11.725 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.017 12.669 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.575 14.237 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.657 14.359 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.092 12.788 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.950 14.567 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.235 13.694 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.813 15.216 -0.184 1.00 0.00 H new ATOM 1205 N GLU A 83 5.406 11.285 -7.599 1.00 0.00 N ATOM 1206 CA GLU A 83 6.092 11.569 -8.997 1.00 0.00 C ATOM 1207 C GLU A 83 5.428 11.024 -10.319 1.00 0.00 C ATOM 1208 O GLU A 83 5.758 11.564 -11.450 1.00 0.00 O ATOM 1209 CB GLU A 83 7.601 11.276 -8.978 1.00 0.00 C ATOM 1210 CG GLU A 83 8.386 12.344 -8.233 1.00 0.00 C ATOM 1211 CD GLU A 83 9.932 12.214 -8.281 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.512 11.555 -7.375 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.561 12.799 -9.206 1.00 0.00 O ATOM 0 H GLU A 83 5.723 10.414 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 83 5.902 12.639 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.775 10.307 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.968 11.206 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.111 13.318 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.073 12.334 -7.189 1.00 0.00 H new ATOM 1220 N ALA A 84 4.419 10.009 -10.206 1.00 0.00 N ATOM 1221 CA ALA A 84 3.642 9.371 -11.445 1.00 0.00 C ATOM 1222 C ALA A 84 2.827 10.421 -12.396 1.00 0.00 C ATOM 1223 O ALA A 84 2.570 10.126 -13.616 1.00 0.00 O ATOM 1224 CB ALA A 84 2.800 8.155 -11.029 1.00 0.00 C ATOM 0 H ALA A 84 4.128 9.622 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 84 4.434 9.016 -12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.288 7.751 -11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.450 7.390 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.064 8.460 -10.285 1.00 0.00 H new ATOM 1230 N GLY A 85 2.484 11.657 -11.765 1.00 0.00 N ATOM 1231 CA GLY A 85 2.010 12.897 -12.455 1.00 0.00 C ATOM 1232 C GLY A 85 0.567 13.333 -12.278 1.00 0.00 C ATOM 1233 O GLY A 85 0.314 14.561 -12.212 1.00 0.00 O ATOM 0 H GLY A 85 2.544 11.776 -10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.645 13.720 -12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.186 12.767 -13.523 1.00 0.00 H new ATOM 1237 N SER A 86 -0.409 12.298 -12.161 1.00 0.00 N ATOM 1238 CA SER A 86 -1.965 12.423 -12.107 1.00 0.00 C ATOM 1239 C SER A 86 -2.682 11.047 -11.843 1.00 0.00 C ATOM 1240 O SER A 86 -3.734 11.023 -11.173 1.00 0.00 O ATOM 1241 CB SER A 86 -2.578 13.144 -13.412 1.00 0.00 C ATOM 1242 OG SER A 86 -2.316 12.457 -14.659 1.00 0.00 O ATOM 0 H SER A 86 -0.118 11.322 -12.100 1.00 0.00 H new ATOM 0 HA SER A 86 -2.168 13.065 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.656 13.240 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.173 14.154 -13.477 1.00 0.00 H new ATOM 0 HG SER A 86 -2.721 12.956 -15.399 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.064 9.902 -12.418 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.580 8.473 -12.356 1.00 0.00 C ATOM 1250 C ILE A 87 -1.516 7.572 -11.603 1.00 0.00 C ATOM 1251 O ILE A 87 -0.340 7.430 -12.049 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.077 7.862 -13.885 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.218 8.779 -14.688 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.428 6.279 -13.956 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.663 9.068 -14.071 1.00 0.00 C ATOM 0 H ILE A 87 -1.188 9.973 -12.936 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.502 8.453 -11.775 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.146 7.970 -14.441 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.760 9.749 -14.883 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.379 8.303 -15.655 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.727 6.018 -14.971 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.549 5.698 -13.676 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.244 6.056 -13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.238 9.683 -14.763 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.184 8.125 -13.906 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.555 9.593 -13.122 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.041 6.959 -10.484 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.325 6.010 -9.520 1.00 0.00 C ATOM 1269 C VAL A 88 -2.111 4.647 -9.302 1.00 0.00 C ATOM 1270 O VAL A 88 -3.272 4.662 -8.833 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.769 6.673 -8.086 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.380 7.648 -8.295 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.833 7.342 -7.125 1.00 0.00 C ATOM 0 H VAL A 88 -3.011 7.112 -10.209 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.402 5.779 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.434 