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 -64:sc= 0.499 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+ -134:sc= 0 (180deg=-0.728) 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 -138:sc= 0.0735 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 170:sc= 0.071 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -5.927 -15.174 -2.874 1.00 0.00 N ATOM 70 CA GLU A 6 -6.763 -14.333 -3.853 1.00 0.00 C ATOM 71 C GLU A 6 -6.332 -12.812 -3.885 1.00 0.00 C ATOM 72 O GLU A 6 -6.488 -12.068 -2.874 1.00 0.00 O ATOM 73 CB GLU A 6 -8.390 -14.596 -3.781 1.00 0.00 C ATOM 74 CG GLU A 6 -9.166 -14.418 -2.387 1.00 0.00 C ATOM 75 CD GLU A 6 -10.694 -14.626 -2.476 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.159 -15.779 -2.291 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.426 -13.626 -2.706 1.00 0.00 O ATOM 0 HA GLU A 6 -6.508 -14.716 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.860 -13.927 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.570 -15.614 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.757 -15.124 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.970 -13.418 -2.001 1.00 0.00 H new ATOM 84 N TYR A 7 -5.777 -12.402 -5.102 1.00 0.00 N ATOM 85 CA TYR A 7 -5.147 -11.027 -5.407 1.00 0.00 C ATOM 86 C TYR A 7 -6.111 -10.060 -6.192 1.00 0.00 C ATOM 87 O TYR A 7 -6.900 -10.520 -7.096 1.00 0.00 O ATOM 88 CB TYR A 7 -3.750 -11.199 -6.205 1.00 0.00 C ATOM 89 CG TYR A 7 -2.570 -12.028 -5.540 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.488 -13.439 -5.643 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.553 -11.380 -4.864 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.435 -14.142 -5.091 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.486 -12.088 -4.303 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.434 -13.464 -4.425 1.00 0.00 C ATOM 95 OH TYR A 7 0.619 -14.161 -3.876 1.00 0.00 O ATOM 0 H TYR A 7 -5.753 -13.023 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.956 -10.560 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.976 -11.664 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.369 -10.200 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.266 -13.977 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.583 -10.305 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.395 -15.218 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.296 -11.561 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 7 1.236 -13.534 -3.444 1.00 0.00 H new ATOM 105 N GLU A 8 -6.033 -8.683 -5.805 1.00 0.00 N ATOM 106 CA GLU A 8 -6.913 -7.560 -6.379 1.00 0.00 C ATOM 107 C GLU A 8 -6.010 -6.349 -6.919 1.00 0.00 C ATOM 108 O GLU A 8 -5.040 -5.899 -6.229 1.00 0.00 O ATOM 109 CB GLU A 8 -8.039 -7.099 -5.286 1.00 0.00 C ATOM 110 CG GLU A 8 -9.369 -6.427 -5.837 1.00 0.00 C ATOM 111 CD GLU A 8 -10.391 -6.034 -4.745 1.00 0.00 C ATOM 112 OE1 GLU A 8 -11.269 -6.874 -4.408 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.332 -4.876 -4.251 1.00 0.00 O ATOM 0 H GLU A 8 -5.371 -8.350 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.461 -7.936 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.322 -7.977 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.570 -6.398 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.102 -5.535 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.847 -7.116 -6.533 1.00 0.00 H new ATOM 120 N GLU A 9 -6.368 -5.878 -8.210 1.00 0.00 N ATOM 121 CA GLU A 9 -5.753 -4.691 -8.944 1.00 0.00 C ATOM 122 C GLU A 9 -6.720 -3.418 -8.972 1.00 0.00 C ATOM 123 O GLU A 9 -7.836 -3.474 -9.601 1.00 0.00 O ATOM 124 CB GLU A 9 -5.091 -5.080 -10.397 1.00 0.00 C ATOM 125 CG GLU A 9 -5.990 -5.771 -11.542 1.00 0.00 C ATOM 126 CD GLU A 9 -5.228 -6.081 -12.849 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.202 -5.204 -13.754 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.685 -7.210 -12.977 1.00 0.00 O ATOM 0 H GLU A 9 -7.100 -6.330 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.895 -4.381 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.679 -4.163 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.251 -5.746 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.407 -6.699 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.830 -5.116 -11.772 1.00 0.00 H new ATOM 135 N ILE A 10 -6.277 -2.296 -8.224 1.00 0.00 N ATOM 136 CA ILE A 10 -7.057 -0.962 -8.086 1.00 0.00 C ATOM 137 C ILE A 10 -6.251 0.213 -8.865 1.00 0.00 C ATOM 138 O ILE A 10 -4.993 0.272 -8.806 1.00 0.00 O ATOM 139 CB ILE A 10 -7.424 -0.606 -6.444 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.283 -1.787 -5.738 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.148 0.832 -6.177 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.892 -2.112 -4.259 1.00 0.00 C ATOM 0 H ILE A 10 -5.393 -2.294 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.032 -1.050 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.439 -0.536 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.337 -1.511 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.176 -2.695 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.334 0.953 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.500 1.636 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.095 0.868 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.526 -2.915 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.849 -2.425 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.028 -1.223 -3.643 1.00 0.00 H new ATOM 154 N THR A 11 -7.068 1.107 -9.597 1.00 0.00 N ATOM 155 CA THR A 11 -6.597 2.371 -10.316 1.00 0.00 C ATOM 156 C THR A 11 -7.399 3.622 -9.712 1.00 0.00 C ATOM 157 O THR A 11 -8.677 3.672 -9.745 1.00 0.00 O ATOM 158 CB THR A 11 -6.712 2.285 -11.973 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.397 0.951 -12.437 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.683 3.233 -12.691 1.00 0.00 C ATOM 0 H THR A 11 -8.072 0.957 -9.696 1.00 0.00 H new ATOM 0 HA THR A 11 -5.529 2.491 -10.134 1.00 0.00 H new ATOM 0 HB THR A 11 -7.735 2.576 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.471 0.918 -13.414 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.797 3.142 -13.771 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.869 4.265 -12.392 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.669 2.951 -12.408 1.00 0.00 H new ATOM 168 N LEU A 12 -6.560 4.599 -9.156 1.00 0.00 N ATOM 169 CA LEU A 12 -6.972 5.912 -8.520 1.00 0.00 C ATOM 170 C LEU A 12 -6.402 7.140 -9.313 1.00 0.00 C ATOM 171 O LEU A 12 -5.253 7.081 -9.868 1.00 0.00 O ATOM 172 CB LEU A 12 -6.474 6.036 -6.952 1.00 0.00 C ATOM 173 CG LEU A 12 -7.172 5.268 -5.747 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.244 5.345 -4.559 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.543 5.897 -5.331 1.00 0.00 C ATOM 0 H LEU A 12 -5.547 4.477 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.062 5.922 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.425 5.740 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.509 7.096 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.366 4.245 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.693 4.827 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.293 4.875 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.075 6.389 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.969 5.328 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.390 6.930 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.227 5.872 -6.179 1.00 0.00 H new ATOM 284 N GLY A 20 -6.583 9.928 0.774 1.00 0.00 N ATOM 285 CA GLY A 20 -7.429 9.421 1.925 1.00 0.00 C ATOM 286 C GLY A 20 -6.917 8.165 2.675 1.00 0.00 C ATOM 287 O GLY A 20 -7.760 7.421 3.236 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.534 10.229 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.426 9.204 1.542 1.00 0.00 H new ATOM 291 N PHE A 21 -5.488 7.924 2.675 1.00 0.00 N ATOM 292 CA PHE A 21 -4.738 6.807 3.396 1.00 0.00 C ATOM 293 C PHE A 21 -3.207 7.262 3.679 1.00 0.00 C ATOM 294 O PHE A 21 -2.773 8.353 3.175 1.00 0.00 O ATOM 295 CB PHE A 21 -4.865 5.347 2.585 1.00 0.00 C ATOM 296 CG PHE A 21 -4.132 5.094 1.177 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.588 5.668 -0.046 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.045 4.220 1.118 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.959 5.366 -1.255 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.418 3.933 -0.094 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.877 4.503 -1.271 1.00 0.00 C ATOM 0 H PHE A 21 -4.853 8.530 2.156 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.205 6.633 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.511 4.575 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.928 5.167 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.430 6.344 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.684 3.759 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.316 