USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 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= 0.43 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) 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+ -138:sc= 0 (180deg=-0.758) 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=0.44) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 65 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.41) 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 41:sc= 0.347 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 156:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -5.828 -15.272 -2.386 1.00 0.00 N ATOM 70 CA GLU A 6 -6.617 -14.538 -3.497 1.00 0.00 C ATOM 71 C GLU A 6 -6.197 -13.004 -3.612 1.00 0.00 C ATOM 72 O GLU A 6 -6.291 -12.236 -2.612 1.00 0.00 O ATOM 73 CB GLU A 6 -8.253 -14.798 -3.471 1.00 0.00 C ATOM 74 CG GLU A 6 -9.094 -14.481 -2.138 1.00 0.00 C ATOM 75 CD GLU A 6 -10.612 -14.728 -2.267 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.350 -13.775 -2.641 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.069 -15.863 -1.966 1.00 0.00 O ATOM 0 HA GLU A 6 -6.314 -15.006 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.688 -14.208 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.419 -15.847 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.706 -15.094 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.930 -13.440 -1.859 1.00 0.00 H new ATOM 84 N TYR A 7 -5.731 -12.601 -4.874 1.00 0.00 N ATOM 85 CA TYR A 7 -5.122 -11.214 -5.222 1.00 0.00 C ATOM 86 C TYR A 7 -6.110 -10.258 -6.005 1.00 0.00 C ATOM 87 O TYR A 7 -6.949 -10.743 -6.843 1.00 0.00 O ATOM 88 CB TYR A 7 -3.743 -11.392 -6.044 1.00 0.00 C ATOM 89 CG TYR A 7 -2.543 -12.195 -5.384 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.465 -13.610 -5.434 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.503 -11.523 -4.771 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.396 -14.291 -4.893 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.418 -12.212 -4.220 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.372 -13.589 -4.291 1.00 0.00 C ATOM 95 OH TYR A 7 0.699 -14.267 -3.750 1.00 0.00 O ATOM 0 H TYR A 7 -5.764 -13.223 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.923 -10.727 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.985 -11.881 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.376 -10.395 -6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.261 -14.166 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.529 -10.445 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.360 -15.369 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.382 -11.668 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 7 1.332 -13.625 -3.366 1.00 0.00 H new ATOM 105 N GLU A 8 -5.989 -8.853 -5.694 1.00 0.00 N ATOM 106 CA GLU A 8 -6.868 -7.736 -6.305 1.00 0.00 C ATOM 107 C GLU A 8 -5.978 -6.518 -6.857 1.00 0.00 C ATOM 108 O GLU A 8 -5.032 -6.040 -6.163 1.00 0.00 O ATOM 109 CB GLU A 8 -8.035 -7.255 -5.224 1.00 0.00 C ATOM 110 CG GLU A 8 -9.332 -6.431 -5.737 1.00 0.00 C ATOM 111 CD GLU A 8 -10.378 -7.225 -6.586 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.246 -7.246 -7.835 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.327 -7.794 -5.991 1.00 0.00 O ATOM 0 H GLU A 8 -5.297 -8.498 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.388 -8.139 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.399 -8.151 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.543 -6.644 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.842 -6.022 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.985 -5.585 -6.330 1.00 0.00 H new ATOM 120 N GLU A 9 -6.331 -6.067 -8.164 1.00 0.00 N ATOM 121 CA GLU A 9 -5.739 -4.855 -8.901 1.00 0.00 C ATOM 122 C GLU A 9 -6.754 -3.616 -8.968 1.00 0.00 C ATOM 123 O GLU A 9 -7.849 -3.714 -9.622 1.00 0.00 O ATOM 124 CB GLU A 9 -5.029 -5.231 -10.335 1.00 0.00 C ATOM 125 CG GLU A 9 -5.871 -5.975 -11.489 1.00 0.00 C ATOM 126 CD GLU A 9 -5.069 -6.263 -12.778 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.068 -5.398 -13.695 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.468 -7.366 -12.883 1.00 0.00 O ATOM 0 H GLU A 9 -7.037 -6.548 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.909 -4.509 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.650 -4.302 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.164 -5.856 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.252 -6.917 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.736 -5.363 -11.743 1.00 0.00 H new ATOM 135 N ILE A 10 -6.364 -2.478 -8.224 1.00 0.00 N ATOM 136 CA ILE A 10 -7.194 -1.163 -8.083 1.00 0.00 C ATOM 137 C ILE A 10 -6.386 0.084 -8.802 1.00 0.00 C ATOM 138 O ILE A 10 -5.128 0.119 -8.782 1.00 0.00 O ATOM 139 CB ILE A 10 -7.617 -0.853 -6.450 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.341 -2.128 -5.741 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.605 0.419 -6.287 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.002 -2.355 -4.233 1.00 0.00 C ATOM 0 H ILE A 10 -5.482 -2.442 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.144 -1.278 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.666 -0.644 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.420 -2.007 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.071 -3.028 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.838 0.566 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.117 1.311 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.527 0.237 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.540 -3.230 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.930 -2.515 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.300 -1.479 -3.657 1.00 0.00 H new ATOM 154 N THR A 11 -7.214 1.080 -9.415 1.00 0.00 N ATOM 155 CA THR A 11 -6.728 2.374 -10.109 1.00 0.00 C ATOM 156 C THR A 11 -7.349 3.670 -9.359 1.00 0.00 C ATOM 157 O THR A 11 -8.598 3.767 -9.138 1.00 0.00 O ATOM 158 CB THR A 11 -7.056 2.409 -11.734 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.053 1.075 -12.298 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.968 3.203 -12.528 1.00 0.00 C ATOM 0 H THR A 11 -8.230 0.992 -9.432 1.00 0.00 H new ATOM 0 HA THR A 11 -5.641 2.393 -10.026 1.00 0.00 H new ATOM 0 HB THR A 11 -8.033 2.883 -11.824 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.251 1.125 -13.257 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.219 3.203 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.929 4.230 -12.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.996 2.731 -12.385 1.00 0.00 H new ATOM 168 N LEU A 12 -6.382 4.629 -8.984 1.00 0.00 N ATOM 169 CA LEU A 12 -6.607 5.969 -8.257 1.00 0.00 C ATOM 170 C LEU A 12 -5.999 7.230 -9.024 1.00 0.00 C ATOM 171 O LEU A 12 -5.035 7.088 -9.834 1.00 0.00 O ATOM 172 CB LEU A 12 -6.029 5.912 -6.695 1.00 0.00 C ATOM 173 CG LEU A 12 -6.824 5.233 -5.447 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.240 5.790 -5.141 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.787 3.697 -5.423 1.00 0.00 C ATOM 0 H LEU A 12 -5.394 4.479 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.688 6.110 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.063 5.410 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.836 6.945 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.218 5.572 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.664 5.257 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.170 6.852 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.881 5.652 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.342 3.333 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.240 3.308 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.753 3.359 -5.359 1.00 0.00 H new ATOM 284 N GLY A 20 -6.317 9.957 0.612 1.00 0.00 N ATOM 285 CA GLY A 20 -7.247 9.390 1.696 1.00 0.00 C ATOM 286 C GLY A 20 -6.792 8.155 2.527 1.00 0.00 C ATOM 287 O GLY A 20 -7.679 7.408 3.011 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.459 10.196 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.190 9.130 1.214 1.00 0.00 H new ATOM 291 N PHE A 21 -5.381 7.937 2.693 1.00 0.00 N ATOM 292 CA PHE A 21 -4.687 6.833 3.528 1.00 0.00 C ATOM 293 C PHE A 21 -3.183 7.309 3.937 1.00 0.00 C ATOM 294 O PHE A 21 -2.743 8.426 3.504 1.00 0.00 O ATOM 295 CB PHE A 21 -4.733 5.344 2.749 1.00 0.00 C ATOM 296 CG PHE A 21 -3.931 5.094 1.380 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.356 5.641 0.144 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.798 4.276 1.371 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.671 5.380 -1.030 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.110 4.020 0.187 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.548 4.572 -1.007 1.00 0.00 C ATOM 0 H PHE A 21 -4.701 8.544 2.235 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.239 6.686 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.381 4.600 