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 Set 1.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 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 -65:sc= 0.414 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 -29:sc=0.000584 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 170:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.301 X(o=-0.3,f=0.048) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=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 168:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.172 -15.103 -2.833 1.00 0.00 N ATOM 70 CA GLU A 6 -6.924 -14.128 -3.768 1.00 0.00 C ATOM 71 C GLU A 6 -6.376 -12.646 -3.748 1.00 0.00 C ATOM 72 O GLU A 6 -6.466 -11.921 -2.708 1.00 0.00 O ATOM 73 CB GLU A 6 -8.572 -14.264 -3.739 1.00 0.00 C ATOM 74 CG GLU A 6 -9.352 -14.109 -2.347 1.00 0.00 C ATOM 75 CD GLU A 6 -10.886 -14.260 -2.452 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.582 -13.228 -2.658 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.391 -15.405 -2.299 1.00 0.00 O ATOM 0 HA GLU A 6 -6.667 -14.482 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.974 -13.517 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.826 -15.241 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.973 -14.854 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.124 -13.131 -1.924 1.00 0.00 H new ATOM 84 N TYR A 7 -5.811 -12.240 -4.963 1.00 0.00 N ATOM 85 CA TYR A 7 -5.127 -10.896 -5.251 1.00 0.00 C ATOM 86 C TYR A 7 -6.053 -9.882 -6.030 1.00 0.00 C ATOM 87 O TYR A 7 -6.866 -10.297 -6.932 1.00 0.00 O ATOM 88 CB TYR A 7 -3.739 -11.112 -6.055 1.00 0.00 C ATOM 89 CG TYR A 7 -2.580 -11.968 -5.402 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.541 -13.375 -5.507 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.525 -11.346 -4.754 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.507 -14.107 -4.970 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.466 -12.080 -4.219 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.468 -13.456 -4.326 1.00 0.00 C ATOM 95 OH TYR A 7 0.577 -14.178 -3.803 1.00 0.00 O ATOM 0 H TYR A 7 -5.819 -12.848 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.916 -10.452 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.985 -11.573 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.332 -10.125 -6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.341 -13.888 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.522 -10.270 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.506 -15.184 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.350 -11.575 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 7 1.221 -13.567 -3.387 1.00 0.00 H new ATOM 105 N GLU A 8 -5.906 -8.528 -5.632 1.00 0.00 N ATOM 106 CA GLU A 8 -6.690 -7.333 -6.215 1.00 0.00 C ATOM 107 C GLU A 8 -5.787 -6.206 -6.816 1.00 0.00 C ATOM 108 O GLU A 8 -4.801 -5.750 -6.169 1.00 0.00 O ATOM 109 CB GLU A 8 -7.777 -6.729 -5.212 1.00 0.00 C ATOM 110 CG GLU A 8 -9.228 -7.242 -5.420 1.00 0.00 C ATOM 111 CD GLU A 8 -10.285 -6.604 -4.484 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.532 -7.161 -3.378 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.888 -5.564 -4.872 1.00 0.00 O ATOM 0 H GLU A 8 -5.247 -8.247 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.235 -7.770 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.471 -6.957 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.775 -5.643 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.519 -7.056 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.240 -8.322 -5.275 1.00 0.00 H new ATOM 120 N GLU A 9 -6.151 -5.797 -8.127 1.00 0.00 N ATOM 121 CA GLU A 9 -5.534 -4.643 -8.912 1.00 0.00 C ATOM 122 C GLU A 9 -6.519 -3.400 -9.008 1.00 0.00 C ATOM 123 O GLU A 9 -7.599 -3.472 -9.701 1.00 0.00 O ATOM 124 CB GLU A 9 -4.861 -5.098 -10.336 1.00 0.00 C ATOM 125 CG GLU A 9 -5.751 -5.889 -11.432 1.00 0.00 C ATOM 126 CD GLU A 9 -5.005 -6.256 -12.729 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.357 -7.338 -12.773 1.00 0.00 O ATOM 128 OE2 GLU A 9 -5.097 -5.478 -13.711 1.00 0.00 O ATOM 0 H GLU A 9 -6.885 -6.273 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.679 -4.293 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.479 -4.198 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.000 -5.725 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.132 -6.804 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.615 -5.276 -11.688 1.00 0.00 H new ATOM 135 N ILE A 10 -6.133 -2.287 -8.235 1.00 0.00 N ATOM 136 CA ILE A 10 -6.956 -0.979 -8.114 1.00 0.00 C ATOM 137 C ILE A 10 -6.130 0.301 -8.729 1.00 0.00 C ATOM 138 O ILE A 10 -4.926 0.483 -8.444 1.00 0.00 O ATOM 139 CB ILE A 10 -7.536 -0.723 -6.516 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.347 -2.003 -5.934 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.522 0.549 -6.407 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.131 -2.327 -4.408 1.00 0.00 C ATOM 0 H ILE A 10 -5.269 -2.268 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.851 -1.087 -8.727 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.634 -0.549 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.411 -1.840 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.064 -2.881 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.857 0.662 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.991 1.449 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.386 0.397 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.722 -3.201 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.076 -2.531 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.445 -1.474 -3.807 1.00 0.00 H new ATOM 154 N THR A 11 -6.900 1.132 -9.582 1.00 0.00 N ATOM 155 CA THR A 11 -6.505 2.504 -10.184 1.00 0.00 C ATOM 156 C THR A 11 -7.256 3.737 -9.527 1.00 0.00 C ATOM 157 O THR A 11 -8.526 3.759 -9.424 1.00 0.00 O ATOM 158 CB THR A 11 -6.588 2.620 -11.799 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.533 1.716 -12.410 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.213 2.559 -12.474 1.00 0.00 C ATOM 0 H THR A 11 -7.837 0.853 -9.874 1.00 0.00 H new ATOM 0 HA THR A 11 -5.448 2.554 -9.922 1.00 0.00 H new ATOM 0 HB THR A 11 -6.985 3.619 -11.978 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.528 1.845 -13.381 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.334 2.642 -13.554 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.594 3.381 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.732 1.611 -12.234 1.00 0.00 H new ATOM 168 N LEU A 12 -6.383 4.733 -9.049 1.00 0.00 N ATOM 169 CA LEU A 12 -6.751 6.106 -8.456 1.00 0.00 C ATOM 170 C LEU A 12 -6.015 7.312 -9.223 1.00 0.00 C ATOM 171 O LEU A 12 -5.081 7.069 -10.040 1.00 0.00 O ATOM 172 CB LEU A 12 -6.409 6.177 -6.823 1.00 0.00 C ATOM 173 CG LEU A 12 -7.212 5.360 -5.668 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.752 5.540 -5.619 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.790 3.893 -5.526 1.00 0.00 C ATOM 0 H LEU A 12 -5.373 4.594 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.826 6.224 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.363 5.888 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.476 7.230 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.870 5.878 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.162 4.942 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.990 6.591 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.187 5.214 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.373 3.422 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.966 3.371 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.731 3.842 -5.275 1.00 0.00 H new ATOM 284 N GLY A 20 -6.640 9.606 0.671 1.00 0.00 N ATOM 285 CA GLY A 20 -7.024 9.442 2.089 1.00 0.00 C ATOM 286 C GLY A 20 -6.733 8.078 2.706 1.00 0.00 C ATOM 287 O GLY A 20 -7.673 7.301 2.998 1.00 0.00 O ATOM 0 HA2 GLY A 20 -6.507 10.202 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.092 9.640 2.181 1.00 0.00 H new ATOM 291 N PHE A 21 -5.359 7.813 2.882 1.00 0.00 N ATOM 292 CA PHE A 21 -4.674 6.675 3.648 1.00 0.00 C ATOM 293 C PHE A 21 -3.147 7.129 3.990 1.00 0.00 C ATOM 294 O PHE A 21 -2.686 8.199 3.454 1.00 0.00 O ATOM 295 CB PHE A 21 -4.758 5.202 2.840 1.00 0.00 C ATOM 296 CG PHE A 21 -3.971 4.957 1.466 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.374 5.551 0.252 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.857 4.114 1.442 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.689 5.315 -0.927 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.171 3.876 0.254 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.588 4.478 -0.925 1.00 0.00 C ATOM 0 H PHE A 21 -4.665 8.432 2.463 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.208 6.499 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.421 4.437 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.812 