5.804 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.571 3.263 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.388 4.273 -2.206 1.00 0.00 H new ATOM 311 N SER A 22 -2.411 6.439 4.559 1.00 0.00 N ATOM 312 CA SER A 22 -0.907 6.568 4.760 1.00 0.00 C ATOM 313 C SER A 22 -0.225 5.141 4.766 1.00 0.00 C ATOM 314 O SER A 22 -0.826 4.144 5.310 1.00 0.00 O ATOM 315 CB SER A 22 -0.530 7.405 6.046 1.00 0.00 C ATOM 316 OG SER A 22 -0.985 8.752 5.986 1.00 0.00 O ATOM 0 H SER A 22 -2.821 5.693 5.121 1.00 0.00 H new ATOM 0 HA SER A 22 -0.515 7.132 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.957 6.922 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.553 7.398 6.173 1.00 0.00 H new ATOM 0 HG SER A 22 -0.530 9.219 5.255 1.00 0.00 H new ATOM 322 N ILE A 23 1.070 5.046 4.150 1.00 0.00 N ATOM 323 CA ILE A 23 1.899 3.721 3.977 1.00 0.00 C ATOM 324 C ILE A 23 3.318 3.615 4.617 1.00 0.00 C ATOM 325 O ILE A 23 4.224 4.435 4.325 1.00 0.00 O ATOM 326 CB ILE A 23 1.804 2.945 2.542 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.817 3.813 1.159 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.573 2.109 2.614 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.109 4.591 0.706 1.00 0.00 C ATOM 0 H ILE A 23 1.551 5.862 3.772 1.00 0.00 H new ATOM 0 HA ILE A 23 1.277 3.146 4.663 1.00 0.00 H new ATOM 0 HB ILE A 23 2.741 2.396 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.554 3.131 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.012 4.545 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.450 1.561 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.660 1.403 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.294 2.750 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.914 5.104 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.379 5.322 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.930 3.886 0.572 1.00 0.00 H new ATOM 341 N ALA A 24 3.482 2.469 5.476 1.00 0.00 N ATOM 342 CA ALA A 24 4.754 2.151 6.274 1.00 0.00 C ATOM 343 C ALA A 24 5.584 0.998 5.587 1.00 0.00 C ATOM 344 O ALA A 24 4.991 -0.033 5.147 1.00 0.00 O ATOM 345 CB ALA A 24 4.454 1.880 7.828 1.00 0.00 C ATOM 0 H ALA A 24 2.744 1.778 5.612 1.00 0.00 H new ATOM 0 HA ALA A 24 5.383 3.041 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.388 1.660 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.994 2.764 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.777 1.032 7.925 1.00 0.00 H new ATOM 351 N GLY A 25 6.946 1.256 5.440 1.00 0.00 N ATOM 352 CA GLY A 25 7.959 0.305 4.827 1.00 0.00 C ATOM 353 C GLY A 25 9.409 0.567 5.284 1.00 0.00 C ATOM 354 O GLY A 25 9.676 1.609 5.986 1.00 0.00 O ATOM 0 H GLY A 25 7.366 2.133 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.686 -0.718 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.909 0.385 3.741 1.00 0.00 H new ATOM 358 N GLY A 26 10.336 -0.437 4.968 1.00 0.00 N ATOM 359 CA GLY A 26 11.798 -0.274 5.282 1.00 0.00 C ATOM 360 C GLY A 26 12.753 -1.417 4.999 1.00 0.00 C ATOM 361 O GLY A 26 12.529 -2.542 5.491 1.00 0.00 O ATOM 0 H GLY A 26 10.094 -1.320 4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.156 0.595 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.880 -0.034 6.342 1.00 0.00 H new ATOM 365 N THR A 27 13.853 -1.089 4.183 1.00 0.00 N ATOM 366 CA THR A 27 15.165 -1.935 4.058 1.00 0.00 C ATOM 367 C THR A 27 16.340 -1.403 4.991 1.00 0.00 C ATOM 368 O THR A 27 17.173 -2.235 5.483 1.00 0.00 O ATOM 369 CB THR A 27 15.713 -2.236 2.574 1.00 0.00 C ATOM 370 OG1 THR A 27 15.733 -1.078 1.717 1.00 0.00 O ATOM 371 CG2 THR A 27 15.013 -3.430 1.911 1.00 0.00 C ATOM 0 H THR A 27 13.867 -0.251 3.601 1.00 0.00 H new ATOM 0 HA THR A 27 14.825 -2.906 4.419 1.00 0.00 H new ATOM 0 HB THR A 27 16.756 -2.519 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.077 -1.330 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.424 -3.585 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.173 -4.325 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.944 -3.229 1.836 1.00 0.00 H new ATOM 379 N ASP A 28 16.347 0.009 5.252 1.00 0.00 N ATOM 380 CA ASP A 28 17.348 0.726 6.172 1.00 0.00 C ATOM 381 C ASP A 28 16.682 1.257 7.525 1.00 0.00 C ATOM 382 O ASP A 28 17.330 1.172 8.611 1.00 0.00 O ATOM 383 CB ASP A 28 18.195 1.884 5.429 1.00 0.00 C ATOM 384 CG ASP A 28 19.230 1.391 4.379 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.859 1.266 3.186 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.402 1.153 4.759 1.00 0.00 O ATOM 0 H ASP A 28 15.669 0.644 4.832 1.00 0.00 H new ATOM 0 HA ASP A 28 18.067 -0.044 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.497 2.560 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.721 2.467 6.185 1.00 0.00 H new ATOM 391 N ASN A 29 15.343 1.769 7.416 1.00 0.00 N ATOM 392 CA ASN A 29 14.485 2.359 8.546 1.00 0.00 C ATOM 393 C ASN A 29 13.353 1.319 9.143 1.00 0.00 C ATOM 394 O ASN A 29 12.797 0.536 8.330 1.00 0.00 O ATOM 395 CB ASN A 29 13.823 3.761 8.134 1.00 0.00 C ATOM 396 CG ASN A 29 14.801 4.974 8.018 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.056 5.679 9.002 1.00 0.00 O ATOM 398 ND2 ASN A 29 15.315 5.225 6.806 1.00 0.00 N ATOM 0 H ASN A 29 14.849 1.772 6.523 1.00 0.00 H new ATOM 0 HA ASN A 29 15.185 2.541 9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.318 3.634 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.056 4.007 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.940 6.020 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.082 4.621 6.018 1.00 0.00 H new ATOM 501 N SER A 37 9.394 -5.778 5.453 1.00 0.00 N ATOM 502 CA SER A 37 8.123 -5.700 4.554 1.00 0.00 C ATOM 503 C SER A 37 7.236 -4.362 4.698 1.00 0.00 C ATOM 504 O SER A 37 7.177 -3.743 5.804 1.00 0.00 O ATOM 505 CB SER A 37 7.230 -6.997 4.767 1.00 0.00 C ATOM 506 OG SER A 37 7.892 -8.183 4.328 1.00 0.00 O ATOM 0 HA SER A 37 8.502 -5.654 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.977 -7.093 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.292 -6.884 4.224 1.00 0.00 H new ATOM 0 HG SER A 37 7.310 -8.957 4.478 1.00 0.00 H new ATOM 512 N ILE A 38 6.556 -3.940 3.489 1.00 0.00 N ATOM 513 CA ILE A 38 5.563 -2.760 3.312 1.00 0.00 C ATOM 514 C ILE A 38 4.021 -3.313 3.593 1.00 0.00 C ATOM 515 O ILE A 38 3.597 -4.348 2.995 1.00 0.00 O ATOM 516 CB ILE A 38 5.699 -2.008 1.725 1.00 0.00 C ATOM 517 CG1 ILE A 38 7.146 -1.429 1.183 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.800 -0.722 1.599 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.504 -2.138 1.399 1.00 0.00 C ATOM 0 H ILE A 38 6.703 -4.436 2.610 1.00 0.00 H new ATOM 0 HA ILE A 38 5.809 -1.982 4.034 1.00 0.00 H new ATOM 0 HB ILE A 38 5.428 -2.887 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.038 -1.303 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.253 -0.432 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.917 -0.293 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.756 -0.991 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.104 0.009 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.299 -1.548 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.695 -2.241 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.476 -3.126 0.939 1.00 0.00 H new ATOM 531 N PHE A 39 3.259 -2.552 4.528 1.00 0.00 N ATOM 532 CA PHE A 39 1.764 -2.771 4.917 1.00 0.00 C ATOM 533 C PHE A 39 1.011 -1.354 5.123 1.00 0.00 C ATOM 534 O PHE A 39 1.697 -0.220 5.236 1.00 0.00 O ATOM 535 CB PHE A 39 1.520 -3.668 6.314 1.00 0.00 C ATOM 536 CG PHE A 39 2.180 -5.072 6.596 1.00 0.00 C ATOM 537 CD1 PHE A 39 2.044 -6.184 5.753 1.00 0.00 C ATOM 538 CD2 PHE A 39 2.895 -5.238 7.775 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.630 -7.407 6.096 1.00 0.00 C ATOM 540 CE2 PHE A 39 3.471 -6.431 8.134 1.00 0.00 C ATOM 541 CZ PHE A 39 3.345 -7.528 7.292 1.00 0.00 C ATOM 0 H PHE A 39 3.672 -1.767 5.032 1.00 0.00 H new ATOM 0 HA PHE A 39 1.355 -3.338 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.814 -3.024 7.143 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.443 -3.818 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.484 -6.096 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.002 -4.392 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.530 -8.257 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.017 -6.516 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.798 -8.471 7.560 1.00 0.00 H new ATOM 551 N ILE A 40 -0.452 -1.431 5.183 1.00 0.00 N ATOM 552 CA ILE A 40 -1.404 -0.306 5.585 1.00 0.00 C ATOM 553 C ILE A 40 -1.589 -0.351 7.179 1.00 0.00 C ATOM 554 O ILE A 40 -1.729 -1.457 7.809 1.00 0.00 O ATOM 555 CB ILE A 40 -2.929 -0.347 4.841 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.049 -1.069 3.359 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.680 1.070 4.846 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.237 -0.497 2.172 1.00 0.00 C ATOM 