3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.781 5.122 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.231 6.274 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.451 3.836 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.012 5.806 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.233 3.390 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.011 4.371 -1.922 1.00 0.00 H new ATOM 311 N SER A 22 -2.428 6.485 4.855 1.00 0.00 N ATOM 312 CA SER A 22 -0.937 6.632 5.159 1.00 0.00 C ATOM 313 C SER A 22 -0.246 5.210 5.220 1.00 0.00 C ATOM 314 O SER A 22 -0.871 4.213 5.738 1.00 0.00 O ATOM 315 CB SER A 22 -0.646 7.483 6.453 1.00 0.00 C ATOM 316 OG SER A 22 -1.081 8.833 6.339 1.00 0.00 O ATOM 0 H SER A 22 -2.861 5.724 5.378 1.00 0.00 H new ATOM 0 HA SER A 22 -0.497 7.197 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.141 7.018 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.424 7.468 6.658 1.00 0.00 H new ATOM 0 HG SER A 22 -0.586 9.276 5.619 1.00 0.00 H new ATOM 322 N ILE A 23 1.085 5.122 4.690 1.00 0.00 N ATOM 323 CA ILE A 23 1.906 3.797 4.530 1.00 0.00 C ATOM 324 C ILE A 23 3.264 3.606 5.276 1.00 0.00 C ATOM 325 O ILE A 23 4.159 4.479 5.238 1.00 0.00 O ATOM 326 CB ILE A 23 1.903 3.069 3.063 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.993 3.983 1.710 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.683 2.207 3.036 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.312 4.763 1.348 1.00 0.00 C ATOM 0 H ILE A 23 1.598 5.945 4.373 1.00 0.00 H new ATOM 0 HA ILE A 23 1.216 3.238 5.163 1.00 0.00 H new ATOM 0 HB ILE A 23 2.852 2.536 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.766 3.330 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.191 4.719 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.623 1.691 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.738 1.473 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.203 2.827 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.168 5.308 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.549 5.466 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.133 4.055 1.232 1.00 0.00 H new ATOM 341 N ALA A 24 3.363 2.339 5.966 1.00 0.00 N ATOM 342 CA ALA A 24 4.565 1.840 6.728 1.00 0.00 C ATOM 343 C ALA A 24 5.335 0.737 5.882 1.00 0.00 C ATOM 344 O ALA A 24 4.764 -0.348 5.545 1.00 0.00 O ATOM 345 CB ALA A 24 4.128 1.335 8.151 1.00 0.00 C ATOM 0 H ALA A 24 2.590 1.674 5.981 1.00 0.00 H new ATOM 0 HA ALA A 24 5.269 2.657 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.002 0.976 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.669 2.155 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.409 0.523 8.044 1.00 0.00 H new ATOM 351 N GLY A 25 6.637 1.084 5.545 1.00 0.00 N ATOM 352 CA GLY A 25 7.565 0.266 4.670 1.00 0.00 C ATOM 353 C GLY A 25 9.044 0.601 4.865 1.00 0.00 C ATOM 354 O GLY A 25 9.374 1.771 5.272 1.00 0.00 O ATOM 0 H GLY A 25 7.070 1.946 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.410 -0.792 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.300 0.425 3.625 1.00 0.00 H new ATOM 358 N GLY A 26 9.948 -0.436 4.553 1.00 0.00 N ATOM 359 CA GLY A 26 11.423 -0.295 4.848 1.00 0.00 C ATOM 360 C GLY A 26 12.354 -1.474 4.573 1.00 0.00 C ATOM 361 O GLY A 26 11.974 -2.661 4.756 1.00 0.00 O ATOM 0 H GLY A 26 9.681 -1.321 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.792 0.555 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.523 -0.037 5.902 1.00 0.00 H new ATOM 365 N THR A 27 13.604 -1.082 4.080 1.00 0.00 N ATOM 366 CA THR A 27 14.890 -1.951 4.021 1.00 0.00 C ATOM 367 C THR A 27 15.950 -1.548 5.142 1.00 0.00 C ATOM 368 O THR A 27 16.560 -2.458 5.777 1.00 0.00 O ATOM 369 CB THR A 27 15.611 -2.070 2.581 1.00 0.00 C ATOM 370 OG1 THR A 27 15.681 -0.828 1.859 1.00 0.00 O ATOM 371 CG2 THR A 27 15.049 -3.203 1.730 1.00 0.00 C ATOM 0 H THR A 27 13.758 -0.145 3.706 1.00 0.00 H new ATOM 0 HA THR A 27 14.507 -2.951 4.225 1.00 0.00 H new ATOM 0 HB THR A 27 16.644 -2.332 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.130 -0.974 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.572 -3.234 0.774 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.186 -4.151 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.986 -3.035 1.557 1.00 0.00 H new ATOM 379 N ASP A 28 16.116 -0.142 5.369 1.00 0.00 N ATOM 380 CA ASP A 28 17.020 0.515 6.424 1.00 0.00 C ATOM 381 C ASP A 28 16.207 1.087 7.694 1.00 0.00 C ATOM 382 O ASP A 28 16.749 1.060 8.844 1.00 0.00 O ATOM 383 CB ASP A 28 17.985 1.644 5.795 1.00 0.00 C ATOM 384 CG ASP A 28 19.126 1.121 4.878 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.901 1.006 3.648 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.235 0.846 5.397 1.00 0.00 O ATOM 0 H ASP A 28 15.614 0.549 4.811 1.00 0.00 H new ATOM 0 HA ASP A 28 17.654 -0.290 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.373 2.340 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.431 2.211 6.612 1.00 0.00 H new ATOM 391 N ASN A 29 14.861 1.557 7.444 1.00 0.00 N ATOM 392 CA ASN A 29 13.895 2.157 8.457 1.00 0.00 C ATOM 393 C ASN A 29 12.773 1.063 8.989 1.00 0.00 C ATOM 394 O ASN A 29 11.949 0.586 8.143 1.00 0.00 O ATOM 395 CB ASN A 29 13.214 3.526 7.924 1.00 0.00 C ATOM 396 CG ASN A 29 14.157 4.765 7.827 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.799 4.994 6.794 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.212 5.574 8.893 1.00 0.00 N ATOM 0 H ASN A 29 14.451 1.511 6.511 1.00 0.00 H new ATOM 0 HA ASN A 29 14.495 2.428 9.326 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.791 3.338 6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.384 3.777 8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.797 6.410 8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.669 5.355 9.728 1.00 0.00 H new ATOM 501 N SER A 37 8.630 -5.994 4.348 1.00 0.00 N ATOM 502 CA SER A 37 7.415 -5.743 3.405 1.00 0.00 C ATOM 503 C SER A 37 6.593 -4.406 3.746 1.00 0.00 C ATOM 504 O SER A 37 6.606 -3.943 4.928 1.00 0.00 O ATOM 505 CB SER A 37 6.466 -7.017 3.397 1.00 0.00 C ATOM 506 OG SER A 37 7.106 -8.160 2.831 1.00 0.00 O ATOM 0 HA SER A 37 7.820 -5.582 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.156 -7.244 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.562 -6.791 2.832 1.00 0.00 H new ATOM 0 HG SER A 37 6.489 -8.921 2.847 1.00 0.00 H new ATOM 512 N ILE A 38 5.858 -3.792 2.650 1.00 0.00 N ATOM 513 CA ILE A 38 5.035 -2.479 2.748 1.00 0.00 C ATOM 514 C ILE A 38 3.478 -2.830 3.086 1.00 0.00 C ATOM 515 O ILE A 38 2.749 -3.448 2.271 1.00 0.00 O ATOM 516 CB ILE A 38 5.241 -1.384 1.426 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.705 -1.366 0.571 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.820 0.110 1.751 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.126 -1.551 1.285 1.00 0.00 C ATOM 0 H ILE A 38 5.837 -4.201 1.716 1.00 0.00 H new ATOM 0 HA ILE A 38 5.444 -1.906 3.580 1.00 0.00 H new ATOM 0 HB ILE A 38 4.536 -1.854 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.633 -2.148 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.744 -0.414 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.980 0.733 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.767 0.139 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.424 0.487 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.918 -1.504 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.271 -0.757 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.158 -2.518 1.787 1.00 0.00 H new ATOM 531 N PHE A 39 3.073 -2.374 4.358 1.00 0.00 N ATOM 532 CA PHE A 39 1.790 -2.672 5.140 1.00 0.00 C ATOM 533 C PHE A 39 0.996 -1.332 5.516 1.00 0.00 C ATOM 534 O PHE A 39 1.636 -0.230 5.789 1.00 0.00 O ATOM 535 CB PHE A 39 2.268 -3.609 6.436 1.00 0.00 C ATOM 536 CG PHE A 39 1.383 -3.990 7.717 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.088 -4.539 7.655 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.961 -3.842 8.980 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.587 -4.908 8.817 1.00 0.00 C ATOM 540 CE2 PHE A 39 1.288 -4.205 10.143 1.00 0.00 C ATOM 541 CZ PHE A 39 0.015 -4.740 10.057 1.00 0.00 C ATOM 0 H PHE A 39 3.680 -1.750 4.889 1.00 0.00 H new ATOM 0 HA PHE A 39 1.054 -3.222 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.584 -4.560 6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.161 -3.125 6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.388 -4.676 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.958 -3.434 9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.581 -5.326 8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.757 -4.070 11.107 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.511 -5.027 10.955 1.00 0.00 H new ATOM 551 N ILE A 40 -0.443 -1.457 5.499 1.00 0.00 N ATOM 552 CA ILE A 40 -1.454 -0.358 5.884 1.00 0.00 C ATOM 553 C ILE A 40 -1.743 -0.400 7.456 1.00 0.00 C ATOM 554 O ILE A 40 -1.874 -1.503 8.079 1.00 0.00 O ATOM 555 CB ILE A 