5.009 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.235 6.203 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.524 3.642 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.013 5.783 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.312 3.221 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.051 4.292 -1.844 1.00 0.00 H new ATOM 311 N SER A 22 -2.373 6.354 4.948 1.00 0.00 N ATOM 312 CA SER A 22 -0.869 6.491 5.127 1.00 0.00 C ATOM 313 C SER A 22 -0.173 5.083 5.210 1.00 0.00 C ATOM 314 O SER A 22 -0.709 4.128 5.879 1.00 0.00 O ATOM 315 CB SER A 22 -0.435 7.453 6.294 1.00 0.00 C ATOM 316 OG SER A 22 -0.874 8.792 6.102 1.00 0.00 O ATOM 0 H SER A 22 -2.793 5.662 5.568 1.00 0.00 H new ATOM 0 HA SER A 22 -0.509 6.989 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.835 7.077 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.651 7.442 6.382 1.00 0.00 H new ATOM 0 HG SER A 22 -0.432 9.171 5.314 1.00 0.00 H new ATOM 322 N ILE A 23 1.058 4.978 4.516 1.00 0.00 N ATOM 323 CA ILE A 23 1.880 3.679 4.297 1.00 0.00 C ATOM 324 C ILE A 23 3.278 3.556 4.963 1.00 0.00 C ATOM 325 O ILE A 23 4.149 4.452 4.828 1.00 0.00 O ATOM 326 CB ILE A 23 1.870 3.053 2.779 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.944 4.051 1.497 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.672 2.177 2.661 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.265 4.801 1.154 1.00 0.00 C ATOM 0 H ILE A 23 1.505 5.793 4.095 1.00 0.00 H new ATOM 0 HA ILE A 23 1.252 3.031 4.908 1.00 0.00 H new ATOM 0 HB ILE A 23 2.827 2.536 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.668 3.467 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.171 4.807 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.635 1.744 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.731 1.378 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.228 2.766 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.114 5.416 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.551 5.436 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.056 4.076 0.962 1.00 0.00 H new ATOM 341 N ALA A 24 3.450 2.337 5.693 1.00 0.00 N ATOM 342 CA ALA A 24 4.704 1.920 6.425 1.00 0.00 C ATOM 343 C ALA A 24 5.541 0.878 5.578 1.00 0.00 C ATOM 344 O ALA A 24 5.052 -0.246 5.249 1.00 0.00 O ATOM 345 CB ALA A 24 4.347 1.394 7.856 1.00 0.00 C ATOM 0 H ALA A 24 2.705 1.644 5.768 1.00 0.00 H new ATOM 0 HA ALA A 24 5.346 2.792 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.260 1.097 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.851 2.184 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.681 0.535 7.772 1.00 0.00 H new ATOM 351 N GLY A 25 6.808 1.326 5.230 1.00 0.00 N ATOM 352 CA GLY A 25 7.813 0.575 4.387 1.00 0.00 C ATOM 353 C GLY A 25 9.245 0.698 4.901 1.00 0.00 C ATOM 354 O GLY A 25 9.564 1.714 5.635 1.00 0.00 O ATOM 0 H GLY A 25 7.159 2.234 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.535 -0.478 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.769 0.947 3.364 1.00 0.00 H new ATOM 358 N GLY A 26 10.139 -0.336 4.517 1.00 0.00 N ATOM 359 CA GLY A 26 11.537 -0.338 5.059 1.00 0.00 C ATOM 360 C GLY A 26 12.504 -1.441 4.716 1.00 0.00 C ATOM 361 O GLY A 26 12.210 -2.647 4.917 1.00 0.00 O ATOM 0 H GLY A 26 9.912 -1.104 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.000 0.599 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.457 -0.311 6.146 1.00 0.00 H new ATOM 365 N THR A 27 13.693 -0.959 4.157 1.00 0.00 N ATOM 366 CA THR A 27 15.039 -1.719 4.076 1.00 0.00 C ATOM 367 C THR A 27 16.079 -1.225 5.180 1.00 0.00 C ATOM 368 O THR A 27 16.862 -2.067 5.724 1.00 0.00 O ATOM 369 CB THR A 27 15.745 -1.806 2.632 1.00 0.00 C ATOM 370 OG1 THR A 27 15.713 -0.574 1.891 1.00 0.00 O ATOM 371 CG2 THR A 27 15.253 -2.992 1.804 1.00 0.00 C ATOM 0 H THR A 27 13.751 -0.027 3.746 1.00 0.00 H new ATOM 0 HA THR A 27 14.735 -2.745 4.286 1.00 0.00 H new ATOM 0 HB THR A 27 16.798 -1.987 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.160 -0.700 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.763 -3.000 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.466 -3.920 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.178 -2.904 1.644 1.00 0.00 H new ATOM 379 N ASP A 28 16.025 0.174 5.513 1.00 0.00 N ATOM 380 CA ASP A 28 16.861 0.870 6.593 1.00 0.00 C ATOM 381 C ASP A 28 15.995 1.274 7.883 1.00 0.00 C ATOM 382 O ASP A 28 16.514 1.160 9.035 1.00 0.00 O ATOM 383 CB ASP A 28 17.707 2.125 6.033 1.00 0.00 C ATOM 384 CG ASP A 28 18.888 1.775 5.086 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.668 1.706 3.852 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.023 1.591 5.589 1.00 0.00 O ATOM 0 H ASP A 28 15.399 0.818 5.030 1.00 0.00 H new ATOM 0 HA ASP A 28 17.588 0.124 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.026 2.791 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.100 2.682 6.883 1.00 0.00 H new ATOM 391 N ASN A 29 14.637 1.711 7.641 1.00 0.00 N ATOM 392 CA ASN A 29 13.624 2.166 8.684 1.00 0.00 C ATOM 393 C ASN A 29 12.506 1.015 9.069 1.00 0.00 C ATOM 394 O ASN A 29 11.663 0.679 8.188 1.00 0.00 O ATOM 395 CB ASN A 29 12.958 3.596 8.332 1.00 0.00 C ATOM 396 CG ASN A 29 13.890 4.834 8.504 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.604 5.223 7.572 1.00 0.00 O ATOM 398 ND2 ASN A 29 13.848 5.468 9.685 1.00 0.00 N ATOM 0 H ASN A 29 14.252 1.743 6.697 1.00 0.00 H new ATOM 0 HA ASN A 29 14.202 2.318 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.607 3.569 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.081 3.734 8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.417 6.301 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.247 5.118 10.431 1.00 0.00 H new ATOM 501 N SER A 37 8.812 -6.068 4.322 1.00 0.00 N ATOM 502 CA SER A 37 7.547 -5.831 3.448 1.00 0.00 C ATOM 503 C SER A 37 6.713 -4.495 3.811 1.00 0.00 C ATOM 504 O SER A 37 6.742 -4.038 4.997 1.00 0.00 O ATOM 505 CB SER A 37 6.632 -7.149 3.425 1.00 0.00 C ATOM 506 OG SER A 37 6.212 -7.587 4.733 1.00 0.00 O ATOM 0 HA SER A 37 7.905 -5.638 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.749 -6.957 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.184 -7.955 2.942 1.00 0.00 H new ATOM 0 HG SER A 37 6.887 -7.332 5.396 1.00 0.00 H new ATOM 512 N ILE A 38 5.952 -3.892 2.727 1.00 0.00 N ATOM 513 CA ILE A 38 5.124 -2.587 2.826 1.00 0.00 C ATOM 514 C ILE A 38 3.584 -2.933 3.265 1.00 0.00 C ATOM 515 O ILE A 38 2.817 -3.577 2.507 1.00 0.00 O ATOM 516 CB ILE A 38 5.259 -1.539 1.441 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.718 -1.467 0.576 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.763 -0.056 1.694 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.139 -1.630 1.278 1.00 0.00 C ATOM 0 H ILE A 38 5.915 -4.309 1.797 1.00 0.00 H new ATOM 0 HA ILE A 38 5.563 -1.981 3.618 1.00 0.00 H new ATOM 0 HB ILE A 38 4.576 -2.088 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.661 -2.235 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.731 -0.504 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.882 0.528 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.712 -0.068 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.353 0.394 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.926 -1.549 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.267 -0.847 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.197 -2.606 1.760 1.00 0.00 H new ATOM 531 N PHE A 39 3.239 -2.450 4.553 1.00 0.00 N ATOM 532 CA PHE A 39 1.979 -2.722 5.384 1.00 0.00 C ATOM 533 C PHE A 39 1.188 -1.361 5.723 1.00 0.00 C ATOM 534 O PHE A 39 1.824 -0.249 5.896 1.00 0.00 O ATOM 535 CB PHE A 39 2.494 -3.567 6.718 1.00 0.00 C ATOM 536 CG PHE A 39 1.545 -4.046 7.907 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.539 -5.015 7.748 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.764 -3.550 9.191 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.215 -5.450 8.834 1.00 0.00 C ATOM 540 CE2 PHE A 39 1.009 -3.980 10.281 1.00 0.00 C ATOM 541 CZ PHE A 39 0.022 -4.932 10.097 1.00 0.00 C ATOM 0 H PHE A 39 3.875 -1.829 5.053 1.00 0.00 H new ATOM 0 HA PHE A 39 1.242 -3.313 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.978 -4.466 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.271 -2.958 7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.348 -5.428 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.539 -2.813 9.345 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.986 -6.193 8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.193 -3.572 11.264 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.564 -5.272 10.938 1.00 0.00 H new ATOM 551 N ILE A 40 -0.240 -1.491 5.772 1.00 0.00 N ATOM 552 CA ILE A 40 -1.252 -0.371 6.157 1.00 0.00 C ATOM 553 C ILE A 40 -1.491 -0.317 7.753 1.00 0.00 C ATOM 554 O ILE A 40 -1.496 -1.377 8.455 1.00 0.00 O ATOM 555 CB ILE A 40 -2.761 -0.490 