0 H ILE A 40 -0.950 -2.289 4.946 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.945 0.621 5.242 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.451 -1.035 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.763 -2.114 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.101 -1.058 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.648 0.971 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.827 1.400 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.076 1.804 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.433 -1.089 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.532 0.537 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.173 -0.536 2.407 1.00 0.00 H new ATOM 570 N THR A 41 -1.614 0.898 7.745 1.00 0.00 N ATOM 571 CA THR A 41 -1.670 1.245 9.258 1.00 0.00 C ATOM 572 C THR A 41 -2.559 2.508 9.581 1.00 0.00 C ATOM 573 O THR A 41 -3.122 2.576 10.726 1.00 0.00 O ATOM 574 CB THR A 41 -0.224 1.300 10.051 1.00 0.00 C ATOM 575 OG1 THR A 41 0.783 1.953 9.289 1.00 0.00 O ATOM 576 CG2 THR A 41 0.292 -0.087 10.496 1.00 0.00 C ATOM 0 H THR A 41 -1.596 1.738 7.166 1.00 0.00 H new ATOM 0 HA THR A 41 -2.170 0.370 9.672 1.00 0.00 H new ATOM 0 HB THR A 41 -0.429 1.882 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.621 1.965 9.796 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.246 0.028 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.431 -0.545 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.425 -0.723 9.621 1.00 0.00 H new ATOM 584 N LYS A 42 -2.734 3.521 8.523 1.00 0.00 N ATOM 585 CA LYS A 42 -3.589 4.760 8.686 1.00 0.00 C ATOM 586 C LYS A 42 -4.625 4.908 7.480 1.00 0.00 C ATOM 587 O LYS A 42 -4.243 4.803 6.267 1.00 0.00 O ATOM 588 CB LYS A 42 -2.638 6.063 8.902 1.00 0.00 C ATOM 589 CG LYS A 42 -3.177 7.266 9.759 1.00 0.00 C ATOM 590 CD LYS A 42 -3.773 8.425 8.934 1.00 0.00 C ATOM 591 CE LYS A 42 -4.299 9.515 9.853 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.703 10.743 9.123 1.00 0.00 N ATOM 0 H LYS A 42 -2.288 3.452 7.608 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.203 4.668 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.711 5.721 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.381 6.450 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.940 6.895 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.362 7.654 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.012 8.836 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.580 8.053 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.154 9.132 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.531 9.769 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.322 11.578 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.330 10.709 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.741 10.803 9.093 1.00 0.00 H new ATOM 606 N ILE A 43 -5.963 5.098 7.895 1.00 0.00 N ATOM 607 CA ILE A 43 -7.164 5.385 7.010 1.00 0.00 C ATOM 608 C ILE A 43 -7.865 6.739 7.521 1.00 0.00 C ATOM 609 O ILE A 43 -8.149 6.893 8.754 1.00 0.00 O ATOM 610 CB ILE A 43 -8.245 4.017 6.865 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.583 2.660 6.176 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.732 4.278 6.280 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.950 2.730 4.708 1.00 0.00 C ATOM 0 H ILE A 43 -6.221 5.051 8.881 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.834 5.547 5.984 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.396 3.825 7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.802 2.304 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.360 1.895 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.282 3.337 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.257 4.985 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.660 4.688 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.568 1.748 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.716 3.037 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.134 3.453 4.698 1.00 0.00 H new ATOM 625 N ILE A 44 -8.132 7.685 6.505 1.00 0.00 N ATOM 626 CA ILE A 44 -8.915 8.997 6.669 1.00 0.00 C ATOM 627 C ILE A 44 -10.560 8.721 6.473 1.00 0.00 C ATOM 628 O ILE A 44 -10.931 8.090 5.445 1.00 0.00 O ATOM 629 CB ILE A 44 -8.260 10.282 5.700 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.778 10.745 6.085 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.091 11.604 5.653 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.617 9.846 5.710 1.00 0.00 C ATOM 0 H ILE A 44 -7.804 7.549 5.549 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.794 9.361 7.689 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.282 9.783 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.605 11.718 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.747 10.893 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.583 12.330 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.081 11.397 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.189 12.008 6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.683 10.301 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.738 8.876 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.594 9.714 4.628 1.00 0.00 H new ATOM 644 N PRO A 45 -11.571 9.234 7.513 1.00 0.00 N ATOM 645 CA PRO A 45 -13.122 9.023 7.421 1.00 0.00 C ATOM 646 C PRO A 45 -13.917 9.716 6.166 1.00 0.00 C ATOM 647 O PRO A 45 -15.035 9.220 5.796 1.00 0.00 O ATOM 648 CB PRO A 45 -13.642 9.555 8.816 1.00 0.00 C ATOM 649 CG PRO A 45 -12.435 9.592 9.718 1.00 0.00 C ATOM 650 CD PRO A 45 -11.276 9.984 8.837 1.00 0.00 C ATOM 0 HA PRO A 45 -13.328 7.973 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.086 10.546 8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.413 8.900 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.573 10.311 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.263 8.620 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.230 11.063 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.322 9.681 9.268 1.00 0.00 H new ATOM 658 N GLY A 46 -13.271 10.823 5.536 1.00 0.00 N ATOM 659 CA GLY A 46 -13.821 11.581 4.355 1.00 0.00 C ATOM 660 C GLY A 46 -12.851 11.769 3.146 1.00 0.00 C ATOM 661 O GLY A 46 -12.861 12.877 2.544 1.00 0.00 O ATOM 0 H GLY A 46 -12.371 11.182 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.713 11.065 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.137 12.566 4.697 1.00 0.00 H new ATOM 665 N GLY A 47 -11.995 10.660 2.804 1.00 0.00 N ATOM 666 CA GLY A 47 -11.078 10.600 1.590 1.00 0.00 C ATOM 667 C GLY A 47 -11.667 9.909 0.302 1.00 0.00 C ATOM 668 O GLY A 47 -12.855 9.474 0.280 1.00 0.00 O ATOM 0 H GLY A 47 -11.948 9.816 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.788 11.618 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.168 10.073 1.875 1.00 0.00 H new ATOM 672 N ALA A 48 -10.761 9.835 -0.780 1.00 0.00 N ATOM 673 CA ALA A 48 -10.999 9.289 -2.196 1.00 0.00 C ATOM 674 C ALA A 48 -10.910 7.680 -2.349 1.00 0.00 C ATOM 675 O ALA A 48 -11.698 7.112 -3.116 1.00 0.00 O ATOM 676 CB ALA A 48 -10.066 10.050 -3.210 1.00 0.00 C ATOM 0 H ALA A 48 -9.804 10.172 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.043 9.491 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.232 9.665 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.295 11.115 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.024 9.897 -2.930 1.00 0.00 H new ATOM 682 N ALA A 49 -9.909 6.986 -1.575 1.00 0.00 N ATOM 683 CA ALA A 49 -9.651 5.454 -1.504 1.00 0.00 C ATOM 684 C ALA A 49 -10.615 4.622 -0.507 1.00 0.00 C ATOM 685 O ALA A 49 -10.853 3.376 -0.736 1.00 0.00 O ATOM 686 CB ALA A 49 -8.169 5.203 -1.186 1.00 0.00 C ATOM 0 H ALA A 49 -9.259 7.501 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.908 5.065 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.984 4.130 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.550 5.641 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.920 5.660 -0.228 1.00 0.00 H new ATOM 692 N ALA A 50 -11.183 5.367 0.600 1.00 0.00 N ATOM 693 CA ALA A 50 -12.149 4.853 1.674 1.00 0.00 C ATOM 694 C ALA A 50 -13.692 4.861 1.202 1.00 0.00 C ATOM 695 O ALA A 50 -14.429 3.874 1.492 1.00 0.00 O ATOM 696 CB ALA A 50 -11.941 5.662 3.006 1.00 0.00 C ATOM 0 H ALA A 50 -10.956 6.352 0.740 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.911 3.804 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.629 5.294 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.915 5.535 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.134 6.719 2.824 1.00 0.00 H new ATOM 702 N GLN A 51 -14.137 6.013 0.441 1.00 0.00 N ATOM 703 CA GLN A 51 -15.525 6.243 -0.174 1.00 0.00 C ATOM 704 C GLN A 51 -15.675 5.708 -1.689 1.00 0.00 C ATOM 705 O GLN A 51 -16.563 4.847 -1.931 1.00 0.00 O ATOM 706 CB GLN A 51 -16.018 7.775 -0.040 1.00 0.00 C ATOM 707 CG GLN A 51 -16.147 8.356 1.433 1.00 0.00 C ATOM 708 