40 -2.925 -0.403 5.027 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.928 -1.088 3.520 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.704 1.001 5.007 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.035 -0.478 2.407 1.00 0.00 C ATOM 0 H ILE A 40 -0.902 -2.323 5.217 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.977 0.581 5.602 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.476 -1.115 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.641 -2.133 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.956 -1.078 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.631 0.895 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.933 1.304 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.077 1.758 4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.159 -1.049 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.327 0.558 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.991 -0.514 2.718 1.00 0.00 H new ATOM 570 N THR A 41 -1.865 0.867 8.013 1.00 0.00 N ATOM 571 CA THR A 41 -2.070 1.221 9.511 1.00 0.00 C ATOM 572 C THR A 41 -2.987 2.476 9.756 1.00 0.00 C ATOM 573 O THR A 41 -3.688 2.508 10.827 1.00 0.00 O ATOM 574 CB THR A 41 -0.729 1.275 10.444 1.00 0.00 C ATOM 575 OG1 THR A 41 0.363 1.917 9.785 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.299 -0.114 10.942 1.00 0.00 C ATOM 0 H THR A 41 -1.825 1.703 7.430 1.00 0.00 H new ATOM 0 HA THR A 41 -2.610 0.340 9.859 1.00 0.00 H new ATOM 0 HB THR A 41 -1.004 1.873 11.313 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.142 1.929 10.379 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.596 -0.019 11.557 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.102 -0.552 11.535 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.086 -0.757 10.088 1.00 0.00 H new ATOM 584 N LYS A 42 -3.035 3.518 8.719 1.00 0.00 N ATOM 585 CA LYS A 42 -3.893 4.755 8.831 1.00 0.00 C ATOM 586 C LYS A 42 -4.846 4.904 7.567 1.00 0.00 C ATOM 587 O LYS A 42 -4.386 4.832 6.380 1.00 0.00 O ATOM 588 CB LYS A 42 -2.959 6.055 9.122 1.00 0.00 C ATOM 589 CG LYS A 42 -3.553 7.256 9.958 1.00 0.00 C ATOM 590 CD LYS A 42 -4.125 8.409 9.103 1.00 0.00 C ATOM 591 CE LYS A 42 -4.678 9.509 9.992 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.077 10.719 9.231 1.00 0.00 N ATOM 0 H LYS A 42 -2.492 3.473 7.857 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.565 4.664 9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.063 5.707 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.639 6.452 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.342 6.876 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.771 7.653 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.344 8.813 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.912 8.030 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.541 9.128 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.927 9.783 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.771 11.569 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.629 10.703 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.111 10.734 9.120 1.00 0.00 H new ATOM 606 N ILE A 43 -6.206 5.046 7.904 1.00 0.00 N ATOM 607 CA ILE A 43 -7.356 5.311 6.957 1.00 0.00 C ATOM 608 C ILE A 43 -8.112 6.649 7.436 1.00 0.00 C ATOM 609 O ILE A 43 -8.501 6.771 8.645 1.00 0.00 O ATOM 610 CB ILE A 43 -8.392 3.918 6.744 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.659 2.583 6.073 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.847 4.152 6.085 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.944 2.698 4.644 1.00 0.00 C ATOM 0 H ILE A 43 -6.520 4.974 8.872 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.977 5.487 5.950 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.592 3.706 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.910 2.232 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.415 1.802 5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.373 3.200 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.421 4.840 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.731 4.574 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.523 1.731 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.675 3.002 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.147 3.439 4.695 1.00 0.00 H new ATOM 625 N ILE A 44 -8.304 7.618 6.425 1.00 0.00 N ATOM 626 CA ILE A 44 -9.094 8.934 6.565 1.00 0.00 C ATOM 627 C ILE A 44 -10.739 8.674 6.336 1.00 0.00 C ATOM 628 O ILE A 44 -11.092 8.026 5.315 1.00 0.00 O ATOM 629 CB ILE A 44 -8.409 10.221 5.616 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.945 10.693 6.059 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.243 11.546 5.543 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.767 9.796 5.742 1.00 0.00 C ATOM 0 H ILE A 44 -7.911 7.501 5.491 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.998 9.291 7.591 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.395 9.721 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.756 11.662 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.960 10.850 7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.717 12.274 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.220 11.338 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.373 11.950 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.850 10.258 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.905 8.830 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.698 9.654 4.663 1.00 0.00 H new ATOM 644 N PRO A 45 -11.769 9.223 7.341 1.00 0.00 N ATOM 645 CA PRO A 45 -13.321 9.051 7.203 1.00 0.00 C ATOM 646 C PRO A 45 -14.051 9.757 5.916 1.00 0.00 C ATOM 647 O PRO A 45 -15.156 9.278 5.493 1.00 0.00 O ATOM 648 CB PRO A 45 -13.872 9.613 8.575 1.00 0.00 C ATOM 649 CG PRO A 45 -12.696 9.621 9.516 1.00 0.00 C ATOM 650 CD PRO A 45 -11.497 9.973 8.671 1.00 0.00 C ATOM 0 HA PRO A 45 -13.551 8.004 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.281 10.616 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.677 8.986 8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.839 10.349 10.315 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.568 8.648 9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.415 11.049 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.567 9.645 9.135 1.00 0.00 H new ATOM 658 N GLY A 46 -13.362 10.861 5.324 1.00 0.00 N ATOM 659 CA GLY A 46 -13.836 11.624 4.117 1.00 0.00 C ATOM 660 C GLY A 46 -12.776 11.829 2.987 1.00 0.00 C ATOM 661 O GLY A 46 -12.708 12.958 2.431 1.00 0.00 O ATOM 0 H GLY A 46 -12.479 11.213 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.695 11.103 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.187 12.603 4.443 1.00 0.00 H new ATOM 665 N GLY A 47 -11.937 10.705 2.667 1.00 0.00 N ATOM 666 CA GLY A 47 -10.934 10.648 1.523 1.00 0.00 C ATOM 667 C GLY A 47 -11.440 9.941 0.209 1.00 0.00 C ATOM 668 O GLY A 47 -12.625 9.505 0.124 1.00 0.00 O ATOM 0 H GLY A 47 -11.963 9.841 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.635 11.666 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.041 10.130 1.872 1.00 0.00 H new ATOM 672 N ALA A 48 -10.473 9.849 -0.824 1.00 0.00 N ATOM 673 CA ALA A 48 -10.657 9.265 -2.240 1.00 0.00 C ATOM 674 C ALA A 48 -10.574 7.663 -2.353 1.00 0.00 C ATOM 675 O ALA A 48 -11.330 7.081 -3.154 1.00 0.00 O ATOM 676 CB ALA A 48 -9.694 9.978 -3.245 1.00 0.00 C ATOM 0 H ALA A 48 -9.523 10.191 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.692 9.478 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.832 9.558 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.916 11.045 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.662 9.829 -2.928 1.00 0.00 H new ATOM 682 N ALA A 49 -9.633 6.978 -1.502 1.00 0.00 N ATOM 683 CA ALA A 49 -9.401 5.449 -1.415 1.00 0.00 C ATOM 684 C ALA A 49 -10.443 4.623 -0.503 1.00 0.00 C ATOM 685 O ALA A 49 -10.678 3.391 -0.765 1.00 0.00 O ATOM 686 CB ALA A 49 -7.944 5.163 -1.032 1.00 0.00 C ATOM 0 H ALA A 49 -9.024 7.492 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.604 5.069 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.788 4.086 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.280 5.585 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.727 5.615 -0.064 1.00 0.00 H new ATOM 692 N ALA A 50 -11.096 5.361 0.554 1.00 0.00 N ATOM 693 CA ALA A 50 -12.155 4.840 1.528 1.00 0.00 C ATOM 694 C ALA A 50 -13.658 4.897 0.938 1.00 0.00 C ATOM 695 O ALA A 50 -14.428 3.909 1.118 1.00 0.00 O ATOM 696 CB ALA A 50 -12.033 5.587 2.905 1.00 0.00 C ATOM 0 H ALA A 50 -10.874 6.342 0.726 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.955 3.780 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.791 5.210 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.043 5.414 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.181 6.656 2.753 1.00 0.00 H new ATOM 702 N GLN A 51 -14.027 6.091 0.206 1.00 0.00 N ATOM 703 CA GLN A 51 -15.375 6.386 -0.476 1.00 0.00 C ATOM 704 C GLN A 51 -15.471 5.933 -2.020 1.00 0.00 C ATOM 705 O GLN A 51 -16.384 5.127 -2.349 1.00 0.00 O ATOM 706 CB GLN A 51 -15.828 7.922 -0.305 1.00 0.00 C ATOM 707 CG GLN A 51 -16.016 8.453 1.169 1.00 0.00 C ATOM 708 CD GLN A 51 -16.717 9.855 1.354 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.620 10.801 0.525 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.435 9.983 2.466 1.00 0.00 N ATOM 0 H GLN A 51 -13.369 6.862 0.091 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.080 5.752 0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.088 8.551 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.769 8.059 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.594 7.712 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.033 8.504 1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.500 9.206 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.920 10.859 2.662 1.00 0.00 H new ATOM 719 N ASP A 52 -14.481 6.465 -2.950 1.00 0.00 N ATOM 720 CA ASP A 52 -14.475 6.294 -4.476 1.00 0.00 C ATOM 721 C ASP A 52 -13.688 5.031 -5.085 1.00 0.00 C ATOM 722 O ASP A 52 -14.181 4.446 -6.104 1.00 0.00 O ATOM 723 CB ASP A 52 -14.029 7.653 -5.179 1.00 0.00 C ATOM 724 CG ASP A 52 -15.118 8.757 -5.275 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.857 8.787 -6.290 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.211 9.591 -4.341 1.00 0.00 O ATOM 0 H ASP A 52 -13.687 7.015 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.511 6.052 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.176 8.058 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.684 7.422 -6.187 1.00 0.00 H new ATOM 731 N GLY A 53 -12.492 4.588 -4.411 1.00 0.00 N ATOM 732 CA GLY A 53 -11.535 3.496 -4.924 1.00 0.00 C ATOM 733 C GLY A 53 -11.869 2.017 -4.553 1.00 0.00 C ATOM 734 O GLY A 53 -11.941 1.163 -5.463 1.00 0.00 O ATOM 0 H GLY A 53 -12.194 4.985 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.492 3.569 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.536 3.720 -4.549 1.00 0.00 H new ATOM 738 N ARG A 54 -12.085 1.743 -3.165 1.00 0.00 N ATOM 739 CA ARG A 54 -12.405 0.392 -2.420 1.00 0.00 C ATOM 740 C ARG A 54 -11.152 -0.419 -1.855 1.00 0.00 C ATOM 741 O ARG A 54 -10.846 -1.604 -2.258 1.00 0.00 O ATOM 742 CB ARG A 54 -13.622 -0.522 -2.976 1.00 0.00 C ATOM 743 CG ARG A 54 -15.048 0.023 -2.748 1.00 0.00 C ATOM 744 CD ARG A 54 -16.110 -0.937 -3.291 1.00 0.00 C ATOM 745 NE ARG A 54 -17.526 -0.428 -3.059 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.774 -1.024 -3.397 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.906 -2.230 -4.040 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.885 -0.374 -3.072 1.00 0.00 N ATOM 0 H ARG A 54 -12.037 2.509 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.865 0.809 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.479 -0.667 -4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.553 -1.504 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.211 0.183 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.150 0.993 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.950 -1.084 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.994 -1.910 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.590 0.476 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.076 -2.759 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.834 -2.597 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.828 0.525 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.795 -0.774 -3.300 1.00 0.00 H new ATOM 762 N LEU A 55 -10.338 0.358 -0.994 1.00 0.00 N ATOM 763 CA LEU A 55 -9.200 -0.103 -0.143 1.00 0.00 C ATOM 764 C LEU A 55 -9.574 -0.019 1.414 1.00 0.00 C ATOM 765 O LEU A 55 -10.119 1.025 1.918 1.00 0.00 O ATOM 766 CB LEU A 55 -7.864 0.745 -0.553 1.00 0.00 C ATOM 767 CG LEU A 55 -6.496 0.611 0.231 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.451 -0.205 -0.518 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.011 1.989 0.528 1.00 0.00 C ATOM 0 H LEU A 55 -10.493 1.361 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.987 -1.157 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.651 0.506 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.141 1.799 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.668 0.057 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.538 -0.258 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.831 -1.212 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.236 0.270 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.067 1.934 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.862 2.532 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.749 2.511 1.137 1.00 0.00 H new ATOM 781 N ARG A 56 -9.273 -1.186 2.105 1.00 0.00 N ATOM 782 CA ARG A 56 -9.310 -1.407 3.613 1.00 0.00 C ATOM 783 C ARG A 56 -7.832 -1.603 4.186 1.00 0.00 C ATOM 784 O ARG A 56 -6.902 -2.075 3.458 1.00 0.00 O ATOM 785 CB ARG A 56 -10.287 -2.624 4.045 1.00 0.00 C ATOM 786 CG ARG A 56 -11.786 -2.392 3.938 1.00 0.00 C ATOM 787 CD ARG A 56 -12.463 -3.618 4.456 1.00 0.00 C ATOM 788 NE ARG A 56 -13.977 -3.492 4.529 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.941 -4.398 5.055 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.632 -5.604 5.636 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.222 -4.058 4.985 1.00 0.00 N ATOM 0 H ARG A 56 -8.987 -2.030 1.609 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.736 -0.509 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.036 -3.490 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.060 -2.887 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.082 -1.516 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.073 -2.203 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.207 -4.462 3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.077 -3.844 5.450 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.359 -2.629 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.659 -5.899 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.376 -6.204 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.491 -3.169 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.937 -4.685 5.353 1.00 0.00 H new ATOM 805 N VAL A 57 -7.641 -1.247 5.538 1.00 0.00 N ATOM 806 CA VAL A 57 -6.348 -1.332 6.405 1.00 0.00 C ATOM 807 C VAL A 57 -5.638 -2.822 6.500 1.00 0.00 C ATOM 808 O VAL A 57 -4.397 -2.943 6.702 1.00 0.00 O ATOM 809 CB VAL A 57 -6.666 -0.626 7.838 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.520 -1.308 8.917 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.631 0.288 8.349 1.00 0.00 C ATOM 0 H VAL A 57 -8.419 -0.875 6.083 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.556 -0.782 5.898 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.476 -0.018 7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.599 -0.654 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.516 -1.507 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.052 -2.248 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.949 0.699 9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.697 -0.258 8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.480 1.100 7.638 1.00 0.00 H new ATOM 821 N ASN A 58 -6.549 -3.865 6.354 1.00 0.00 N ATOM 822 CA ASN A 58 -6.299 -5.319 6.340 1.00 0.00 C ATOM 823 C ASN A 58 -6.052 -5.902 4.794 1.00 0.00 C ATOM 824 O ASN A 58 -5.944 -7.161 4.616 1.00 0.00 O ATOM 825 CB ASN A 58 -7.534 -5.983 7.154 1.00 0.00 C ATOM 826 CG ASN A 58 -7.342 -7.422 7.791 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.618 -8.301 7.279 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.005 -7.638 8.921 1.00 0.00 N ATOM 0 H ASN A 58 -7.542 -3.665 6.236 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.365 -5.590 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.805 -5.299 7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.387 -6.033 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.930 -8.539 9.392 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.590 -6.902 9.318 1.00 0.00 H new ATOM 835 N ASP A 59 -5.884 -4.919 3.688 1.00 0.00 N ATOM 836 CA ASP A 59 -5.653 -5.327 2.202 1.00 0.00 C ATOM 837 C ASP A 59 -4.142 -5.554 1.764 1.00 0.00 C ATOM 838 O ASP A 59 -3.877 -6.432 0.876 1.00 0.00 O ATOM 839 CB ASP A 59 -6.454 -4.431 1.164 1.00 0.00 C ATOM 840 CG ASP A 59 -7.904 -4.897 0.885 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.103 -5.711 -0.052 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.826 -4.440 1.584 1.00 0.00 O ATOM 0 H ASP A 59 -5.910 -3.910 3.834 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.088 -6.326 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.482 -3.407 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.906 -4.413 0.222 1.00 0.00 H new ATOM 847 N SER A 60 -3.112 -4.734 2.423 1.00 0.00 N ATOM 848 CA SER A 60 -1.523 -4.786 2.256 1.00 0.00 C ATOM 849 C SER A 60 -0.960 -4.913 0.764 1.00 0.00 C ATOM 850 O