5.365 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.802 -1.209 3.877 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.606 0.883 5.346 1.00 0.00 C ATOM 558 CD1 ILE A 40 -1.987 -0.592 2.712 1.00 0.00 C ATOM 0 H ILE A 40 -0.705 -2.370 5.546 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.785 0.553 5.817 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.253 -1.205 6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.467 -2.239 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.845 -1.249 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.550 0.722 4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.806 1.201 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.034 1.655 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.129 -1.190 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.329 0.427 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.929 -0.578 2.975 1.00 0.00 H new ATOM 570 N THR A 41 -1.689 0.986 8.240 1.00 0.00 N ATOM 571 CA THR A 41 -2.034 1.383 9.696 1.00 0.00 C ATOM 572 C THR A 41 -3.059 2.617 9.781 1.00 0.00 C ATOM 573 O THR A 41 -3.903 2.632 10.731 1.00 0.00 O ATOM 574 CB THR A 41 -0.732 1.477 10.765 1.00 0.00 C ATOM 575 OG1 THR A 41 -1.156 1.666 12.135 1.00 0.00 O ATOM 576 CG2 THR A 41 0.346 2.554 10.427 1.00 0.00 C ATOM 0 H THR A 41 -1.613 1.799 7.629 1.00 0.00 H new ATOM 0 HA THR A 41 -2.576 0.520 10.082 1.00 0.00 H new ATOM 0 HB THR A 41 -0.256 0.504 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.369 1.713 12.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.135 2.527 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.772 2.347 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.116 3.541 10.421 1.00 0.00 H new ATOM 584 N LYS A 42 -2.968 3.637 8.742 1.00 0.00 N ATOM 585 CA LYS A 42 -3.832 4.853 8.690 1.00 0.00 C ATOM 586 C LYS A 42 -4.808 4.851 7.455 1.00 0.00 C ATOM 587 O LYS A 42 -4.384 4.617 6.290 1.00 0.00 O ATOM 588 CB LYS A 42 -2.917 6.225 8.906 1.00 0.00 C ATOM 589 CG LYS A 42 -3.511 7.742 8.826 1.00 0.00 C ATOM 590 CD LYS A 42 -4.691 8.065 9.762 1.00 0.00 C ATOM 591 CE LYS A 42 -4.967 9.548 9.787 1.00 0.00 C ATOM 592 NZ LYS A 42 -6.115 9.895 10.671 1.00 0.00 N ATOM 0 H LYS A 42 -2.299 3.584 7.974 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.524 4.841 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.455 6.131 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.114 6.174 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.701 8.438 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.827 7.932 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.581 7.531 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.467 7.715 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.076 10.075 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.174 9.894 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.266 10.924 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.972 9.414 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.909 9.590 11.644 1.00 0.00 H new ATOM 606 N ILE A 43 -6.153 5.048 7.823 1.00 0.00 N ATOM 607 CA ILE A 43 -7.322 5.268 6.911 1.00 0.00 C ATOM 608 C ILE A 43 -8.078 6.611 7.396 1.00 0.00 C ATOM 609 O ILE A 43 -8.529 6.700 8.585 1.00 0.00 O ATOM 610 CB ILE A 43 -8.361 3.863 6.763 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.637 2.485 6.169 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.804 4.069 6.097 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.844 2.534 4.784 1.00 0.00 C ATOM 0 H ILE A 43 -6.434 5.053 8.804 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.974 5.413 5.888 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.556 3.705 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.940 2.131 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.414 1.727 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.333 3.116 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.377 4.787 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.685 4.444 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.442 1.546 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.522 2.840 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.026 3.250 4.858 1.00 0.00 H new ATOM 625 N ILE A 44 -8.183 7.627 6.419 1.00 0.00 N ATOM 626 CA ILE A 44 -8.993 8.943 6.540 1.00 0.00 C ATOM 627 C ILE A 44 -10.628 8.664 6.259 1.00 0.00 C ATOM 628 O ILE A 44 -10.938 7.963 5.259 1.00 0.00 O ATOM 629 CB ILE A 44 -8.305 10.239 5.608 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.868 10.747 6.085 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.176 11.529 5.397 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.672 9.906 5.694 1.00 0.00 C ATOM 0 H ILE A 44 -7.704 7.553 5.521 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.923 9.297 7.568 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.237 9.706 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.717 11.752 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.882 10.829 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.619 12.250 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.099 11.264 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.415 11.969 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.762 10.365 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.779 8.905 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.612 9.842 4.608 1.00 0.00 H new ATOM 644 N PRO A 45 -11.694 9.259 7.189 1.00 0.00 N ATOM 645 CA PRO A 45 -13.236 9.067 6.998 1.00 0.00 C ATOM 646 C PRO A 45 -13.929 9.730 5.666 1.00 0.00 C ATOM 647 O PRO A 45 -15.038 9.254 5.247 1.00 0.00 O ATOM 648 CB PRO A 45 -13.843 9.655 8.336 1.00 0.00 C ATOM 649 CG PRO A 45 -12.694 9.749 9.310 1.00 0.00 C ATOM 650 CD PRO A 45 -11.478 10.085 8.482 1.00 0.00 C ATOM 0 HA PRO A 45 -13.446 8.013 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.290 10.634 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.631 9.009 8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.880 10.517 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.556 8.809 9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.416 11.153 8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.555 9.805 8.990 1.00 0.00 H new ATOM 658 N GLY A 46 -13.206 10.787 5.029 1.00 0.00 N ATOM 659 CA GLY A 46 -13.663 11.511 3.790 1.00 0.00 C ATOM 660 C GLY A 46 -12.607 11.671 2.654 1.00 0.00 C ATOM 661 O GLY A 46 -12.513 12.792 2.081 1.00 0.00 O ATOM 0 H GLY A 46 -12.311 11.127 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.525 10.983 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.006 12.504 4.081 1.00 0.00 H new ATOM 665 N GLY A 47 -11.795 10.525 2.347 1.00 0.00 N ATOM 666 CA GLY A 47 -10.825 10.424 1.173 1.00 0.00 C ATOM 667 C GLY A 47 -11.382 9.669 -0.094 1.00 0.00 C ATOM 668 O GLY A 47 -12.568 9.227 -0.115 1.00 0.00 O ATOM 0 H GLY A 47 -11.817 9.677 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.532 11.431 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.922 9.916 1.511 1.00 0.00 H new ATOM 672 N ALA A 48 -10.458 9.544 -1.163 1.00 0.00 N ATOM 673 CA ALA A 48 -10.693 8.899 -2.542 1.00 0.00 C ATOM 674 C ALA A 48 -10.583 7.298 -2.584 1.00 0.00 C ATOM 675 O ALA A 48 -11.381 6.660 -3.301 1.00 0.00 O ATOM 676 CB ALA A 48 -9.786 9.584 -3.619 1.00 0.00 C ATOM 0 H ALA A 48 -9.507 9.902 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.741 9.084 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.960 9.120 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.027 10.646 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.739 9.464 -3.342 1.00 0.00 H new ATOM 682 N ALA A 49 -9.570 6.676 -1.763 1.00 0.00 N ATOM 683 CA ALA A 49 -9.298 5.160 -1.616 1.00 0.00 C ATOM 684 C ALA A 49 -10.275 4.362 -0.598 1.00 0.00 C ATOM 685 O ALA A 49 -10.459 3.103 -0.747 1.00 0.00 O ATOM 686 CB ALA A 49 -7.815 4.931 -1.288 1.00 0.00 C ATOM 0 H ALA A 49 -8.933 7.234 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.540 4.721 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.626 3.862 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.198 5.333 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.567 5.435 -0.354 1.00 0.00 H new ATOM 692 N ALA A 50 -10.930 5.157 0.417 1.00 0.00 N ATOM 693 CA ALA A 50 -11.936 4.670 1.469 1.00 0.00 C ATOM 694 C ALA A 50 -13.460 4.666 0.953 1.00 0.00 C ATOM 695 O ALA A 50 -14.197 3.674 1.226 1.00 0.00 O ATOM 696 CB ALA A 50 -11.765 5.488 2.802 1.00 0.00 C ATOM 0 H ALA A 50 -10.750 6.158 0.500 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.706 3.623 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.484 5.134 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.754 5.352 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.939 6.546 2.605 1.00 0.00 H new ATOM 702 N GLN A 51 -13.892 5.806 0.173 1.00 0.00 N ATOM 703 CA GLN A 51 -15.279 6.031 -0.451 1.00 0.00 C ATOM 704 C GLN A 51 -15.437 5.474 -1.951 1.00 0.00 C ATOM 705 O GLN A 51 -16.364 4.652 -2.188 1.00 0.00 O ATOM 706 CB GLN A 51 -15.763 7.565 -0.354 1.00 0.00 C ATOM 707 CG GLN A 51 -15.883 8.183 1.090 1.00 0.00 C ATOM 708 CD GLN A 51 -16.617 9.552 1.170 1.00 0.00 C ATOM 709 OE1 GLN A 51 -15.993 10.619 1.047 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.939 9.526 1.429 1.00 0.00 N ATOM 0 H GLN A 51 -13.259 6.581 -0.023 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.943 5.425 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.068 8.177 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.735 7.646 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.406 7.472 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.880 8.303 1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.423 8.633 1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.456 10.399 1.530 1.00 0.00 H new ATOM 719 N ASP A 52 -14.486 5.938 -2.955 1.00 0.00 N ATOM 720 CA ASP A 52 -14.523 5.617 -4.456 1.00 0.00 C ATOM 721 C ASP A 52 -13.712 4.316 -4.958 1.00 0.00 C ATOM 722 O ASP A 52 -14.197 3.634 -5.918 1.00 0.00 O ATOM 723 CB ASP A 52 -14.147 6.907 -5.308 1.00 0.00 C ATOM 724 CG ASP A 52 -15.267 7.976 -5.456 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.335 8.893 -4.600 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.050 7.894 -6.433 1.00 0.00 O ATOM 0 H ASP A 52 -13.697 6.535 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.559 5.327 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.279 7.380 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.846 6.585 -6.305 1.00 0.00 H new ATOM 731 N GLY A 53 -12.507 3.955 -4.251 1.00 0.00 N ATOM 732 CA GLY A 53 -11.533 2.834 -4.664 1.00 0.00 C ATOM 733 C GLY A 53 -11.826 1.385 -4.152 1.00 0.00 C ATOM 734 O GLY A 53 -11.782 0.436 -4.963 1.00 0.00 O ATOM 0 H GLY A 53 -12.213 4.437 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.500 2.804 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.536 3.114 -4.323 1.00 0.00 H new ATOM 738 N ARG A 54 -12.136 1.243 -2.758 1.00 0.00 N ATOM 739 CA ARG A 54 -12.445 -0.051 -1.905 1.00 0.00 C ATOM 740 C ARG A 54 -11.168 -0.809 -1.287 1.00 0.00 C ATOM 741 O ARG A 54 -10.884 -2.037 -1.557 1.00 0.00 O ATOM 742 CB ARG A 54 -13.648 -1.018 -2.420 1.00 0.00 C ATOM 743 CG ARG A 54 -15.081 -0.475 -2.274 1.00 0.00 C ATOM 744 CD ARG A 54 -16.109 -1.485 -2.791 1.00 0.00 C ATOM 745 NE ARG A 54 -17.538 -0.981 -2.658 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.763 -1.624 -2.993 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.854 -2.887 -3.525 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.893 -0.963 -2.779 1.00 0.00 N ATOM 0 H ARG A 54 -12.179 2.073 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.908 0.406 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.476 -1.245 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.584 -1.960 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.283 -0.250 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.177 0.460 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.901 -1.707 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.004 -2.420 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.633 -0.042 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.007 -3.427 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.768 -3.285 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.867 -0.022 -2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.788 -1.395 -3.008 1.00 0.00 H new ATOM 762 N LEU A 55 -10.314 0.054 -0.555 1.00 0.00 N ATOM 763 CA LEU A 55 -9.131 -0.319 0.296 1.00 0.00 C ATOM 764 C LEU A 55 -9.404 -0.073 1.864 1.00 0.00 C ATOM 765 O LEU A 55 -9.836 1.041 2.300 1.00 0.00 O ATOM 766 CB LEU A 55 -7.778 0.410 -0.309 1.00 0.00 C ATOM 767 CG LEU A 55 -6.412 0.457 0.493 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.271 -0.151 -0.281 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.112 1.892 0.824 1.00 0.00 C ATOM 0 H LEU A 55 -10.463 1.063 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.956 -1.394 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.564 -0.070 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.049 1.443 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.520 -0.136 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.358 -0.094 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.496 -1.194 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.132 0.395 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.175 1.949 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.025 2.468 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.918 2.301 1.433 1.00 0.00 H new ATOM 781 N ARG A 56 -9.147 -1.201 2.640 1.00 0.00 N ATOM 782 CA ARG A 56 -9.122 -1.320 4.171 1.00 0.00 C ATOM 783 C ARG A 56 -7.618 -1.598 4.698 1.00 0.00 C ATOM 784 O ARG A 56 -6.733 -2.072 3.913 1.00 0.00 O ATOM 785 CB ARG A 56 -10.146 -2.468 4.694 1.00 0.00 C ATOM 786 CG ARG A 56 -11.639 -2.171 4.628 1.00 0.00 C ATOM 787 CD ARG A 56 -12.360 -3.381 5.136 1.00 0.00 C ATOM 788 NE ARG A 56 -13.873 -3.216 5.178 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.880 -4.146 5.568 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.627 -5.429 5.985 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.147 -3.750 5.524 1.00 0.00 N ATOM 0 H ARG A 56 -8.941 -2.097 2.198 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.458 -0.370 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.959 -3.373 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.895 -2.694 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.883 -1.297 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.941 -1.946 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.113 -4.233 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.000 -3.614 6.138 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.218 -2.303 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.667 -5.771 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.399 -6.041 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.375 -2.804 5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.892 -4.392 5.797 1.00 0.00 H new ATOM 805 N VAL A 57 -7.359 -1.342 6.078 1.00 0.00 N ATOM 806 CA VAL A 57 -5.984 -1.627 6.906 1.00 0.00 C ATOM 807 C VAL A 57 -5.394 -3.120 6.809 1.00 0.00 C ATOM 808 O VAL A 57 -4.145 -3.348 6.856 1.00 0.00 O ATOM 809 CB VAL A 57 -5.976 -1.138 8.483 1.00 0.00 C ATOM 810 CG1 VAL A 57 -5.750 0.331 8.603 1.00 0.00 C ATOM 811 CG2 VAL A 57 -7.245 -1.518 9.290 1.00 0.00 C ATOM 0 H VAL A 57 -8.077 -0.933 6.676 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.310 -0.973 6.353 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.144 -1.688 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.751 0.615 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.788 0.589 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.545 0.865 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.148 -1.155 10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.121 -1.064 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.360 -2.602 9.299 1.00 0.00 H new ATOM 821 N ASN A 58 -6.400 -4.070 6.625 1.00 0.00 N ATOM 822 CA ASN A 58 -6.288 -5.533 6.530 1.00 0.00 C ATOM 823 C ASN A 58 -6.078 -6.044 4.956 1.00 0.00 C ATOM 824 O ASN A 58 -6.051 -7.296 4.705 1.00 0.00 O ATOM 825 CB ASN A 58 -7.600 -6.112 7.281 1.00 0.00 C ATOM 826 CG ASN A 58 -7.533 -7.590 7.796 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.098 -7.849 8.923 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.000 -8.539 6.975 1.00 0.00 N ATOM 0 H ASN A 58 -7.372 -3.774 6.537 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.394 -5.922 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.815 -5.466 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.445 -6.030 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.005 -9.514 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.351 -8.287 6.051 1.00 0.00 H new ATOM 835 N ASP A 59 -5.851 -5.008 3.916 1.00 0.00 N ATOM 836 CA ASP A 59 -5.612 -5.321 2.420 1.00 0.00 C ATOM 837 C ASP A 59 -4.098 -5.556 1.992 1.00 0.00 C ATOM 838 O ASP A 59 -3.838 -6.440 1.099 1.00 0.00 O ATOM 839 CB ASP A 59 -6.368 -4.326 1.442 1.00 0.00 C ATOM 840 CG ASP A 59 -7.866 -4.660 1.197 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.721 -4.242 2.009 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.166 -5.328 0.178 1.00 0.00 O ATOM 0 H ASP A 59 -5.838 -4.010 4.126 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.073 -6.301 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.298 -3.317 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.851 -4.320 0.483 1.00 0.00 H new ATOM 847 N SER A 60 -3.048 -4.741 2.661 1.00 0.00 N ATOM 848 CA SER A 60 -1.465 -4.812 2.475 1.00 0.00 C ATOM 849 C SER A 60 -0.924 -4.894 0.972 1.00 0.00 C ATOM 850 O SER A 60 -1.219 -5.894 0.234 1.00 0.00 O ATOM 851 CB SER A 60 -0.783 -5.904 3.414 1.00 0.00 C ATOM 852 OG SER A 60 -1.008 -5.632 4.786 1.00 0.00 O ATOM 0 H SER A 60 -3.306 -4.024 3.339 1.00 0.00 H new ATOM 0 HA SER A 60 -1.143 -3.825 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.177 -6.891 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.289 -5.932 3.220 1.00 0.00 H new ATOM 0 HG SER A 60 -0.719 -6.399 5.323 1.00 0.00 H new ATOM 858 N ILE A 61 -0.096 -3.834 0.548 1.00 0.00 N ATOM 859 CA ILE A 61 0.451 -3.659 -0.904 1.00 0.00 C ATOM 860 C ILE A 61 1.832 -4.491 -1.087 1.00 0.00 C ATOM 861 O ILE A 61 2.796 -4.323 -0.281 1.00 0.00 O ATOM 862 CB ILE A 61 0.628 -2.029 -1.421 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.627 -1.076 -0.966 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.762 -1.964 -3.040 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.378 0.478 -0.845 1.00 0.00 C ATOM 0 H ILE A 61 0.208 -3.093 1.179 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.316 -4.070 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 61 1.531 -1.653 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.437 -1.229 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.982 -1.433 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.873 -0.926 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.635 -2.535 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.133 -2.387 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.300 0.971 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.400 0.665 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.062 0.872 -1.811 1.00 0.00 H new ATOM 877 N LEU A 62 1.843 -5.394 -2.197 1.00 0.00 N ATOM 878 CA LEU A 62 3.077 -6.137 -2.703 1.00 0.00 C ATOM 879 C LEU A 62 3.827 -5.351 -3.833 1.00 0.00 C ATOM 880 O LEU A 62 5.089 -5.268 -3.796 1.00 0.00 O ATOM 881 CB LEU A 62 2.810 -7.716 -3.092 1.00 0.00 C ATOM 882 CG LEU A 62 1.762 -8.169 -4.211 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.119 -9.531 -4.687 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.341 -8.232 -3.693 1.00 0.00 C ATOM 0 H LEU A 62 1.004 -5.605 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 62 3.750 -6.178 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.775 -8.130 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.515 -8.217 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 62 1.809 -7.425 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.409 -9.847 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.124 -9.517 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.087 -10.229 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.326 -8.545 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.284 -8.949 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.040 -7.247 -3.335 1.00 0.00 H new ATOM 896 N PHE A 63 2.985 -4.776 -4.860 1.00 0.00 N ATOM 897 CA PHE A 63 3.505 -4.026 -6.100 1.00 0.00 C ATOM 898 C PHE A 63 2.785 -2.675 -6.343 1.00 0.00 C ATOM 899 O PHE A 63 1.549 -2.599 -6.257 1.00 0.00 O ATOM 900 CB PHE A 63 3.481 -4.992 -7.434 1.00 0.00 C ATOM 901 CG PHE A 63 4.557 -6.155 -7.467 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.364 -7.350 -6.763 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.716 -6.025 -8.199 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.286 -8.361 -6.778 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.659 -7.017 -8.224 1.00 0.00 C ATOM 906 CZ PHE A 63 6.456 -8.200 -7.510 1.00 0.00 C ATOM 0 H PHE A 63 1.967 -4.832 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 63 4.544 -3.769 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.490 -5.438 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.624 -4.366 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.458 -7.478 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.885 -5.121 -8.766 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.107 -9.273 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.564 -6.884 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.201 -8.982 -7.527 1.00 0.00 H new ATOM 916 N VAL A 64 3.610 -1.575 -6.641 1.00 0.00 N ATOM 917 CA VAL A 64 3.080 -0.125 -6.955 1.00 0.00 C ATOM 918 C VAL A 64 3.487 0.201 -8.428 1.00 0.00 C ATOM 919 O VAL A 64 4.552 -0.128 -8.826 1.00 0.00 O ATOM 920 CB VAL A 64 3.485 1.101 -5.818 1.00 0.00 C ATOM 921 CG1 VAL A 64 2.733 2.462 -6.011 1.00 0.00 C ATOM 922 CG2 VAL A 64 3.245 0.698 -4.352 1.00 0.00 C ATOM 0 H VAL A 64 4.627 -1.645 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 64 1.995 -0.126 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 64 4.548 1.230 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.057 3.168 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.960 2.866 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.659 2.300 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.524 1.524 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.191 0.461 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.850 -0.176 -4.111 1.00 0.00 H new ATOM 932 N ASN A 65 2.504 0.845 -9.246 1.00 0.00 N ATOM 933 CA ASN A 65 2.587 1.237 -10.781 1.00 0.00 C ATOM 934 C ASN A 65 2.403 -0.056 -11.737 1.00 0.00 C ATOM 935 O ASN A 65 1.315 -0.296 -12.280 1.00 0.00 O ATOM 936 CB ASN A 65 3.910 2.226 -11.183 1.00 0.00 C ATOM 937 CG ASN A 65 3.753 3.701 -10.821 1.00 0.00 C ATOM 938 OD1 ASN A 65 4.093 4.120 -9.714 1.00 0.00 O ATOM 939 ND2 ASN A 65 3.266 4.500 -11.772 1.00 0.00 N ATOM 0 H ASN A 65 1.604 1.116 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 65 1.733 1.885 -10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.798 1.838 -10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.088 2.149 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.163 5.499 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.996 4.112 -12.676 1.00 0.00 H new ATOM 946 N GLU A 66 3.558 -0.829 -11.871 1.00 0.00 N ATOM 947 CA GLU A 66 3.880 -2.206 -12.489 1.00 0.00 C ATOM 948 C GLU A 66 5.289 -2.706 -11.823 1.00 0.00 C ATOM 949 O GLU A 66 5.836 -3.811 -12.177 1.00 0.00 O ATOM 950 CB GLU A 66 4.006 -2.189 -14.125 1.00 0.00 C ATOM 951 CG GLU A 66 2.666 -2.132 -14.943 1.00 0.00 C ATOM 952 CD GLU A 66 2.848 -2.124 -16.480 1.00 0.00 C ATOM 953 OE1 GLU A 66 2.863 -3.227 -17.094 1.00 0.00 O ATOM 954 OE2 GLU A 66 2.941 -1.014 -17.072 1.00 0.00 O ATOM 0 H GLU A 66 4.422 -0.443 -11.489 1.00 0.00 H new ATOM 0 HA GLU A 66 3.053 -2.883 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.613 -1.329 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.553 -3.081 -14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.051 -2.989 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.115 -1.238 -14.651 1.00 0.00 H new ATOM 961 N VAL A 67 5.780 -1.890 -10.717 1.00 0.00 N ATOM 962 CA VAL A 67 7.144 -1.921 -10.091 1.00 0.00 C ATOM 963 C VAL A 67 7.230 -2.653 -8.703 1.00 0.00 C ATOM 964 O VAL A 67 6.228 -2.649 -7.877 1.00 0.00 O ATOM 965 CB VAL A 67 7.989 -0.467 -10.111 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.367 -0.025 -11.490 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.431 0.738 -9.256 1.00 0.00 C ATOM 0 H VAL A 67 5.179 -1.198 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 67 7.683 -2.564 -10.787 1.00 0.00 H new ATOM 0 HB VAL A 67 8.886 -0.755 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.909 0.919 -11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.001 -0.781 -11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.466 0.109 -12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.086 1.602 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.428 0.993 -9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.393 0.452 -8.205 1.00 0.00 H new ATOM 977 N ASP A 68 8.529 -3.138 -8.438 1.00 0.00 N ATOM 978 CA ASP A 68 8.974 -3.941 -7.283 1.00 0.00 C ATOM 979 C ASP A 68 9.382 -3.094 -6.015 1.00 0.00 C ATOM 980 O ASP A 68 10.512 -2.497 -5.945 1.00 0.00 O ATOM 981 CB ASP A 68 9.963 -5.197 -7.650 1.00 0.00 C ATOM 982 CG ASP A 68 11.310 -4.886 -8.410 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.304 -4.895 -9.662 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.335 -4.648 -7.732 1.00 0.00 O ATOM 0 H ASP A 68 9.299 -2.947 -9.080 1.00 0.00 H new ATOM 0 HA ASP A 68 8.068 -4.451 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.215 -5.705 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.394 -5.903 -8.255 1.00 0.00 H new ATOM 989 N VAL A 69 8.361 -3.018 -5.069 1.00 0.00 N ATOM 990 CA VAL A 69 8.457 -2.339 -3.684 1.00 0.00 C ATOM 991 C VAL A 69 8.912 -3.309 -2.496 1.00 0.00 C ATOM 992 O VAL A 69 9.440 -2.827 -1.477 1.00 0.00 O ATOM 993 CB VAL A 69 7.212 -1.330 -3.263 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.134 -0.070 -4.085 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.788 -1.971 -3.071 1.00 0.00 C ATOM 0 H VAL A 69 7.441 -3.425 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 69 9.289 -1.652 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 