CD GLN A 51 -16.885 9.758 1.651 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.529 9.935 2.686 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.720 10.777 0.750 1.00 0.00 N ATOM 0 H GLN A 51 -13.509 6.795 0.256 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.193 5.626 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.324 8.406 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.989 7.864 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.668 7.612 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.140 8.447 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.185 10.621 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.132 11.692 0.934 1.00 0.00 H new ATOM 719 N ASP A 52 -14.765 6.241 -2.698 1.00 0.00 N ATOM 720 CA ASP A 52 -14.784 5.926 -4.207 1.00 0.00 C ATOM 721 C ASP A 52 -13.875 4.691 -4.715 1.00 0.00 C ATOM 722 O ASP A 52 -14.273 4.005 -5.710 1.00 0.00 O ATOM 723 CB ASP A 52 -14.485 7.245 -5.047 1.00 0.00 C ATOM 724 CG ASP A 52 -15.672 8.234 -5.207 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.820 9.140 -4.348 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.432 8.103 -6.199 1.00 0.00 O ATOM 0 H ASP A 52 -14.019 6.891 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.798 5.569 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.658 7.774 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.147 6.950 -6.040 1.00 0.00 H new ATOM 731 N GLY A 53 -12.684 4.392 -3.966 1.00 0.00 N ATOM 732 CA GLY A 53 -11.594 3.374 -4.354 1.00 0.00 C ATOM 733 C GLY A 53 -11.832 1.869 -4.003 1.00 0.00 C ATOM 734 O GLY A 53 -11.441 1.000 -4.808 1.00 0.00 O ATOM 0 H GLY A 53 -12.477 4.861 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.440 3.445 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.664 3.684 -3.878 1.00 0.00 H new ATOM 738 N ARG A 54 -12.489 1.575 -2.747 1.00 0.00 N ATOM 739 CA ARG A 54 -12.892 0.173 -2.102 1.00 0.00 C ATOM 740 C ARG A 54 -11.753 -0.541 -1.210 1.00 0.00 C ATOM 741 O ARG A 54 -11.879 -1.761 -0.807 1.00 0.00 O ATOM 742 CB ARG A 54 -13.715 -0.860 -3.106 1.00 0.00 C ATOM 743 CG ARG A 54 -15.242 -0.568 -3.404 1.00 0.00 C ATOM 744 CD ARG A 54 -16.225 -1.037 -2.273 1.00 0.00 C ATOM 745 NE ARG A 54 -17.677 -0.713 -2.582 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.831 -0.866 -1.763 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.811 -1.356 -0.478 1.00 0.00 N ATOM 748 NH2 ARG A 54 -20.004 -0.510 -2.267 1.00 0.00 N ATOM 0 H ARG A 54 -12.763 2.341 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.638 0.473 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.190 -0.883 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.646 -1.861 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.371 0.503 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.518 -1.061 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.120 -2.112 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.944 -0.562 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.850 -0.330 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.927 -1.638 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.680 -1.438 0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -20.060 -0.139 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.851 -0.607 -1.706 1.00 0.00 H new ATOM 762 N LEU A 55 -10.684 0.318 -0.784 1.00 0.00 N ATOM 763 CA LEU A 55 -9.501 -0.068 0.053 1.00 0.00 C ATOM 764 C LEU A 55 -9.759 0.123 1.629 1.00 0.00 C ATOM 765 O LEU A 55 -10.217 1.211 2.114 1.00 0.00 O ATOM 766 CB LEU A 55 -8.203 0.729 -0.515 1.00 0.00 C ATOM 767 CG LEU A 55 -6.774 0.643 0.173 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.816 -0.302 -0.546 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.236 2.032 0.243 1.00 0.00 C ATOM 0 H LEU A 55 -10.663 1.305 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.315 -1.138 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.070 0.410 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.473 1.785 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.878 0.217 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.858 -0.315 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.237 -1.308 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.668 0.040 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.252 2.018 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.153 2.441 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.909 2.654 0.833 1.00 0.00 H new ATOM 781 N ARG A 56 -9.464 -1.028 2.344 1.00 0.00 N ATOM 782 CA ARG A 56 -9.415 -1.216 3.854 1.00 0.00 C ATOM 783 C ARG A 56 -7.908 -1.455 4.332 1.00 0.00 C ATOM 784 O ARG A 56 -7.043 -1.963 3.544 1.00 0.00 O ATOM 785 CB ARG A 56 -10.386 -2.413 4.355 1.00 0.00 C ATOM 786 CG ARG A 56 -11.886 -2.161 4.331 1.00 0.00 C ATOM 787 CD ARG A 56 -12.547 -3.386 4.870 1.00 0.00 C ATOM 788 NE ARG A 56 -14.059 -3.260 4.984 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.022 -4.209 5.425 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.720 -5.483 5.843 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.298 -3.844 5.434 1.00 0.00 N ATOM 0 H ARG A 56 -9.242 -1.896 1.857 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.788 -0.301 4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.183 -3.290 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.105 -2.668 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.140 -1.290 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.226 -1.955 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.309 -4.232 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.134 -3.609 5.854 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.440 -2.357 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.751 -5.801 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.465 -6.110 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.563 -2.907 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.014 -4.501 5.745 1.00 0.00 H new ATOM 805 N VAL A 57 -7.617 -1.111 5.671 1.00 0.00 N ATOM 806 CA VAL A 57 -6.264 -1.226 6.441 1.00 0.00 C ATOM 807 C VAL A 57 -5.580 -2.731 6.481 1.00 0.00 C ATOM 808 O VAL A 57 -4.332 -2.876 6.616 1.00 0.00 O ATOM 809 CB VAL A 57 -6.453 -0.517 7.896 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.222 -1.193 9.041 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.369 0.390 8.323 1.00 0.00 C ATOM 0 H VAL A 57 -8.347 -0.729 6.272 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.503 -0.689 5.874 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.284 0.103 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.222 -0.541 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.249 -1.380 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.742 -2.138 9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.605 0.802 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.432 -0.164 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.269 1.202 7.603 1.00 0.00 H new ATOM 821 N ASN A 58 -6.517 -3.760 6.364 1.00 0.00 N ATOM 822 CA ASN A 58 -6.289 -5.216 6.334 1.00 0.00 C ATOM 823 C ASN A 58 -6.106 -5.797 4.779 1.00 0.00 C ATOM 824 O ASN A 58 -6.004 -7.056 4.596 1.00 0.00 O ATOM 825 CB ASN A 58 -7.497 -5.858 7.197 1.00 0.00 C ATOM 826 CG ASN A 58 -7.272 -7.294 7.781 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.749 -7.453 8.889 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.703 -8.323 7.042 1.00 0.00 N ATOM 0 H ASN A 58 -7.511 -3.544 6.285 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.341 -5.507 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.714 -5.186 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.386 -5.885 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.605 -9.277 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.130 -8.153 6.131 1.00 0.00 H new ATOM 835 N ASP A 59 -5.988 -4.814 3.667 1.00 0.00 N ATOM 836 CA ASP A 59 -5.791 -5.218 2.167 1.00 0.00 C ATOM 837 C ASP A 59 -4.282 -5.478 1.711 1.00 0.00 C ATOM 838 O ASP A 59 -4.031 -6.369 0.824 1.00 0.00 O ATOM 839 CB ASP A 59 -6.556 -4.262 1.160 1.00 0.00 C ATOM 840 CG ASP A 59 -8.052 -4.598 0.942 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.900 -4.110 1.718 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.362 -5.336 -0.025 1.00 0.00 O ATOM 0 H ASP A 59 -6.028 -3.805 3.813 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.263 -6.199 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.479 -3.238 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.048 -4.294 0.196 1.00 0.00 H new ATOM 847 N SER A 60 -3.248 -4.658 2.349 1.00 0.00 N ATOM 848 CA SER A 60 -1.669 -4.717 2.201 1.00 0.00 C ATOM 849 C SER A 60 -1.090 -4.831 0.722 1.00 0.00 C ATOM 850 O SER A 60 -1.376 -5.837 -0.004 1.00 0.00 O ATOM 851 CB SER A 60 -0.994 -5.759 3.197 1.00 0.00 C ATOM 852 OG SER A 60 -1.221 -5.413 4.559 1.00 0.00 O ATOM 0 H SER A 60 -3.518 -3.919 2.998 1.00 0.00 H new ATOM 0 