5.775 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.699 8.046 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.215 7.131 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.051 8.467 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.330 7.727 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.329 8.161 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.573 6.599 -6.829 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.407 3.488 -9.642 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.930 2.046 -9.535 1.00 0.00 C ATOM 1285 C ARG A 89 -1.203 1.260 -8.326 1.00 0.00 C ATOM 1286 O ARG A 89 0.001 1.450 -8.069 1.00 0.00 O ATOM 1287 CB ARG A 89 -1.854 1.334 -11.011 1.00 0.00 C ATOM 1288 CG ARG A 89 -2.488 -0.048 -11.272 1.00 0.00 C ATOM 1289 CD ARG A 89 -2.320 -0.333 -12.739 1.00 0.00 C ATOM 1290 NE ARG A 89 -2.916 -1.659 -13.183 1.00 0.00 N ATOM 1291 CZ ARG A 89 -3.038 -2.199 -14.496 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -2.627 -1.557 -15.640 1.00 0.00 N ATOM 1293 NH2 ARG A 89 -3.585 -3.396 -14.630 1.00 0.00 N ATOM 0 H ARG A 89 -0.453 3.528 -10.001 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.984 2.024 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.303 2.028 -11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.798 1.252 -11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.002 -0.816 -10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.543 -0.048 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.783 0.471 -13.310 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.257 -0.325 -12.981 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.281 -2.247 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.202 -0.631 -15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.747 -2.006 -16.548 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.906 -3.905 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.686 -3.810 -15.557 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.069 0.482 -7.550 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.715 -0.424 -6.379 1.00 0.00 C ATOM 1309 C LEU A 90 -2.237 -1.920 -6.573 1.00 0.00 C ATOM 1310 O LEU A 90 -3.413 -2.149 -7.032 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.167 0.245 -4.928 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.660 0.705 -4.654 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.522 -0.400 -4.049 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.644 1.927 -3.808 1.00 0.00 C ATOM 0 H LEU A 90 -3.072 0.474 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.628 -0.504 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.912 -0.478 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.533 1.118 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.128 0.936 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.532 -0.025 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.557 -1.249 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.093 -0.716 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.667 2.250 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.148 1.708 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.105 2.721 -4.325 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.313 -2.912 -6.196 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.547 -4.406 -6.197 1.00 0.00 C ATOM 1328 C TYR A 91 -1.423 -4.985 -4.745 1.00 0.00 C ATOM 1329 O TYR A 91 -0.268 -5.048 -4.156 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.583 -5.169 -7.283 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.917 -6.676 -7.697 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.182 -7.071 -8.182 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.046 -7.654 -7.563 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.459 -8.349 -8.503 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.213 -8.964 -7.895 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.472 -9.317 -8.364 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.732 -10.623 -8.712 1.00 0.00 O ATOM 0 H TYR A 91 -0.373 -2.671 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.568 -4.597 -6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.578 -4.571 -8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.433 -5.155 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.953 -6.324 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.023 -7.386 -7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.440 -8.619 -8.865 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.558 -9.713 -7.792 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.934 -11.169 -8.554 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.654 -5.440 -4.232 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.919 -5.968 -2.781 1.00 0.00 C ATOM 1349 C VAL A 92 -3.137 -7.597 -2.653 1.00 0.00 C ATOM 1350 O VAL A 92 -3.560 -8.270 -3.657 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.129 -5.104 -1.972 