69 7.518 -1.062 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.293 0.534 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.058 0.497 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.995 -0.328 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.073 -1.195 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.473 -2.443 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.830 -2.720 -2.281 1.00 0.00 H new ATOM 1005 N ARG A 70 8.771 -4.712 -2.745 1.00 0.00 N ATOM 1006 CA ARG A 70 9.092 -5.928 -1.778 1.00 0.00 C ATOM 1007 C ARG A 70 10.489 -5.864 -0.914 1.00 0.00 C ATOM 1008 O ARG A 70 10.572 -6.434 0.214 1.00 0.00 O ATOM 1009 CB ARG A 70 8.838 -7.364 -2.502 1.00 0.00 C ATOM 1010 CG ARG A 70 9.625 -7.728 -3.861 1.00 0.00 C ATOM 1011 CD ARG A 70 9.301 -9.148 -4.427 1.00 0.00 C ATOM 1012 NE ARG A 70 9.920 -10.319 -3.632 1.00 0.00 N ATOM 1013 CZ ARG A 70 9.906 -11.709 -3.908 1.00 0.00 C ATOM 1014 NH1 ARG A 70 9.302 -12.273 -5.003 1.00 0.00 N ATOM 1015 NH2 ARG A 70 10.516 -12.522 -3.054 1.00 0.00 N ATOM 0 H ARG A 70 8.423 -5.042 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 70 8.354 -5.813 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.071 -8.141 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.771 -7.436 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.383 -6.983 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.697 -7.658 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.219 -9.276 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.652 -9.202 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 70 10.413 -10.051 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.823 -11.682 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.332 -13.284 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.977 -12.141 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.524 -13.528 -3.224 1.00 0.00 H new ATOM 1029 N GLU A 71 11.539 -5.100 -1.526 1.00 0.00 N ATOM 1030 CA GLU A 71 12.893 -4.737 -0.989 1.00 0.00 C ATOM 1031 C GLU A 71 13.260 -3.223 -1.416 1.00 0.00 C ATOM 1032 O GLU A 71 14.002 -2.951 -2.438 1.00 0.00 O ATOM 1033 CB GLU A 71 14.038 -5.791 -1.374 1.00 0.00 C ATOM 1034 CG GLU A 71 14.167 -7.071 -0.475 1.00 0.00 C ATOM 1035 CD GLU A 71 15.294 -8.045 -0.898 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.023 -8.966 -1.716 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.439 -7.904 -0.386 1.00 0.00 O ATOM 0 H GLU A 71 11.410 -4.719 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 71 12.843 -4.785 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.867 -6.115 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.995 -5.270 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.342 -6.760 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.218 -7.606 -0.490 1.00 0.00 H new ATOM 1044 N VAL A 72 12.574 -2.229 -0.669 1.00 0.00 N ATOM 1045 CA VAL A 72 12.783 -0.678 -0.755 1.00 0.00 C ATOM 1046 C VAL A 72 12.646 -0.053 0.703 1.00 0.00 C ATOM 1047 O VAL A 72 12.070 -0.683 1.617 1.00 0.00 O ATOM 1048 CB VAL A 72 11.755 0.178 -1.907 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.836 -0.353 -3.361 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.257 0.548 -1.553 1.00 0.00 C ATOM 0 H VAL A 72 11.858 -2.480 0.013 1.00 0.00 H new ATOM 0 HA VAL A 72 13.788 -0.537 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 72 12.259 1.139 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.173 0.231 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.860 -0.264 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.533 -1.400 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.802 1.070 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.696 -0.363 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.239 1.193 -0.674 1.00 0.00 H new ATOM 1060 N THR A 73 13.090 1.255 0.801 1.00 0.00 N ATOM 1061 CA THR A 73 12.884 2.249 1.991 1.00 0.00 C ATOM 1062 C THR A 73 11.417 2.915 1.916 1.00 0.00 C ATOM 1063 O THR A 73 10.757 2.824 0.840 1.00 0.00 O ATOM 1064 CB THR A 73 14.018 3.419 2.058 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.355 3.983 0.769 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.273 3.006 2.808 1.00 0.00 C ATOM 0 H THR A 73 13.621 1.684 0.043 1.00 0.00 H new ATOM 0 HA THR A 73 12.982 1.660 2.903 1.00 0.00 H new ATOM 0 HB THR A 73 13.539 4.209 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.037 4.677 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.983 3.833 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.014 2.744 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.724 2.144 2.316 1.00 0.00 H new ATOM 1074 N HIS A 74 10.910 3.594 3.075 1.00 0.00 N ATOM 1075 CA HIS A 74 9.513 4.373 3.152 1.00 0.00 C ATOM 1076 C HIS A 74 9.327 5.468 1.972 1.00 0.00 C ATOM 1077 O HIS A 74 8.398 5.336 1.089 1.00 0.00 O ATOM 1078 CB HIS A 74 9.164 4.932 4.655 1.00 0.00 C ATOM 1079 CG HIS A 74 10.033 6.085 5.342 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.502 7.334 5.665 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.323 6.115 5.808 1.00 0.00 C ATOM 1082 CE1 HIS A 74 10.422 8.073 6.297 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.529 7.353 6.391 1.00 0.00 N ATOM 0 H HIS A 74 11.426 3.624 3.954 1.00 0.00 H new ATOM 0 HA HIS A 74 8.744 3.626 2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.133 5.285 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.190 4.073 5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.047 5.317 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.285 9.079 6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.398 7.663 6.825 1.00 0.00 H new ATOM 1092 N SER A 75 10.463 6.343 1.842 1.00 0.00 N ATOM 1093 CA SER A 75 10.713 7.432 0.775 1.00 0.00 C ATOM 1094 C SER A 75 10.646 6.914 -0.749 1.00 0.00 C ATOM 1095 O SER A 75 9.982 7.567 -1.581 1.00 0.00 O ATOM 1096 CB SER A 75 12.054 8.226 1.070 1.00 0.00 C ATOM 1097 OG SER A 75 13.215 7.382 1.220 1.00 0.00 O ATOM 0 H SER A 75 11.236 6.290 2.505 1.00 0.00 H new ATOM 0 HA SER A 75 9.873 8.120 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.233 8.931 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.924 8.813 1.979 1.00 0.00 H new ATOM 0 HG SER A 75 14.003 7.938 1.398 1.00 0.00 H new ATOM 1103 N ALA A 76 11.192 5.578 -0.997 1.00 0.00 N ATOM 1104 CA ALA A 76 11.258 4.845 -2.309 1.00 0.00 C ATOM 1105 C ALA A 76 9.837 4.194 -2.753 1.00 0.00 C ATOM 1106 O ALA A 76 9.619 3.932 -3.979 1.00 0.00 O ATOM 1107 CB ALA A 76 12.371 3.802 -2.174 1.00 0.00 C ATOM 0 H ALA A 76 11.589 5.025 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 76 11.483 5.543 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.459 3.241 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.315 4.303 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.132 3.118 -1.359 1.00 0.00 H new ATOM 1113 N ALA A 77 8.853 3.989 -1.684 1.00 0.00 N ATOM 1114 CA ALA A 77 7.395 3.558 -1.859 1.00 0.00 C ATOM 1115 C ALA A 77 6.406 4.800 -2.092 1.00 0.00 C ATOM 1116 O ALA A 77 5.461 4.679 -2.906 1.00 0.00 O ATOM 1117 CB ALA A 77 6.942 2.675 -0.667 1.00 0.00 C ATOM 0 H ALA A 77 9.096 4.130 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 77 7.340 2.959 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.903 2.378 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.570 1.785 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.035 3.240 0.260 1.00 0.00 H new ATOM 1123 N VAL A 78 6.728 6.037 -1.398 1.00 0.00 N ATOM 1124 CA VAL A 78 5.973 7.437 -1.511 1.00 0.00 C ATOM 1125 C VAL A 78 6.280 8.162 -2.945 1.00 0.00 C ATOM 1126 O VAL A 78 5.352 8.703 -3.541 1.00 0.00 O ATOM 1127 CB VAL A 78 6.288 8.433 -0.162 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.594 9.834 -0.142 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.835 7.779 1.124 1.00 0.00 C ATOM 0 H VAL A 78 7.514 6.085 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 78 4.900 7.248 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 78 7.366 8.573 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.876 10.367 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.910 10.409 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.512 9.704 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.050 8.440 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.763 7.589 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.365 6.836 1.259 1.00 0.00 H new ATOM 1139 N GLU A 79 7.613 8.076 -3.450 1.00 0.00 N ATOM 1140 CA GLU A 79 8.182 8.622 -4.838 1.00 0.00 C ATOM 1141 C GLU A 79 7.539 7.963 -6.151 1.00 0.00 C ATOM 1142 O GLU A 79 7.614 8.538 -7.255 1.00 0.00 O ATOM 1143 CB GLU A 79 9.746 8.527 -4.904 1.00 0.00 C ATOM 1144 CG GLU A 79 10.503 9.584 -4.057 1.00 0.00 C ATOM 1145 CD GLU A 79 12.047 9.549 -4.179 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.602 10.257 -5.064 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.702 8.838 -3.367 1.00 0.00 O