SER A 60 -1.248 -5.931 0.051 1.00 0.00 O ATOM 851 CB SER A 60 -0.838 -5.838 3.236 1.00 0.00 C ATOM 852 OG SER A 60 -1.067 -5.519 4.595 1.00 0.00 O ATOM 0 H SER A 60 -3.383 -4.013 3.092 1.00 0.00 H new ATOM 0 HA SER A 60 -1.222 -3.783 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.226 -6.835 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.235 -5.867 3.046 1.00 0.00 H new ATOM 0 HG SER A 60 -0.633 -6.187 5.166 1.00 0.00 H new ATOM 858 N ILE A 61 -0.120 -3.872 0.325 1.00 0.00 N ATOM 859 CA ILE A 61 0.443 -3.736 -1.123 1.00 0.00 C ATOM 860 C ILE A 61 1.809 -4.602 -1.293 1.00 0.00 C ATOM 861 O ILE A 61 2.748 -4.495 -0.449 1.00 0.00 O ATOM 862 CB ILE A 61 0.638 -2.117 -1.660 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.659 -1.173 -1.287 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.875 -2.076 -3.270 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.458 0.394 -1.200 1.00 0.00 C ATOM 0 H ILE A 61 0.183 -3.118 0.942 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.320 -4.152 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 61 1.510 -1.719 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.433 -1.366 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.048 -1.510 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.997 -1.042 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.772 -2.643 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.015 -2.516 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.406 0.869 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.281 0.624 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.110 0.770 -2.162 1.00 0.00 H new ATOM 877 N LEU A 62 1.826 -5.458 -2.440 1.00 0.00 N ATOM 878 CA LEU A 62 3.050 -6.200 -2.953 1.00 0.00 C ATOM 879 C LEU A 62 3.778 -5.429 -4.101 1.00 0.00 C ATOM 880 O LEU A 62 5.038 -5.303 -4.058 1.00 0.00 O ATOM 881 CB LEU A 62 2.782 -7.782 -3.310 1.00 0.00 C ATOM 882 CG LEU A 62 1.717 -8.256 -4.403 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.077 -9.622 -4.862 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.305 -8.316 -3.861 1.00 0.00 C ATOM 0 H LEU A 62 0.993 -5.630 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 62 3.740 -6.226 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.743 -8.199 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.504 -8.268 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 62 1.743 -7.525 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.357 -9.957 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.075 -9.607 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.064 -10.306 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.373 -8.644 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.264 -9.020 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.006 -7.327 -3.513 1.00 0.00 H new ATOM 896 N PHE A 63 2.922 -4.894 -5.142 1.00 0.00 N ATOM 897 CA PHE A 63 3.438 -4.192 -6.406 1.00 0.00 C ATOM 898 C PHE A 63 2.713 -2.879 -6.688 1.00 0.00 C ATOM 899 O PHE A 63 1.459 -2.823 -6.630 1.00 0.00 O ATOM 900 CB PHE A 63 3.435 -5.187 -7.713 1.00 0.00 C ATOM 901 CG PHE A 63 4.512 -6.341 -7.709 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.315 -7.525 -6.994 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.693 -6.199 -8.401 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.250 -8.524 -6.978 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.637 -7.181 -8.407 1.00 0.00 C ATOM 906 CZ PHE A 63 6.427 -8.364 -7.699 1.00 0.00 C ATOM 0 H PHE A 63 1.904 -4.951 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 63 4.478 -3.933 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.447 -5.640 -7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.585 -4.581 -8.606 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.398 -7.656 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.876 -5.288 -8.952 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.075 -9.427 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.553 -7.043 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.171 -9.147 -7.711 1.00 0.00 H new ATOM 916 N VAL A 64 3.539 -1.761 -6.946 1.00 0.00 N ATOM 917 CA VAL A 64 2.978 -0.370 -7.257 1.00 0.00 C ATOM 918 C VAL A 64 3.423 0.160 -8.635 1.00 0.00 C ATOM 919 O VAL A 64 4.529 -0.050 -9.001 1.00 0.00 O ATOM 920 CB VAL A 64 3.053 0.653 -5.976 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.213 1.610 -5.674 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.734 0.955 -5.321 1.00 0.00 C ATOM 0 H VAL A 64 4.558 -1.804 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 64 1.901 -0.461 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 64 3.658 -0.078 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.996 2.168 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.131 1.038 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.337 2.305 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.890 1.639 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.064 1.416 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.290 0.030 -4.954 1.00 0.00 H new ATOM 932 N ASN A 65 2.462 0.879 -9.406 1.00 0.00 N ATOM 933 CA ASN A 65 2.622 1.451 -10.877 1.00 0.00 C ATOM 934 C ASN A 65 2.631 0.260 -11.986 1.00 0.00 C ATOM 935 O ASN A 65 1.636 0.043 -12.695 1.00 0.00 O ATOM 936 CB ASN A 65 3.894 2.558 -11.033 1.00 0.00 C ATOM 937 CG ASN A 65 3.614 4.035 -10.662 1.00 0.00 C ATOM 938 OD1 ASN A 65 2.799 4.368 -9.774 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.307 4.933 -11.348 1.00 0.00 N ATOM 0 H ASN A 65 1.538 1.085 -9.025 1.00 0.00 H new ATOM 0 HA ASN A 65 1.733 2.046 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.721 2.208 -10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.236 2.531 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.183 5.927 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.964 4.630 -12.066 1.00 0.00 H new ATOM 946 N GLU A 66 3.837 -0.469 -12.049 1.00 0.00 N ATOM 947 CA GLU A 66 4.256 -1.758 -12.786 1.00 0.00 C ATOM 948 C GLU A 66 5.568 -2.378 -12.028 1.00 0.00 C ATOM 949 O GLU A 66 6.130 -3.445 -12.466 1.00 0.00 O ATOM 950 CB GLU A 66 4.600 -1.518 -14.400 1.00 0.00 C ATOM 951 CG GLU A 66 3.406 -1.245 -15.428 1.00 0.00 C ATOM 952 CD GLU A 66 2.493 -2.466 -15.789 1.00 0.00 C ATOM 953 OE1 GLU A 66 1.470 -2.680 -15.089 1.00 0.00 O ATOM 954 OE2 GLU A 66 2.802 -3.176 -16.779 1.00 0.00 O ATOM 0 H GLU A 66 4.634 -0.120 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 66 3.412 -2.447 -12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.287 -0.674 -14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.140 -2.397 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.774 -0.459 -15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.835 -0.856 -16.352 1.00 0.00 H new ATOM 961 N VAL A 67 5.951 -1.739 -10.769 1.00 0.00 N ATOM 962 CA VAL A 67 7.260 -1.894 -10.045 1.00 0.00 C ATOM 963 C VAL A 67 7.227 -2.797 -8.758 1.00 0.00 C ATOM 964 O VAL A 67 6.169 -2.880 -8.030 1.00 0.00 O ATOM 965 CB VAL A 67 8.116 -0.464 -9.790 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.566 0.191 -11.050 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.515 0.591 -8.780 1.00 0.00 C ATOM 0 H VAL A 67 5.314 -1.112 -10.277 1.00 0.00 H new ATOM 0 HA VAL A 67 7.836 -2.460 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 67 8.986 -0.849 -9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.110 1.105 -10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.219 -0.487 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.698 0.435 -11.663 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.176 1.456 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.532 0.908 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.422 0.138 -7.793 1.00 0.00 H new ATOM 977 N ASP A 68 8.509 -3.309 -8.439 1.00 0.00 N ATOM 978 CA ASP A 68 8.880 -4.173 -7.305 1.00 0.00 C ATOM 979 C ASP A 68 9.261 -3.359 -6.002 1.00 0.00 C ATOM 980 O ASP A 68 10.421 -2.835 -5.857 1.00 0.00 O ATOM 981 CB ASP A 68 9.886 -5.417 -7.685 1.00 0.00 C ATOM 982 CG ASP A 68 11.271 -5.080 -8.364 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.326 -5.028 -9.614 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.265 -4.885 -7.627 1.00 0.00 O ATOM 0 H ASP A 68 9.317 -3.092 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 68 7.964 -4.698 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.091 -5.970 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.345 -6.091 -8.350 1.00 0.00 H new ATOM 989 N VAL A 69 8.184 -3.201 -5.115 1.00 0.00 N ATOM 990 CA VAL A 69 8.283 -2.554 -3.697 1.00 0.00 C ATOM 991 C VAL A 69 8.667 -3.573 -2.524 1.00 0.00 C ATOM 992 O VAL A 69 9.036 -3.146 -1.412 1.00 0.00 O ATOM 993 CB VAL A 69 7.122 -1.450 -3.278 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.169 -0.184 -4.065 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.651 -1.957 -3.084 1.00 0.00 C ATOM 0 H VAL A 69 7.239 -3.508 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 