HA SER A 60 -1.368 -3.715 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.391 -6.756 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.078 -5.801 3.007 1.00 0.00 H new ATOM 0 HG SER A 60 -0.398 -5.549 5.073 1.00 0.00 H new ATOM 858 N ILE A 61 -0.238 -3.784 0.307 1.00 0.00 N ATOM 859 CA ILE A 61 0.378 -3.648 -1.117 1.00 0.00 C ATOM 860 C ILE A 61 1.734 -4.538 -1.244 1.00 0.00 C ATOM 861 O ILE A 61 2.639 -4.473 -0.353 1.00 0.00 O ATOM 862 CB ILE A 61 0.623 -2.021 -1.632 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.692 -1.074 -1.389 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.992 -1.963 -3.207 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.475 0.487 -1.208 1.00 0.00 C ATOM 0 H ILE A 61 0.037 -3.026 0.932 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.367 -4.045 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 61 1.447 -1.642 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.366 -1.220 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.207 -1.443 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.142 -0.926 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.906 -2.529 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.177 -2.395 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.439 0.973 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.162 0.668 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.001 0.894 -2.100 1.00 0.00 H new ATOM 877 N LEU A 62 1.775 -5.375 -2.406 1.00 0.00 N ATOM 878 CA LEU A 62 3.004 -6.106 -2.919 1.00 0.00 C ATOM 879 C LEU A 62 3.749 -5.312 -4.045 1.00 0.00 C ATOM 880 O LEU A 62 5.005 -5.198 -3.985 1.00 0.00 O ATOM 881 CB LEU A 62 2.742 -7.685 -3.298 1.00 0.00 C ATOM 882 CG LEU A 62 1.681 -8.148 -4.395 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.050 -9.509 -4.871 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.270 -8.226 -3.847 1.00 0.00 C ATOM 0 H LEU A 62 0.951 -5.539 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 62 3.687 -6.145 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.704 -8.094 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.466 -8.185 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 62 1.700 -7.408 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.332 -9.839 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.048 -9.483 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.040 -10.203 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.410 -8.546 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.237 -8.944 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.034 -7.245 -3.482 1.00 0.00 H new ATOM 896 N PHE A 63 2.917 -4.748 -5.089 1.00 0.00 N ATOM 897 CA PHE A 63 3.468 -4.002 -6.323 1.00 0.00 C ATOM 898 C PHE A 63 2.793 -2.641 -6.599 1.00 0.00 C ATOM 899 O PHE A 63 1.540 -2.538 -6.559 1.00 0.00 O ATOM 900 CB PHE A 63 3.465 -4.956 -7.656 1.00 0.00 C ATOM 901 CG PHE A 63 4.503 -6.147 -7.670 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.256 -7.353 -7.002 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.700 -6.014 -8.328 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.165 -8.378 -7.009 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.613 -7.011 -8.354 1.00 0.00 C ATOM 906 CZ PHE A 63 6.360 -8.218 -7.701 1.00 0.00 C ATOM 0 H PHE A 63 1.899 -4.808 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 63 4.502 -3.763 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.465 -5.373 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.654 -4.328 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.326 -7.478 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.919 -5.088 -8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.956 -9.298 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.544 -6.872 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.084 -9.019 -7.733 1.00 0.00 H new ATOM 916 N VAL A 64 3.668 -1.552 -6.846 1.00 0.00 N ATOM 917 CA VAL A 64 3.200 -0.143 -7.238 1.00 0.00 C ATOM 918 C VAL A 64 3.689 0.350 -8.605 1.00 0.00 C ATOM 919 O VAL A 64 4.838 0.271 -8.900 1.00 0.00 O ATOM 920 CB VAL A 64 3.112 1.047 -6.125 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.834 1.010 -5.335 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.332 1.289 -5.194 1.00 0.00 C ATOM 0 H VAL A 64 4.682 -1.635 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 64 2.142 -0.390 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 64 3.128 1.923 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.831 1.824 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.986 1.122 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.758 0.057 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.113 2.112 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.535 0.386 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.206 1.538 -5.796 1.00 0.00 H new ATOM 932 N ASN A 65 2.689 0.907 -9.453 1.00 0.00 N ATOM 933 CA ASN A 65 2.774 1.435 -10.930 1.00 0.00 C ATOM 934 C ASN A 65 2.805 0.150 -11.955 1.00 0.00 C ATOM 935 O ASN A 65 1.811 -0.146 -12.642 1.00 0.00 O ATOM 936 CB ASN A 65 4.027 2.565 -11.200 1.00 0.00 C ATOM 937 CG ASN A 65 3.863 3.586 -12.386 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.254 3.304 -13.438 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.418 4.776 -12.197 1.00 0.00 N ATOM 0 H ASN A 65 1.737 1.007 -9.101 1.00 0.00 H new ATOM 0 HA ASN A 65 1.878 2.021 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.162 3.138 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.949 2.007 -11.366 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.353 5.490 -12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.909 4.977 -11.326 1.00 0.00 H new ATOM 946 N GLU A 66 4.047 -0.548 -11.977 1.00 0.00 N ATOM 947 CA GLU A 66 4.481 -1.868 -12.617 1.00 0.00 C ATOM 948 C GLU A 66 5.813 -2.406 -11.764 1.00 0.00 C ATOM 949 O GLU A 66 6.390 -3.494 -12.093 1.00 0.00 O ATOM 950 CB GLU A 66 4.816 -1.658 -14.217 1.00 0.00 C ATOM 951 CG GLU A 66 4.750 -2.944 -15.143 1.00 0.00 C ATOM 952 CD GLU A 66 5.075 -2.684 -16.633 1.00 0.00 C ATOM 953 OE1 GLU A 66 6.272 -2.789 -17.017 1.00 0.00 O ATOM 954 OE2 GLU A 66 4.128 -2.408 -17.418 1.00 0.00 O ATOM 0 H GLU A 66 4.841 -0.136 -11.487 1.00 0.00 H new ATOM 0 HA GLU A 66 3.684 -2.611 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.120 -0.919 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.816 -1.232 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.446 -3.689 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.751 -3.375 -15.073 1.00 0.00 H new ATOM 961 N VAL A 67 6.197 -1.628 -10.586 1.00 0.00 N ATOM 962 CA VAL A 67 7.465 -1.750 -9.761 1.00 0.00 C ATOM 963 C VAL A 67 7.365 -2.701 -8.520 1.00 0.00 C ATOM 964 O VAL A 67 6.279 -2.779 -7.837 1.00 0.00 O ATOM 965 CB VAL A 67 8.271 -0.288 -9.415 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.495 0.570 -10.603 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.827 0.578 -8.162 1.00 0.00 C ATOM 0 H VAL A 67 5.584 -0.899 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 67 8.126 -2.262 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 67 9.218 -0.709 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.012 1.481 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.102 0.032 -11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.536 0.829 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.449 1.471 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.783 0.870 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.944 -0.011 -7.253 1.00 0.00 H new ATOM 977 N ASP A 68 8.624 -3.215 -8.149 1.00 0.00 N ATOM 978 CA ASP A 68 8.914 -4.214 -7.094 1.00 0.00 C ATOM 979 C ASP A 68 9.108 -3.520 -5.667 1.00 0.00 C ATOM 980 O ASP A 68 10.164 -2.873 -5.371 1.00 0.00 O ATOM 981 CB ASP A 68 10.143 -5.222 -7.458 1.00 0.00 C ATOM 982 CG ASP A 68 10.063 -6.106 -8.731 1.00 0.00 C ATOM 983 OD1 ASP A 68 10.209 -5.564 -9.856 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.909 -7.337 -8.585 1.00 0.00 O ATOM 0 H ASP A 68 9.475 -2.907 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 68 8.031 -4.851 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.047 -4.618 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.280 -5.889 -6.607 1.00 0.00 H new ATOM 989 N VAL A 69 7.977 -3.611 -4.861 1.00 0.00 N ATOM 990 CA VAL A 69 7.815 -3.104 -3.395 1.00 0.00 C ATOM 991 C VAL A 69 7.872 -4.326 -2.307 1.00 0.00 C ATOM 992 O VAL A 69 7.505 -4.188 -1.110 1.00 0.00 O ATOM 993 CB VAL A 69 6.572 -2.003 -3.381 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.433 -2.013 -2.296 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.121 -0.613 -3.519 1.00 0.00 C ATOM 0 H VAL A 69 7.121 -4.047 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 69 8.666 -2.534 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 69 6.006 -2.375 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.735 -1.199 