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.818 -3.608 -1.802 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.564 -5.292 -2.566 1.00 0.00 C ATOM 0 H VAL A 92 -3.497 -5.455 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.978 -5.773 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.129 -5.558 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.640 -3.123 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.899 -3.490 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.694 -3.148 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.277 -4.704 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.575 -4.958 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.841 -6.345 -2.521 1.00 0.00 H new ATOM 1363 N MET A 93 -2.918 -8.128 -1.339 1.00 0.00 N ATOM 1364 CA MET A 93 -3.006 -9.626 -0.925 1.00 0.00 C ATOM 1365 C MET A 93 -4.032 -9.896 0.278 1.00 0.00 C ATOM 1366 O MET A 93 -3.770 -9.486 1.455 1.00 0.00 O ATOM 1367 CB MET A 93 -1.533 -10.411 -0.768 1.00 0.00 C ATOM 1368 CG MET A 93 -0.484 -10.032 0.369 1.00 0.00 C ATOM 1369 SD MET A 93 0.374 -8.468 0.122 1.00 0.00 S ATOM 1370 CE MET A 93 1.536 -8.507 1.484 1.00 0.00 C ATOM 0 H MET A 93 -2.678 -7.524 -0.553 1.00 0.00 H new ATOM 0 HA MET A 93 -3.450 -10.115 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.755 -11.471 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.016 -10.299 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.005 -9.996 1.326 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.257 -10.828 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.144 -7.603 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.991 -8.562 2.426 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.182 -9.380 1.387 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.224 -10.578 -0.085 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.386 -10.970 0.877 1.00 0.00 C ATOM 1382 C ARG A 94 -6.811 -12.502 0.767 1.00 0.00 C ATOM 1383 O ARG A 94 -7.363 -12.937 -0.274 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.673 -9.915 0.885 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.417 -9.562 -0.498 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.674 -8.651 -0.335 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.916 -9.360 0.249 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.212 -8.849 0.511 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.590 -7.550 0.280 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -13.121 -9.675 1.012 1.00 0.00 N ATOM 0 H ARG A 94 -5.403 -10.868 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.956 -10.859 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.423 -10.319 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.324 -8.977 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.708 -9.068 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.716 -10.491 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.416 -7.811 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.934 -8.237 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.784 -10.344 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.919 -6.884 -0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.542 -7.250 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.878 -10.648 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.063 -9.337 1.211 1.00 0.00 H new ATOM 1604 N SER B 8 2.936 9.612 5.630 1.00 0.00 N ATOM 1605 CA SER B 8 2.992 9.077 4.180 1.00 0.00 C ATOM 1606 C SER B 8 1.600 9.200 3.338 1.00 0.00 C ATOM 1607 O SER B 8 0.609 9.795 3.846 1.00 0.00 O ATOM 1608 CB SER B 8 3.546 7.597 4.206 1.00 0.00 C ATOM 1609 OG SER B 8 4.862 7.519 4.728 1.00 0.00 O ATOM 0 HA SER B 8 3.671 9.726 3.628 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.883 6.975 4.807 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.535 7.191 3.195 1.00 0.00 H new ATOM 0 HG SER B 8 5.059 6.593 4.981 1.00 0.00 H new ATOM 1615 N VAL B 9 1.598 8.639 2.002 1.00 0.00 N ATOM 1616 CA VAL B 9 0.440 8.653 0.988 1.00 0.00 C ATOM 1617 C VAL B 9 -0.100 7.133 0.852 1.00 0.00 C ATOM 1618 O VAL B 9 -0.920 6.765 1.663 1.00 0.00 O ATOM 1619 CB VAL B 9 0.870 9.353 -0.534 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.337 9.798 -1.355 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.833 10.577 -0.467 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.320 6.382 -0.053 1.00 0.00 O ATOM 0 H VAL B 9 2.422 8.168 1.628 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.357 9.302 1.352 1.00 0.00 H new ATOM 0 HB VAL B 9 1.391 8.522 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.002 10.228 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.976 8.939 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.901 10.546 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.036 10.936 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.369 11.373 0.115 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.768 10.279 0.007 1.00 0.00 H new