69 9.156 -1.914 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 69 7.441 -1.231 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.376 0.484 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.136 0.299 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.030 -0.408 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.010 -1.118 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.294 -2.401 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.625 -2.705 -2.292 1.00 0.00 H new ATOM 1005 N ARG A 70 8.680 -4.945 -2.898 1.00 0.00 N ATOM 1006 CA ARG A 70 9.037 -6.210 -1.996 1.00 0.00 C ATOM 1007 C ARG A 70 10.420 -6.111 -1.130 1.00 0.00 C ATOM 1008 O ARG A 70 10.530 -6.729 -0.027 1.00 0.00 O ATOM 1009 CB ARG A 70 9.014 -7.548 -2.850 1.00 0.00 C ATOM 1010 CG ARG A 70 7.601 -8.144 -3.195 1.00 0.00 C ATOM 1011 CD ARG A 70 7.661 -9.495 -3.984 1.00 0.00 C ATOM 1012 NE ARG A 70 8.081 -10.727 -3.143 1.00 0.00 N ATOM 1013 CZ ARG A 70 8.323 -12.062 -3.553 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.219 -12.503 -4.848 1.00 0.00 N ATOM 1015 NH2 ARG A 70 8.674 -12.944 -2.626 1.00 0.00 N ATOM 0 H ARG A 70 8.441 -5.225 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 70 8.245 -6.225 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.542 -7.363 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.580 -8.306 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.046 -8.299 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.043 -7.415 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.680 -9.688 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.361 -9.384 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 70 8.201 -10.551 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.952 -11.854 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.408 -13.480 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.762 -12.653 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.856 -13.913 -2.887 1.00 0.00 H new ATOM 1029 N GLU A 71 11.440 -5.244 -1.683 1.00 0.00 N ATOM 1030 CA GLU A 71 12.786 -4.868 -1.139 1.00 0.00 C ATOM 1031 C GLU A 71 13.155 -3.369 -1.603 1.00 0.00 C ATOM 1032 O GLU A 71 13.850 -3.125 -2.666 1.00 0.00 O ATOM 1033 CB GLU A 71 13.950 -5.921 -1.481 1.00 0.00 C ATOM 1034 CG GLU A 71 14.110 -7.144 -0.514 1.00 0.00 C ATOM 1035 CD GLU A 71 15.244 -8.127 -0.901 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.969 -9.099 -1.656 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.397 -7.940 -0.422 1.00 0.00 O ATOM 0 H GLU A 71 11.279 -4.787 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 71 12.716 -4.898 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.775 -6.305 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.897 -5.383 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.297 -6.772 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.168 -7.691 -0.482 1.00 0.00 H new ATOM 1044 N VAL A 72 12.520 -2.357 -0.843 1.00 0.00 N ATOM 1045 CA VAL A 72 12.761 -0.814 -0.959 1.00 0.00 C ATOM 1046 C VAL A 72 12.736 -0.172 0.494 1.00 0.00 C ATOM 1047 O VAL A 72 12.193 -0.771 1.445 1.00 0.00 O ATOM 1048 CB VAL A 72 11.685 0.059 -2.046 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.664 -0.478 -3.500 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.223 0.468 -1.595 1.00 0.00 C ATOM 0 H VAL A 72 11.826 -2.584 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 72 13.740 -0.707 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 72 12.215 1.010 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.975 0.118 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.665 -0.413 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.337 -1.518 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.726 0.997 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.655 -0.428 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.280 1.117 -0.721 1.00 0.00 H new ATOM 1060 N THR A 73 13.246 1.105 0.551 1.00 0.00 N ATOM 1061 CA THR A 73 13.149 2.120 1.728 1.00 0.00 C ATOM 1062 C THR A 73 11.706 2.852 1.752 1.00 0.00 C ATOM 1063 O THR A 73 10.950 2.774 0.748 1.00 0.00 O ATOM 1064 CB THR A 73 14.342 3.232 1.724 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.671 3.737 0.413 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.592 2.781 2.463 1.00 0.00 C ATOM 0 H THR A 73 13.760 1.497 -0.238 1.00 0.00 H new ATOM 0 HA THR A 73 13.269 1.530 2.637 1.00 0.00 H new ATOM 0 HB THR A 73 13.919 4.067 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.390 4.398 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.344 3.569 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.344 2.572 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.985 1.878 1.995 1.00 0.00 H new ATOM 1074 N HIS A 74 11.348 3.560 2.939 1.00 0.00 N ATOM 1075 CA HIS A 74 10.053 4.421 3.212 1.00 0.00 C ATOM 1076 C HIS A 74 9.776 5.506 1.992 1.00 0.00 C ATOM 1077 O HIS A 74 8.758 5.348 1.186 1.00 0.00 O ATOM 1078 CB HIS A 74 10.247 5.079 4.699 1.00 0.00 C ATOM 1079 CG HIS A 74 9.077 5.867 5.390 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.006 7.257 5.399 1.00 0.00 N ATOM 1081 CD2 HIS A 74 8.022 5.446 6.158 1.00 0.00 C ATOM 1082 CE1 HIS A 74 7.970 7.654 6.140 1.00 0.00 C ATOM 1083 NE2 HIS A 74 7.361 6.574 6.607 1.00 0.00 N ATOM 0 H HIS A 74 11.963 3.550 3.753 1.00 0.00 H new ATOM 0 HA HIS A 74 9.145 3.818 3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.529 4.270 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.099 5.757 4.640 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.756 4.421 6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.679 8.677 6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.534 6.575 7.204 1.00 0.00 H new ATOM 1092 N SER A 75 10.897 6.383 1.709 1.00 0.00 N ATOM 1093 CA SER A 75 10.970 7.456 0.625 1.00 0.00 C ATOM 1094 C SER A 75 10.886 6.857 -0.882 1.00 0.00 C ATOM 1095 O SER A 75 10.265 7.503 -1.722 1.00 0.00 O ATOM 1096 CB SER A 75 12.237 8.372 0.875 1.00 0.00 C ATOM 1097 OG SER A 75 12.293 9.534 0.025 1.00 0.00 O ATOM 0 H SER A 75 11.759 6.332 2.252 1.00 0.00 H new ATOM 0 HA SER A 75 10.081 8.082 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.240 8.695 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.138 7.778 0.723 1.00 0.00 H new ATOM 0 HG SER A 75 13.097 10.053 0.234 1.00 0.00 H new ATOM 1103 N ALA A 76 11.364 5.478 -1.105 1.00 0.00 N ATOM 1104 CA ALA A 76 11.350 4.729 -2.414 1.00 0.00 C ATOM 1105 C ALA A 76 9.889 4.115 -2.769 1.00 0.00 C ATOM 1106 O ALA A 76 9.592 3.834 -3.974 1.00 0.00 O ATOM 1107 CB ALA A 76 12.438 3.655 -2.342 1.00 0.00 C ATOM 0 H ALA A 76 11.753 4.919 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 76 11.561 5.416 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.456 3.092 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.407 4.129 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.227 2.978 -1.514 1.00 0.00 H new ATOM 1113 N ALA A 77 8.966 3.971 -1.640 1.00 0.00 N ATOM 1114 CA ALA A 77 7.493 3.570 -1.708 1.00 0.00 C ATOM 1115 C ALA A 77 6.513 4.824 -1.889 1.00 0.00 C ATOM 1116 O ALA A 77 5.497 4.702 -2.614 1.00 0.00 O ATOM 1117 CB ALA A 77 7.109 2.720 -0.471 1.00 0.00 C ATOM 0 H ALA A 77 9.271 4.141 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 77 7.365 2.961 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.057 2.442 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.722 1.819 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.278 3.301 0.436 1.00 0.00 H new ATOM 1123 N VAL A 78 6.900 6.063 -1.239 1.00 0.00 N ATOM 1124 CA VAL A 78 6.156 7.471 -1.340 1.00 0.00 C ATOM 1125 C VAL A 78 6.437 8.189 -2.793 1.00 0.00 C ATOM 1126 O VAL A 78 5.485 8.682 -3.397 1.00 0.00 O ATOM 1127 CB VAL A 78 6.514 8.459 0.003 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.824 9.863 0.035 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.065 7.800 1.297 1.00 0.00 C ATOM 0 H VAL A 78 7.724 6.111 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 78 5.080 7.301 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 78 7.592 8.591 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.128 10.398 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.121 10.434 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.741 9.736 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.305 8.450 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.989 7.630 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.579 6.846 1.417 1.00 0.00 H new ATOM 1139 N GLU A 79 7.771 8.136 -3.315 1.00 0.00 N ATOM 1140 CA GLU A 79 8.307 8.716 -4.715 1.00 0.00 C ATOM 1141 C GLU A 79 7.679 8.036 -6.013 1.00 0.00 C ATOM 1142 O GLU A 79 7.643 8.651 -7.095 1.00 0.00 O ATOM 1143 CB GLU A 79 9.877 8.709 -4.823 1.00 0.00 C ATOM 1144 CG GLU A 79 10.602 9.768 -3.947 1.00 0.00 C ATOM 1145 CD GLU A 79 12.141 9.827 -4.119 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.623 10.610 -4.982 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.862 