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.902 -2.964 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.872 -1.882 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.301 0.105 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.796 -0.404 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.666 -0.529 -4.459 1.00 0.00 H new ATOM 1005 N ARG A 70 8.464 -5.478 -2.818 1.00 0.00 N ATOM 1006 CA ARG A 70 8.856 -6.770 -2.061 1.00 0.00 C ATOM 1007 C ARG A 70 10.165 -6.591 -1.138 1.00 0.00 C ATOM 1008 O ARG A 70 10.268 -7.261 -0.067 1.00 0.00 O ATOM 1009 CB ARG A 70 9.044 -8.009 -3.051 1.00 0.00 C ATOM 1010 CG ARG A 70 7.763 -8.724 -3.541 1.00 0.00 C ATOM 1011 CD ARG A 70 8.120 -9.926 -4.425 1.00 0.00 C ATOM 1012 NE ARG A 70 6.899 -10.716 -4.867 1.00 0.00 N ATOM 1013 CZ ARG A 70 6.808 -11.834 -5.744 1.00 0.00 C ATOM 1014 NH1 ARG A 70 7.880 -12.401 -6.389 1.00 0.00 N ATOM 1015 NH2 ARG A 70 5.611 -12.363 -5.959 1.00 0.00 N ATOM 0 H ARG A 70 8.695 -5.546 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 70 8.018 -6.981 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.593 -7.661 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.673 -8.747 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.176 -9.057 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.142 -8.025 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.659 -9.576 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.795 -10.585 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 70 6.012 -10.398 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.817 -12.021 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.739 -13.202 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.789 -11.968 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.512 -13.165 -6.582 1.00 0.00 H new ATOM 1029 N GLU A 71 11.145 -5.575 -1.571 1.00 0.00 N ATOM 1030 CA GLU A 71 12.483 -5.227 -0.927 1.00 0.00 C ATOM 1031 C GLU A 71 12.946 -3.785 -1.376 1.00 0.00 C ATOM 1032 O GLU A 71 13.667 -3.585 -2.437 1.00 0.00 O ATOM 1033 CB GLU A 71 13.651 -6.315 -1.138 1.00 0.00 C ATOM 1034 CG GLU A 71 13.772 -7.452 -0.068 1.00 0.00 C ATOM 1035 CD GLU A 71 14.912 -8.468 -0.331 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.658 -9.500 -1.012 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.048 -8.247 0.170 1.00 0.00 O ATOM 0 H GLU A 71 10.968 -5.000 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 71 12.302 -5.238 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.506 -6.782 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.603 -5.785 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.927 -6.997 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.826 -7.991 -0.022 1.00 0.00 H new ATOM 1044 N VAL A 72 12.395 -2.750 -0.603 1.00 0.00 N ATOM 1045 CA VAL A 72 12.684 -1.236 -0.724 1.00 0.00 C ATOM 1046 C VAL A 72 12.611 -0.515 0.727 1.00 0.00 C ATOM 1047 O VAL A 72 12.096 -1.117 1.708 1.00 0.00 O ATOM 1048 CB VAL A 72 11.748 -0.383 -1.906 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.917 -0.819 -3.361 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.236 -0.104 -1.579 1.00 0.00 C ATOM 0 H VAL A 72 11.723 -2.948 0.138 1.00 0.00 H new ATOM 0 HA VAL A 72 13.703 -1.180 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 72 12.247 0.581 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.279 -0.209 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.957 -0.692 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.636 -1.867 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.778 0.436 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.715 -1.050 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.165 0.495 -0.671 1.00 0.00 H new ATOM 1060 N THR A 73 13.093 0.821 0.770 1.00 0.00 N ATOM 1061 CA THR A 73 12.875 1.853 1.919 1.00 0.00 C ATOM 1062 C THR A 73 11.414 2.524 1.807 1.00 0.00 C ATOM 1063 O THR A 73 10.778 2.439 0.711 1.00 0.00 O ATOM 1064 CB THR A 73 14.012 3.018 1.968 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.402 3.519 0.672 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.234 2.638 2.782 1.00 0.00 C ATOM 0 H THR A 73 13.645 1.211 0.006 1.00 0.00 H new ATOM 0 HA THR A 73 12.957 1.290 2.849 1.00 0.00 H new ATOM 0 HB THR A 73 13.512 3.837 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.084 4.214 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.949 3.461 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.936 2.430 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.696 1.750 2.351 1.00 0.00 H new ATOM 1074 N HIS A 74 10.880 3.178 2.965 1.00 0.00 N ATOM 1075 CA HIS A 74 9.478 3.956 3.019 1.00 0.00 C ATOM 1076 C HIS A 74 9.302 5.093 1.879 1.00 0.00 C ATOM 1077 O HIS A 74 8.363 5.008 1.001 1.00 0.00 O ATOM 1078 CB HIS A 74 9.072 4.478 4.509 1.00 0.00 C ATOM 1079 CG HIS A 74 9.976 5.541 5.267 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.707 6.910 5.271 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.080 5.393 6.048 1.00 0.00 C ATOM 1082 CE1 HIS A 74 10.610 7.545 6.023 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.448 6.646 6.501 1.00 0.00 N ATOM 0 H HIS A 74 11.373 3.191 3.858 1.00 0.00 H new ATOM 0 HA HIS A 74 8.743 3.191 2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.070 4.900 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.004 3.599 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.580 4.463 6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.647 8.609 6.207 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.243 6.844 7.109 1.00 0.00 H new ATOM 1092 N SER A 75 10.415 6.014 1.808 1.00 0.00 N ATOM 1093 CA SER A 75 10.630 7.165 0.783 1.00 0.00 C ATOM 1094 C SER A 75 10.601 6.691 -0.757 1.00 0.00 C ATOM 1095 O SER A 75 9.929 7.325 -1.572 1.00 0.00 O ATOM 1096 CB SER A 75 11.924 8.027 1.135 1.00 0.00 C ATOM 1097 OG SER A 75 13.132 7.247 1.238 1.00 0.00 O ATOM 0 H SER A 75 11.183 5.959 2.477 1.00 0.00 H new ATOM 0 HA SER A 75 9.763 7.817 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.060 8.791 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.757 8.547 2.078 1.00 0.00 H new ATOM 0 HG SER A 75 13.885 7.836 1.453 1.00 0.00 H new ATOM 1103 N ALA A 76 11.208 5.403 -1.013 1.00 0.00 N ATOM 1104 CA ALA A 76 11.284 4.618 -2.323 1.00 0.00 C ATOM 1105 C ALA A 76 9.868 3.988 -2.811 1.00 0.00 C ATOM 1106 O ALA A 76 9.675 3.762 -4.049 1.00 0.00 O ATOM 1107 CB ALA A 76 12.364 3.529 -2.163 1.00 0.00 C ATOM 0 H ALA A 76 11.666 4.894 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 76 11.550 5.316 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.439 2.953 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.324 3.998 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.093 2.866 -1.342 1.00 0.00 H new ATOM 1113 N ALA A 77 8.864 3.759 -1.774 1.00 0.00 N ATOM 1114 CA ALA A 77 7.421 3.296 -1.989 1.00 0.00 C ATOM 1115 C ALA A 77 6.381 4.523 -2.178 1.00 0.00 C ATOM 1116 O ALA A 77 5.362 4.374 -2.911 1.00 0.00 O ATOM 1117 CB ALA A 77 6.999 2.320 -0.860 1.00 0.00 C ATOM 0 H ALA A 77 9.077 3.902 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 77 7.385 2.754 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.971 1.997 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.657 1.451 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.072 2.825 0.103 1.00 0.00 H new ATOM 1123 N VAL A 78 6.716 5.766 -1.504 1.00 0.00 N ATOM 1124 CA VAL A 78 5.974 7.173 -1.629 1.00 0.00 C ATOM 1125 C VAL A 78 6.335 7.893 -3.070 1.00 0.00 C ATOM 1126 O VAL A 78 5.426 8.419 -3.728 1.00 0.00 O ATOM 1127 CB VAL A 78 6.298 8.173 -0.280 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.609 9.579 -0.273 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.872 7.518 1.033 1.00 0.00 C ATOM 0 H VAL A 78 7.507 5.816 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 78 4.898 7.002 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 78 7.376 8.310 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.891 10.118 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.929 10.145 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.526 9.454 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.096 8.188 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.801 7.316 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.414 6.582 1.165 1.00 0.00 H new ATOM 1139 N GLU A 79 7.694 7.800 -3.519 1.00 0.00 N ATOM 1140 CA GLU A 79 8.348 8.347 -4.842 1.00 0.00 C ATOM 1141 C GLU A 79 7.760 7.755 -6.169 1.00 0.00 C ATOM 1142 O GLU A 79 7.760 8.448 -7.167 1.00 0.00 O ATOM 1143 CB GLU A 79 9.918 8.217 -4.845 1.00 0.00 C ATOM 1144 CG GLU A 79 10.664 9.300 -4.018 1.00 0.00 C ATOM 1145 CD GLU A 79 12.210 9.215 -4.059 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.829 9.854 -4.954 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.802 8.537 -3.175 1.00 0.00 O ATOM 0 H GLU A 79 8.388 7.323 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 