ATOM 0 H GLU A 79 8.345 7.620 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 79 7.874 9.667 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.049 7.534 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.058 8.626 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.155 10.575 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.235 9.446 -3.010 1.00 0.00 H new ATOM 1154 N ALA A 80 6.892 6.722 -5.953 1.00 0.00 N ATOM 1155 CA ALA A 80 5.997 5.993 -6.938 1.00 0.00 C ATOM 1156 C ALA A 80 4.483 6.601 -6.955 1.00 0.00 C ATOM 1157 O ALA A 80 3.809 6.566 -8.021 1.00 0.00 O ATOM 1158 CB ALA A 80 6.037 4.471 -6.632 1.00 0.00 C ATOM 0 H ALA A 80 6.994 6.207 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 80 6.375 6.147 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.396 3.941 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.060 4.107 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.683 4.295 -5.616 1.00 0.00 H new ATOM 1164 N LEU A 81 4.013 7.207 -5.716 1.00 0.00 N ATOM 1165 CA LEU A 81 2.642 7.880 -5.464 1.00 0.00 C ATOM 1166 C LEU A 81 2.571 9.450 -5.693 1.00 0.00 C ATOM 1167 O LEU A 81 1.472 9.981 -6.001 1.00 0.00 O ATOM 1168 CB LEU A 81 2.027 7.430 -4.053 1.00 0.00 C ATOM 1169 CG LEU A 81 1.724 5.907 -3.874 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.201 5.406 -2.556 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.266 5.521 -4.151 1.00 0.00 C ATOM 0 H LEU A 81 4.601 7.225 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 81 2.005 7.499 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.719 7.734 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.101 7.982 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 81 2.298 5.400 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.973 4.344 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.278 5.554 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.701 5.953 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.140 4.448 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.389 6.060 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.010 5.780 -5.178 1.00 0.00 H new ATOM 1183 N LYS A 82 3.767 10.167 -5.489 1.00 0.00 N ATOM 1184 CA LYS A 82 4.013 11.671 -5.724 1.00 0.00 C ATOM 1185 C LYS A 82 4.531 12.030 -7.194 1.00 0.00 C ATOM 1186 O LYS A 82 4.124 13.095 -7.744 1.00 0.00 O ATOM 1187 CB LYS A 82 4.959 12.306 -4.603 1.00 0.00 C ATOM 1188 CG LYS A 82 4.285 12.646 -3.241 1.00 0.00 C ATOM 1189 CD LYS A 82 5.290 13.313 -2.253 1.00 0.00 C ATOM 1190 CE LYS A 82 4.666 13.753 -0.883 1.00 0.00 C ATOM 1191 NZ LYS A 82 3.808 15.004 -0.951 1.00 0.00 N ATOM 0 H LYS A 82 4.606 9.699 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 82 3.029 12.131 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.779 11.613 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.399 13.219 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.441 13.315 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.886 11.735 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.105 12.616 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.727 14.187 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.061 12.934 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.472 13.920 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.437 15.222 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.383 15.802 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.015 14.846 -1.606 1.00 0.00 H new ATOM 1205 N GLU A 83 5.443 11.106 -7.809 1.00 0.00 N ATOM 1206 CA GLU A 83 6.110 11.310 -9.239 1.00 0.00 C ATOM 1207 C GLU A 83 5.413 10.742 -10.536 1.00 0.00 C ATOM 1208 O GLU A 83 5.748 11.237 -11.687 1.00 0.00 O ATOM 1209 CB GLU A 83 7.609 10.994 -9.243 1.00 0.00 C ATOM 1210 CG GLU A 83 8.427 12.085 -8.573 1.00 0.00 C ATOM 1211 CD GLU A 83 9.969 11.919 -8.634 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.596 12.429 -9.605 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.550 11.308 -7.695 1.00 0.00 O ATOM 0 H GLU A 83 5.729 10.238 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 83 5.929 12.379 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.780 10.047 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.949 10.867 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.167 13.039 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.130 12.142 -7.526 1.00 0.00 H new ATOM 1220 N ALA A 84 4.375 9.764 -10.385 1.00 0.00 N ATOM 1221 CA ALA A 84 3.597 9.059 -11.599 1.00 0.00 C ATOM 1222 C ALA A 84 2.900 10.056 -12.686 1.00 0.00 C ATOM 1223 O ALA A 84 2.705 9.667 -13.892 1.00 0.00 O ATOM 1224 CB ALA A 84 2.632 7.982 -11.101 1.00 0.00 C ATOM 0 H ALA A 84 4.056 9.445 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 84 4.390 8.580 -12.174 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.124 7.527 -11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.189 7.217 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.895 8.433 -10.437 1.00 0.00 H new ATOM 1230 N GLY A 85 2.586 11.350 -12.182 1.00 0.00 N ATOM 1231 CA GLY A 85 2.223 12.542 -13.003 1.00 0.00 C ATOM 1232 C GLY A 85 0.810 13.078 -12.943 1.00 0.00 C ATOM 1233 O GLY A 85 0.640 14.322 -12.999 1.00 0.00 O ATOM 0 H GLY A 85 2.590 11.553 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.894 13.353 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.438 12.301 -14.044 1.00 0.00 H new ATOM 1237 N SER A 86 -0.240 12.122 -12.797 1.00 0.00 N ATOM 1238 CA SER A 86 -1.779 12.373 -12.827 1.00 0.00 C ATOM 1239 C SER A 86 -2.624 11.104 -12.428 1.00 0.00 C ATOM 1240 O SER A 86 -3.707 11.259 -11.795 1.00 0.00 O ATOM 1241 CB SER A 86 -2.280 12.985 -14.235 1.00 0.00 C ATOM 1242 OG SER A 86 -2.058 12.125 -15.377 1.00 0.00 O ATOM 0 H SER A 86 -0.028 11.135 -12.652 1.00 0.00 H new ATOM 0 HA SER A 86 -1.959 13.125 -12.059 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.345 13.204 -14.163 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.771 13.933 -14.406 1.00 0.00 H new ATOM 0 HG SER A 86 -2.389 12.565 -16.187 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.089 9.834 -12.824 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.756 8.473 -12.627 1.00 0.00 C ATOM 1250 C ILE A 87 -1.718 7.495 -11.921 1.00 0.00 C ATOM 1251 O ILE A 87 -0.605 7.206 -12.462 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.507 7.860 -14.064 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.580 8.904 -14.804 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.120 6.378 -13.993 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.876 9.464 -14.045 1.00 0.00 C ATOM 0 H ILE A 87 -1.183 9.756 -13.286 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.610 8.574 -11.957 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.628 7.777 -14.703 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.004 9.772 -15.126 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.934 8.404 -15.706 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.558 6.119 -14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.329 5.668 -13.752 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.890 6.339 -13.222 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.431 10.124 -14.711 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.512 8.630 -13.748 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.567 10.019 -13.159 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.191 7.001 -10.709 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.456 6.126 -9.707 1.00 0.00 C ATOM 1269 C VAL A 88 -2.216 4.742 -9.451 1.00 0.00 C ATOM 1270 O VAL A 88 -3.414 4.733 -9.041 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.092 6.971 -8.338 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.235 7.667 -8.329 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.076 7.372 -7.187 1.00 0.00 C ATOM 0 H VAL A 88 -3.137 7.214 -10.394 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.497 5.837 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.266 5.982 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.366 8.189 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.032 6.933 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.274 8.386 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.533 7.926 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.873 7.997 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.507 6.473 -6.747 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.460 3.602 -9.722 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.925 2.141 -9.577 1.00 0.00 C ATOM 1285 C ARG A 89 -1.196 1.410 -8.343 1.00 0.00 C ATOM 1286 O ARG A 89 0.007 1.613 -8.093 1.00 0.00 O ATOM 1287 CB ARG A 89 -1.816 1.380 -11.034 1.00 0.00 C ATOM 1288 CG ARG A 89 -2.321 -0.071 -11.241 1.00 0.00 C ATOM 1289 CD ARG A 89 -2.118 -0.403 -12.693 1.00 0.00 C ATOM 1290 NE ARG A 89 -2.406 -1.854 -13.044 1.00 0.00 N ATOM 1291 CZ ARG A 89 -2.213 -2.540 -14.279 