9.114 -3.366 1.00 0.00 O ATOM 0 H GLU A 79 8.520 7.691 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 79 7.955 9.747 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.241 7.720 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.155 8.870 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.189 10.750 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.377 9.565 -2.900 1.00 0.00 H new ATOM 1154 N ALA A 80 7.150 6.729 -5.830 1.00 0.00 N ATOM 1155 CA ALA A 80 6.293 5.950 -6.809 1.00 0.00 C ATOM 1156 C ALA A 80 4.754 6.477 -6.831 1.00 0.00 C ATOM 1157 O ALA A 80 4.081 6.381 -7.893 1.00 0.00 O ATOM 1158 CB ALA A 80 6.407 4.437 -6.497 1.00 0.00 C ATOM 0 H ALA A 80 7.326 6.202 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 80 6.665 6.119 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.792 3.873 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.447 4.123 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.063 4.248 -5.480 1.00 0.00 H new ATOM 1164 N LEU A 81 4.256 7.080 -5.595 1.00 0.00 N ATOM 1165 CA LEU A 81 2.853 7.664 -5.357 1.00 0.00 C ATOM 1166 C LEU A 81 2.706 9.227 -5.622 1.00 0.00 C ATOM 1167 O LEU A 81 1.603 9.692 -5.985 1.00 0.00 O ATOM 1168 CB LEU A 81 2.263 7.224 -3.902 1.00 0.00 C ATOM 1169 CG LEU A 81 2.415 5.712 -3.316 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.619 5.525 -2.112 1.00 0.00 C ATOM 1171 CD2 LEU A 81 2.121 4.559 -4.272 1.00 0.00 C ATOM 0 H LEU A 81 4.846 7.154 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 81 2.232 7.214 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.716 7.890 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.196 7.446 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 81 3.484 5.655 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.744 4.505 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.948 6.227 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.568 5.703 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.261 3.611 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.092 4.632 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.800 4.610 -5.123 1.00 0.00 H new ATOM 1183 N LYS A 82 3.865 10.017 -5.409 1.00 0.00 N ATOM 1184 CA LYS A 82 4.025 11.527 -5.671 1.00 0.00 C ATOM 1185 C LYS A 82 4.487 11.867 -7.161 1.00 0.00 C ATOM 1186 O LYS A 82 3.927 12.820 -7.775 1.00 0.00 O ATOM 1187 CB LYS A 82 4.966 12.239 -4.582 1.00 0.00 C ATOM 1188 CG LYS A 82 4.313 12.568 -3.209 1.00 0.00 C ATOM 1189 CD LYS A 82 5.329 13.261 -2.247 1.00 0.00 C ATOM 1190 CE LYS A 82 4.724 13.730 -0.878 1.00 0.00 C ATOM 1191 NZ LYS A 82 3.846 14.966 -0.962 1.00 0.00 N ATOM 0 H LYS A 82 4.723 9.604 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 82 3.025 11.946 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.828 11.597 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.343 13.167 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.451 13.218 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.943 11.651 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.149 12.571 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.757 14.126 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.138 12.913 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.541 13.928 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.490 15.204 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.402 15.763 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.043 14.779 -1.597 1.00 0.00 H new ATOM 1205 N GLU A 83 5.506 11.031 -7.729 1.00 0.00 N ATOM 1206 CA GLU A 83 6.137 11.212 -9.173 1.00 0.00 C ATOM 1207 C GLU A 83 5.480 10.433 -10.404 1.00 0.00 C ATOM 1208 O GLU A 83 5.951 10.587 -11.608 1.00 0.00 O ATOM 1209 CB GLU A 83 7.666 11.068 -9.152 1.00 0.00 C ATOM 1210 CG GLU A 83 8.371 12.269 -8.518 1.00 0.00 C ATOM 1211 CD GLU A 83 9.921 12.257 -8.581 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.491 12.797 -9.569 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.562 11.736 -7.626 1.00 0.00 O ATOM 0 H GLU A 83 5.903 10.240 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 83 5.861 12.242 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.933 10.165 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.027 10.939 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.014 13.175 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.070 12.332 -7.472 1.00 0.00 H new ATOM 1220 N ALA A 84 4.309 9.668 -10.132 1.00 0.00 N ATOM 1221 CA ALA A 84 3.442 8.909 -11.222 1.00 0.00 C ATOM 1222 C ALA A 84 2.756 9.889 -12.336 1.00 0.00 C ATOM 1223 O ALA A 84 2.487 9.455 -13.504 1.00 0.00 O ATOM 1224 CB ALA A 84 2.428 7.967 -10.554 1.00 0.00 C ATOM 0 H ALA A 84 3.941 9.556 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 84 4.139 8.301 -11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.845 7.457 -11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.958 7.230 -9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.761 8.545 -9.915 1.00 0.00 H new ATOM 1230 N GLY A 85 2.537 11.221 -11.884 1.00 0.00 N ATOM 1231 CA GLY A 85 2.197 12.415 -12.726 1.00 0.00 C ATOM 1232 C GLY A 85 0.815 13.043 -12.561 1.00 0.00 C ATOM 1233 O GLY A 85 0.703 14.285 -12.645 1.00 0.00 O ATOM 0 H GLY A 85 2.602 11.460 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.940 13.187 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.310 12.128 -13.772 1.00 0.00 H new ATOM 1237 N SER A 86 -0.260 12.148 -12.275 1.00 0.00 N ATOM 1238 CA SER A 86 -1.809 12.421 -12.170 1.00 0.00 C ATOM 1239 C SER A 86 -2.619 11.083 -11.876 1.00 0.00 C ATOM 1240 O SER A 86 -3.684 11.145 -11.219 1.00 0.00 O ATOM 1241 CB SER A 86 -2.423 13.083 -13.494 1.00 0.00 C ATOM 1242 OG SER A 86 -2.152 14.475 -13.593 1.00 0.00 O ATOM 0 H SER A 86 -0.061 11.163 -12.102 1.00 0.00 H new ATOM 0 HA SER A 86 -1.915 13.123 -11.343 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.017 12.576 -14.369 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.502 12.926 -13.506 1.00 0.00 H new ATOM 0 HG SER A 86 -1.233 14.651 -13.301 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.080 9.860 -12.417 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.703 8.465 -12.327 1.00 0.00 C ATOM 1250 C ILE A 87 -1.648 7.481 -11.673 1.00 0.00 C ATOM 1251 O ILE A 87 -0.528 7.249 -12.228 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.366 7.910 -13.831 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.366 8.994 -14.596 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.009 6.435 -13.839 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.689 9.547 -13.893 1.00 0.00 C ATOM 0 H ILE A 87 -1.195 9.850 -12.924 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.578 8.503 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.454 7.828 -14.422 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.757 9.861 -14.852 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.675 8.533 -15.534 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.387 6.208 -14.836 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.248 5.705 -13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.828 6.391 -13.122 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.195 10.241 -14.564 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.354 8.715 -13.664 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.422 10.063 -12.971 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.109 6.908 -10.496 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.362 5.952 -9.572 1.00 0.00 C ATOM 1269 C VAL A 88 -2.246 4.592 -9.482 1.00 0.00 C ATOM 1270 O VAL A 88 -3.429 4.618 -9.043 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.008 6.640 -8.043 1.00 0.00 C ATOM 1272 CG1 VAL A 88 -0.144 5.780 -7.140 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -0.355 8.053 -8.071 1.00 0.00 C ATOM 0 H VAL A 88 -3.048 7.106 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.377 5.724 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.017 6.718 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.026 6.299 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.649 4.833 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.813 5.589 -7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.175 8.391 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.591 8.006 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.024 8.753 -8.572 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.570 3.446 -9.889 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.165 2.004 -9.990 1.00 0.00 C ATOM 1285 C ARG A 89 -1.457 0.926 -9.055 1.00 0.00 C ATOM 1286 O ARG A 89 -0.331 0.473 -9.333 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.499 1.488 -11.531 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.409 1.542 -12.620 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.981 0.966 -13.878 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.976 0.917 -15.022 1.00 0.00 N ATOM 1291 CZ ARG A 89 -1.118 