79 8.079 9.403 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.188 7.235 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.270 8.261 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.361 10.283 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.340 9.228 -2.980 1.00 0.00 H new ATOM 1154 N ALA A 80 7.168 6.443 -6.076 1.00 0.00 N ATOM 1155 CA ALA A 80 6.351 5.699 -7.129 1.00 0.00 C ATOM 1156 C ALA A 80 4.874 6.330 -7.312 1.00 0.00 C ATOM 1157 O ALA A 80 4.288 6.266 -8.436 1.00 0.00 O ATOM 1158 CB ALA A 80 6.304 4.195 -6.770 1.00 0.00 C ATOM 0 H ALA A 80 7.270 5.888 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 80 6.840 5.812 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.721 3.660 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.318 3.795 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.840 4.069 -5.792 1.00 0.00 H new ATOM 1164 N LEU A 81 4.333 6.992 -6.135 1.00 0.00 N ATOM 1165 CA LEU A 81 2.996 7.703 -5.997 1.00 0.00 C ATOM 1166 C LEU A 81 3.022 9.244 -6.292 1.00 0.00 C ATOM 1167 O LEU A 81 2.019 9.805 -6.808 1.00 0.00 O ATOM 1168 CB LEU A 81 2.254 7.318 -4.598 1.00 0.00 C ATOM 1169 CG LEU A 81 2.129 5.773 -4.115 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.285 5.650 -2.916 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.680 4.763 -5.195 1.00 0.00 C ATOM 0 H LEU A 81 4.862 7.020 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 81 2.380 7.314 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.768 7.860 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.242 7.718 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 81 3.156 5.493 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.223 4.603 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.721 6.231 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.285 6.025 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.631 3.764 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.696 5.044 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.396 4.767 -6.017 1.00 0.00 H new ATOM 1183 N LYS A 82 4.236 9.900 -5.973 1.00 0.00 N ATOM 1184 CA LYS A 82 4.618 11.354 -6.255 1.00 0.00 C ATOM 1185 C LYS A 82 5.179 11.580 -7.752 1.00 0.00 C ATOM 1186 O LYS A 82 5.052 12.723 -8.296 1.00 0.00 O ATOM 1187 CB LYS A 82 5.627 11.903 -5.162 1.00 0.00 C ATOM 1188 CG LYS A 82 5.015 12.167 -3.690 1.00 0.00 C ATOM 1189 CD LYS A 82 6.034 12.808 -2.630 1.00 0.00 C ATOM 1190 CE LYS A 82 6.215 14.402 -2.645 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.011 15.170 -2.148 1.00 0.00 N ATOM 0 H LYS A 82 4.989 9.402 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 82 3.699 11.936 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.449 11.193 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.053 12.837 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.153 12.827 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.649 11.221 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.708 12.516 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.013 12.357 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.077 14.664 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.440 14.721 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.209 16.190 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.189 14.952 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.806 14.897 -1.166 1.00 0.00 H new ATOM 1205 N GLU A 83 5.776 10.421 -8.421 1.00 0.00 N ATOM 1206 CA GLU A 83 6.283 10.416 -9.917 1.00 0.00 C ATOM 1207 C GLU A 83 5.212 10.420 -11.089 1.00 0.00 C ATOM 1208 O GLU A 83 5.358 11.233 -12.054 1.00 0.00 O ATOM 1209 CB GLU A 83 7.493 9.441 -10.198 1.00 0.00 C ATOM 1210 CG GLU A 83 7.286 7.846 -10.298 1.00 0.00 C ATOM 1211 CD GLU A 83 8.578 7.043 -10.563 1.00 0.00 C ATOM 1212 OE1 GLU A 83 8.913 6.813 -11.756 1.00 0.00 O ATOM 1213 OE2 GLU A 83 9.239 6.621 -9.577 1.00 0.00 O ATOM 0 H GLU A 83 5.905 9.524 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 83 6.665 11.436 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.946 9.761 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.229 9.616 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.839 7.492 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.573 7.635 -11.095 1.00 0.00 H new ATOM 1220 N ALA A 84 4.098 9.500 -10.954 1.00 0.00 N ATOM 1221 CA ALA A 84 2.999 9.235 -12.000 1.00 0.00 C ATOM 1222 C ALA A 84 2.069 10.519 -12.382 1.00 0.00 C ATOM 1223 O ALA A 84 1.427 10.564 -13.481 1.00 0.00 O ATOM 1224 CB ALA A 84 2.205 7.996 -11.574 1.00 0.00 C ATOM 0 H ALA A 84 3.968 8.942 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 84 3.493 9.037 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.422 7.796 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.874 7.138 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.753 8.172 -10.598 1.00 0.00 H new ATOM 1230 N GLY A 85 2.098 11.552 -11.408 1.00 0.00 N ATOM 1231 CA GLY A 85 1.564 12.960 -11.506 1.00 0.00 C ATOM 1232 C GLY A 85 0.078 13.287 -11.337 1.00 0.00 C ATOM 1233 O GLY A 85 -0.247 14.362 -10.769 1.00 0.00 O ATOM 0 H GLY A 85 2.523 11.386 -10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.100 13.550 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.858 13.338 -12.485 1.00 0.00 H new ATOM 1237 N SER A 86 -0.831 12.323 -11.822 1.00 0.00 N ATOM 1238 CA SER A 86 -2.351 12.488 -11.997 1.00 0.00 C ATOM 1239 C SER A 86 -3.110 11.094 -11.938 1.00 0.00 C ATOM 1240 O SER A 86 -4.274 11.067 -11.486 1.00 0.00 O ATOM 1241 CB SER A 86 -2.628 13.237 -13.397 1.00 0.00 C ATOM 1242 OG SER A 86 -3.988 13.666 -13.588 1.00 0.00 O ATOM 0 H SER A 86 -0.515 11.395 -12.105 1.00 0.00 H new ATOM 0 HA SER A 86 -2.739 13.086 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.974 14.106 -13.465 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.354 12.568 -14.213 1.00 0.00 H new ATOM 0 HG SER A 86 -4.072 14.111 -14.457 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.415 9.942 -12.438 1.00 0.00 N ATOM 1249 CA ILE A 87 -3.000 8.521 -12.550 1.00 0.00 C ATOM 1250 C ILE A 87 -2.000 7.499 -11.880 1.00 0.00 C ATOM 1251 O ILE A 87 -0.928 7.155 -12.469 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.509 8.103 -14.161 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.549 9.187 -14.871 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.997 6.589 -14.401 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.981 9.503 -14.240 1.00 0.00 C ATOM 0 H ILE A 87 -1.450 9.994 -12.764 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.936 8.476 -11.993 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.555 8.176 -14.684 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.018 10.136 -14.942 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.721 8.841 -15.890 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.286 6.461 -15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.184 5.903 -14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.852 6.376 -13.759 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.498 10.236 -14.859 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.569 8.587 -14.196 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.855 9.902 -13.234 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.429 7.037 -10.632 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.678 6.051 -9.739 1.00 0.00 C ATOM 1269 C VAL A 88 -2.411 4.637 -9.565 1.00 0.00 C ATOM 1270 O VAL A 88 -3.567 4.570 -9.062 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.159 6.754 -8.371 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.269 7.149 -8.355 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.014 7.123 -7.120 1.00 0.00 C ATOM 0 H VAL A 88 -3.310 7.342 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.769 5.768 -10.269 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.012 6.130 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.509 7.608 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.892 6.267 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.458 7.863 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.376 7.583 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.798 7.824 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.467 6.220 -6.710 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.657 3.538 -10.008 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.118 2.054 -10.028 1.00 0.00 C ATOM 1285 C ARG A 89 -1.349 1.089 -9.018 1.00 0.00 C ATOM 1286 O ARG A 89 -0.168 0.758 -9.220 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.364 1.421 -11.538 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.246 1.480 -12.605 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.742 0.770 -13.829 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.701 0.692 -14.938 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.795 0.116 -16.237 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.918 -0.501 -16.730 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.272 0.177 -17.025 1.00 0.00 N ATOM 0 H ARG A 89 -0.708 3.651 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.121 2.106 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.630 0.372 -11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.237 1.921 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.996 2.515 -12.