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.756 -1.947 -15.431 1.00 0.00 N ATOM 1293 NH2 ARG A 89 -2.494 -3.832 -14.326 1.00 0.00 N ATOM 0 H ARG A 89 -0.497 3.668 -10.052 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.980 2.099 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.345 2.003 -11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.763 1.390 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.771 -0.765 -10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.373 -0.156 -10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.761 0.240 -13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.089 -0.171 -12.967 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.793 -2.418 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.531 -0.952 -15.438 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.642 -2.502 -16.279 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.838 -4.310 -13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.366 -4.350 -15.195 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.062 0.655 -7.548 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.711 -0.250 -6.368 1.00 0.00 C ATOM 1309 C LEU A 90 -2.216 -1.746 -6.577 1.00 0.00 C ATOM 1310 O LEU A 90 -3.370 -1.978 -7.081 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.201 0.413 -4.926 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.706 0.870 -4.684 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.604 -0.247 -4.150 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.710 2.063 -3.795 1.00 0.00 C ATOM 0 H LEU A 90 -3.067 0.663 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.624 -0.317 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.962 -0.312 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.574 1.287 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.138 1.132 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.615 0.135 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.624 -1.070 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.214 -0.603 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.737 2.385 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.245 1.809 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.151 2.871 -4.268 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.296 -2.741 -6.178 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.528 -4.236 -6.192 1.00 0.00 C ATOM 1328 C TYR A 91 -1.413 -4.825 -4.744 1.00 0.00 C ATOM 1329 O TYR A 91 -0.253 -4.916 -4.155 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.556 -4.988 -7.277 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.887 -6.486 -7.721 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.148 -6.870 -8.223 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.074 -7.467 -7.596 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.424 -8.141 -8.570 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.184 -8.770 -7.956 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.438 -9.113 -8.442 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.696 -10.413 -8.816 1.00 0.00 O ATOM 0 H TYR A 91 -0.366 -2.500 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.547 -4.427 -6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.538 -4.376 -8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.455 -4.984 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.917 -6.120 -8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.048 -7.208 -7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.402 -8.403 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.585 -9.522 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.899 -10.962 -8.662 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.653 -5.268 -4.236 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.914 -5.811 -2.782 1.00 0.00 C ATOM 1349 C VAL A 92 -3.129 -7.454 -2.672 1.00 0.00 C ATOM 1350 O VAL A 92 -3.527 -8.120 -3.680 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.128 -4.950 -1.970 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.846 -3.445 -1.854 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.561 -5.169 -2.544 1.00 0.00 C ATOM 0 H VAL A 92 -3.499 -5.264 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.976 -5.623 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.103 -5.380 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.666 -2.961 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.917 -3.290 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.755 -3.014 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.277 -4.583 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.588 -4.852 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.821 -6.225 -2.479 1.00 0.00 H new ATOM 1363 N MET A 93 -2.916 -7.996 -1.366 1.00 0.00 N ATOM 1364 CA MET A 93 -2.923 -9.516 -0.943 1.00 0.00 C ATOM 1365 C MET A 93 -3.871 -9.860 0.306 1.00 0.00 C ATOM 1366 O MET A 93 -3.701 -9.285 1.424 1.00 0.00 O ATOM 1367 CB MET A 93 -1.399 -10.164 -0.795 1.00 0.00 C ATOM 1368 CG MET A 93 -0.348 -9.503 0.202 1.00 0.00 C ATOM 1369 SD MET A 93 1.227 -10.382 0.236 1.00 0.00 S ATOM 1370 CE MET A 93 2.148 -9.387 1.407 1.00 0.00 C ATOM 0 H MET A 93 -2.733 -7.386 -0.569 1.00 0.00 H new ATOM 0 HA MET A 93 -3.389 -10.023 -1.788 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.517 -11.206 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.949 -10.164 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.175 -8.468 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.770 -9.482 1.207 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.146 -9.806 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.228 -8.366 1.034 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.631 -9.383 2.367 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.880 -10.830 0.052 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.904 -11.419 1.066 1.00 0.00 C ATOM 1382 C ARG A 94 -6.099 -12.970 0.837 1.00 0.00 C ATOM 1383 O ARG A 94 -6.217 -13.434 -0.329 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.354 -10.673 1.068 1.00 0.00 C ATOM 1385 CG ARG A 94 -7.421 -9.247 1.729 1.00 0.00 C ATOM 1386 CD ARG A 94 -8.858 -8.630 1.766 1.00 0.00 C ATOM 1387 NE ARG A 94 -9.803 -9.260 2.818 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.178 -9.027 3.057 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -11.951 -8.153 2.336 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.762 -9.702 4.039 1.00 0.00 N ATOM 0 H ARG A 94 -5.002 -11.228 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.466 -11.239 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.691 -10.584 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.067 -11.318 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.038 -9.312 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.761 -8.573 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.775 -7.561 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.311 -8.737 0.780 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.368 -9.948 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.539 -7.620 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.938 -8.036 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.221 -10.365 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.752 -9.558 4.238 1.00 0.00 H new ATOM 1604 N SER B 8 2.657 9.653 5.446 1.00 0.00 N ATOM 1605 CA SER B 8 2.814 9.103 4.017 1.00 0.00 C ATOM 1606 C SER B 8 1.463 9.271 3.142 1.00 0.00 C ATOM 1607 O SER B 8 0.473 9.903 3.631 1.00 0.00 O ATOM 1608 CB SER B 8 3.332 7.584 4.070 1.00 0.00 C ATOM 1609 OG SER B 8 4.605 7.467 4.708 1.00 0.00 O ATOM 0 HA SER B 8 3.568 9.698 3.501 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.604 6.973 4.603 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.399 7.190 3.056 1.00 0.00 H new ATOM 0 HG SER B 8 4.793 6.523 4.892 1.00 0.00 H new ATOM 1615 N VAL B 9 1.463 8.713 1.810 1.00 0.00 N ATOM 1616 CA VAL B 9 0.305 8.802 0.803 1.00 0.00 C ATOM 1617 C VAL B 9 -0.313 7.332 0.612 1.00 0.00 C ATOM 1618 O VAL B 9 -1.344 7.086 1.203 1.00 0.00 O ATOM 1619 CB VAL B 9 0.694 9.565 -0.694 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.560 10.102 -1.460 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.666 10.783 -0.583 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.263 6.499 -0.106 1.00 0.00 O ATOM 0 H VAL B 9 2.265 8.204 1.439 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.445 9.472 1.222 1.00 0.00 H new ATOM 0 HB VAL B 9 1.179 8.750 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.244 10.570 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.234 9.274 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.077 10.837 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.849 11.194 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.218 11.549 0.050 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.610 10.457 -0.145 1.00 0.00 H new