0.396 -16.339 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -2.259 -0.201 -16.815 1.00 0.00 N ATOM 1293 NH2 ARG A 89 -0.081 0.487 -17.161 1.00 0.00 N ATOM 0 H ARG A 89 -0.588 3.476 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.157 2.108 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.834 0.453 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.345 2.073 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.086 2.570 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.530 0.977 -12.308 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.344 -0.042 -13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.842 1.560 -14.184 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.062 1.319 -14.812 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.076 -0.293 -16.212 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.290 -0.552 -17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.786 0.921 -16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.150 0.123 -18.111 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.222 0.526 -7.952 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.808 -0.406 -6.802 1.00 0.00 C ATOM 1309 C LEU A 90 -2.335 -1.904 -6.927 1.00 0.00 C ATOM 1310 O LEU A 90 -3.502 -2.146 -7.377 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.137 0.287 -5.327 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.587 0.806 -4.919 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.482 -0.299 -4.350 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.437 1.936 -3.943 1.00 0.00 C ATOM 0 H LEU A 90 -3.180 0.857 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.727 -0.518 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.844 -0.441 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.464 1.138 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.089 1.153 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.455 0.118 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.610 -1.084 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.019 -0.719 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.423 2.301 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.907 1.584 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.872 2.745 -4.407 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.404 -2.887 -6.503 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.629 -4.380 -6.448 1.00 0.00 C ATOM 1328 C TYR A 91 -1.482 -4.917 -4.978 1.00 0.00 C ATOM 1329 O TYR A 91 -0.311 -4.972 -4.397 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.673 -5.173 -7.521 1.00 0.00 C ATOM 1331 CG TYR A 91 -1.017 -6.680 -7.913 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.282 -7.071 -8.396 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.061 -7.663 -7.764 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.569 -8.349 -8.704 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.326 -8.972 -8.080 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.587 -9.323 -8.550 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.855 -10.631 -8.884 1.00 0.00 O ATOM 0 H TYR A 91 -0.468 -2.630 -6.190 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.656 -4.583 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.662 -4.590 -8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.342 -5.162 -7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.047 -6.319 -8.523 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.917 -7.397 -7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.551 -8.616 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.440 -9.725 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.061 -11.181 -8.717 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.708 -5.368 -4.446 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.956 -5.882 -2.985 1.00 0.00 C ATOM 1349 C VAL A 92 -3.152 -7.517 -2.841 1.00 0.00 C ATOM 1350 O VAL A 92 -3.569 -8.212 -3.829 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.182 -5.036 -2.182 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.902 -3.532 -2.023 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.618 -5.269 -2.767 1.00 0.00 C ATOM 0 H VAL A 92 -3.558 -5.389 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.017 -5.661 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.170 -5.477 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.733 -3.061 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.985 -3.391 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.788 -3.077 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.343 -4.690 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.642 -4.951 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.869 -6.328 -2.705 1.00 0.00 H new ATOM 1363 N MET A 93 -2.915 -8.016 -1.527 1.00 0.00 N ATOM 1364 CA MET A 93 -2.930 -9.499 -1.053 1.00 0.00 C ATOM 1365 C MET A 93 -3.915 -9.787 0.182 1.00 0.00 C ATOM 1366 O MET A 93 -3.730 -9.216 1.298 1.00 0.00 O ATOM 1367 CB MET A 93 -1.415 -10.162 -0.882 1.00 0.00 C ATOM 1368 CG MET A 93 -0.313 -9.490 0.104 1.00 0.00 C ATOM 1369 SD MET A 93 -0.608 -9.611 1.928 1.00 0.00 S ATOM 1370 CE MET A 93 -0.108 -11.304 2.373 1.00 0.00 C ATOM 0 H MET A 93 -2.705 -7.380 -0.758 1.00 0.00 H new ATOM 0 HA MET A 93 -3.379 -10.046 -1.882 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.553 -11.192 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.971 -10.203 -1.876 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.653 -9.947 -0.111 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.231 -8.434 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.253 -11.457 3.442 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.715 -12.020 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.943 -11.450 2.125 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.980 -10.692 -0.076 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.054 -11.156 0.935 1.00 0.00 C ATOM 1382 C ARG A 94 -6.181 -12.736 1.024 1.00 0.00 C ATOM 1383 O ARG A 94 -6.334 -13.421 -0.016 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.510 -10.353 0.840 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.308 -10.317 -0.524 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.627 -9.558 -0.380 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.435 -9.551 -1.670 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.729 -9.020 -1.931 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.501 -8.367 -1.002 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.226 -9.160 -3.153 1.00 0.00 N ATOM 0 H ARG A 94 -5.109 -11.115 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.669 -10.841 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.170 -10.790 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.330 -9.320 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.697 -9.844 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.507 -11.335 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.220 -10.012 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.421 -8.531 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.980 -9.994 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.154 -8.236 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.421 -8.012 -1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.683 -9.637 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.151 -8.791 -3.373 1.00 0.00 H new ATOM 1604 N SER B 8 2.968 9.492 5.845 1.00 0.00 N ATOM 1605 CA SER B 8 2.982 9.042 4.364 1.00 0.00 C ATOM 1606 C SER B 8 1.575 9.273 3.558 1.00 0.00 C ATOM 1607 O SER B 8 0.634 9.905 4.114 1.00 0.00 O ATOM 1608 CB SER B 8 3.526 7.559 4.266 1.00 0.00 C ATOM 1609 OG SER B 8 4.851 7.434 4.755 1.00 0.00 O ATOM 0 HA SER B 8 3.669 9.704 3.836 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.870 6.897 4.830 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.493 7.231 3.227 1.00 0.00 H new ATOM 0 HG SER B 8 5.009 6.509 5.038 1.00 0.00 H new ATOM 1615 N VAL B 9 1.501 8.761 2.216 1.00 0.00 N ATOM 1616 CA VAL B 9 0.350 8.959 1.202 1.00 0.00 C ATOM 1617 C VAL B 9 -0.420 7.564 0.976 1.00 0.00 C ATOM 1618 O VAL B 9 0.220 6.557 0.696 1.00 0.00 O ATOM 1619 CB VAL B 9 0.848 9.683 -0.279 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.330 10.292 -1.100 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.883 10.846 -0.124 1.00 0.00 C ATOM 1622 OXT VAL B 9 -1.650 7.585 1.005 1.00 0.00 O ATOM 0 H VAL B 9 2.256 8.197 1.825 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.345 9.679 1.634 1.00 0.00 H new ATOM 0 HB VAL B 9 1.303 8.836 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.056 10.731 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.046 9.508 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.824 11.064 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.138 11.240 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.450 11.640 0.484 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.784 10.469 0.360 1.00 0.00 H new