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.337 1.008 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.050 -0.239 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.627 1.283 -14.205 1.00 0.00 H new ATOM 0 HE ARG A 89 0.200 1.117 -14.717 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.757 -0.568 -16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.913 -0.892 -17.672 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.126 0.627 -16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.238 -0.226 -17.961 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.113 0.677 -7.922 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.711 -0.241 -6.766 1.00 0.00 C ATOM 1309 C LEU A 90 -2.238 -1.742 -6.918 1.00 0.00 C ATOM 1310 O LEU A 90 -3.399 -1.976 -7.396 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.133 0.447 -5.286 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.633 0.853 -4.809 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.453 1.799 -5.650 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.393 -0.305 -4.261 1.00 0.00 C ATOM 0 H LEU A 90 -3.077 0.995 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.625 -0.330 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.759 -0.239 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.543 1.360 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.410 1.533 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.424 1.956 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.933 2.753 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.595 1.373 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.387 0.023 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.483 -1.076 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.866 -0.710 -3.397 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.326 -2.735 -6.482 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.563 -4.230 -6.456 1.00 0.00 C ATOM 1328 C TYR A 91 -1.457 -4.796 -4.989 1.00 0.00 C ATOM 1329 O TYR A 91 -0.307 -4.850 -4.381 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.589 -5.007 -7.520 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.941 -6.505 -7.949 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.203 -6.877 -8.469 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.002 -7.500 -7.796 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.491 -8.153 -8.804 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.270 -8.803 -8.142 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.520 -9.135 -8.646 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.791 -10.437 -9.006 1.00 0.00 O ATOM 0 H TYR A 91 -0.398 -2.489 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.584 -4.422 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.550 -4.406 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.417 -5.014 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.959 -6.117 -8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.974 -7.251 -7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.466 -8.408 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.486 -9.565 -8.022 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.004 -10.995 -8.832 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.696 -5.263 -4.495 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.993 -5.787 -3.048 1.00 0.00 C ATOM 1349 C VAL A 92 -3.207 -7.420 -2.918 1.00 0.00 C ATOM 1350 O VAL A 92 -3.603 -8.105 -3.922 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.216 -4.928 -2.258 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.907 -3.432 -2.056 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.639 -5.117 -2.879 1.00 0.00 C ATOM 0 H VAL A 92 -3.526 -5.289 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.062 -5.582 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.235 -5.389 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.741 -2.954 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.003 -3.325 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.758 -2.957 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.364 -4.532 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.631 -4.780 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.915 -6.171 -2.842 1.00 0.00 H new ATOM 1363 N MET A 93 -3.026 -7.927 -1.599 1.00 0.00 N ATOM 1364 CA MET A 93 -3.056 -9.424 -1.139 1.00 0.00 C ATOM 1365 C MET A 93 -4.120 -9.743 0.025 1.00 0.00 C ATOM 1366 O MET A 93 -4.018 -9.197 1.166 1.00 0.00 O ATOM 1367 CB MET A 93 -1.545 -10.059 -0.859 1.00 0.00 C ATOM 1368 CG MET A 93 -0.584 -9.373 0.202 1.00 0.00 C ATOM 1369 SD MET A 93 1.009 -10.205 0.338 1.00 0.00 S ATOM 1370 CE MET A 93 1.813 -9.194 1.578 1.00 0.00 C ATOM 0 H MET A 93 -2.853 -7.297 -0.815 1.00 0.00 H new ATOM 0 HA MET A 93 -3.441 -9.966 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.680 -11.096 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.017 -10.075 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.423 -8.332 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.071 -9.368 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.813 -9.583 1.772 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.886 -8.168 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.230 -9.215 2.499 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.135 -10.661 -0.333 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.276 -11.198 0.551 1.00 0.00 C ATOM 1382 C ARG A 94 -6.211 -12.784 0.629 1.00 0.00 C ATOM 1383 O ARG A 94 -5.795 -13.461 -0.352 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.746 -10.694 0.071 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.088 -9.173 0.304 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.535 -8.773 -0.129 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.650 -9.243 0.834 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.056 -9.102 0.731 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.696 -8.497 -0.321 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.805 -9.591 1.711 1.00 0.00 N ATOM 0 H ARG A 94 -5.175 -11.054 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.128 -10.785 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.847 -10.905 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.496 -11.294 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.959 -8.940 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.373 -8.562 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.586 -7.688 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.731 -9.185 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.324 -9.728 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.154 -8.113 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.714 -8.431 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.365 -10.052 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.821 -9.506 1.668 1.00 0.00 H new ATOM 1604 N SER B 8 2.688 9.475 5.633 1.00 0.00 N ATOM 1605 CA SER B 8 2.803 9.077 4.143 1.00 0.00 C ATOM 1606 C SER B 8 1.442 9.312 3.242 1.00 0.00 C ATOM 1607 O SER B 8 0.497 10.002 3.716 1.00 0.00 O ATOM 1608 CB SER B 8 3.372 7.593 4.070 1.00 0.00 C ATOM 1609 OG SER B 8 4.686 7.485 4.624 1.00 0.00 O ATOM 0 HA SER B 8 3.501 9.764 3.665 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.699 6.922 4.604 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.391 7.265 3.031 1.00 0.00 H new ATOM 0 HG SER B 8 4.933 6.540 4.699 1.00 0.00 H new ATOM 1615 N VAL B 9 1.416 8.744 1.916 1.00 0.00 N ATOM 1616 CA VAL B 9 0.313 8.928 0.840 1.00 0.00 C ATOM 1617 C VAL B 9 -0.363 7.499 0.540 1.00 0.00 C ATOM 1618 O VAL B 9 -1.562 7.370 0.774 1.00 0.00 O ATOM 1619 CB VAL B 9 0.876 9.720 -0.597 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.252 10.291 -1.482 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.859 10.912 -0.349 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.329 6.583 0.103 1.00 0.00 O ATOM 0 H VAL B 9 2.173 8.147 1.584 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.444 9.605 1.236 1.00 0.00 H new ATOM 0 HB VAL B 9 1.394 8.902 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.181 10.770 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.911 9.482 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.824 11.025 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.156 11.344 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.364 11.673 0.254 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.743 10.551 0.177 1.00 0.00 H new