USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-1) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -36:sc= 0.248 USER MOD Single : A 22 CYS SG : rot -100:sc= -0.514 USER MOD Single : A 26 HIS : no HE2:sc= -0.367 K(o=-0.37,f=-2.1) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 42 SER OG : rot -70:sc= -1.5! USER MOD Single : A 43 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.063) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.475 K(o=-0.47,f=-1.5) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 80 SER OG : rot -179:sc= 0 USER MOD Single : A 81 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 89 SER OG : rot -57:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.695 -12.290 -17.173 1.00 0.00 N ATOM 2 CA GLY A 1 -5.220 -13.226 -18.231 1.00 0.00 C ATOM 3 C GLY A 1 -4.185 -14.177 -17.644 1.00 0.00 C ATOM 4 O GLY A 1 -4.528 -15.123 -16.936 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.402 -11.641 -17.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.125 -12.833 -16.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.890 -11.742 -16.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.060 -13.791 -18.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.786 -12.665 -19.059 1.00 0.00 H new ATOM 10 N HIS A 2 -2.915 -13.920 -17.942 1.00 0.00 N ATOM 11 CA HIS A 2 -1.831 -14.760 -17.438 1.00 0.00 C ATOM 12 C HIS A 2 -0.541 -13.957 -17.322 1.00 0.00 C ATOM 13 O HIS A 2 -0.380 -12.925 -17.971 1.00 0.00 O ATOM 14 CB HIS A 2 -1.612 -15.946 -18.378 1.00 0.00 C ATOM 15 CG HIS A 2 -1.338 -15.442 -19.768 1.00 0.00 C ATOM 16 ND1 HIS A 2 -2.346 -14.980 -20.599 1.00 0.00 N ATOM 17 CD2 HIS A 2 -0.174 -15.318 -20.486 1.00 0.00 C ATOM 18 CE1 HIS A 2 -1.777 -14.606 -21.760 1.00 0.00 C ATOM 19 NE2 HIS A 2 -0.454 -14.790 -21.744 1.00 0.00 N ATOM 0 H HIS A 2 -2.611 -13.141 -18.527 1.00 0.00 H new ATOM 0 HA HIS A 2 -2.108 -15.125 -16.449 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.776 -16.551 -18.028 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.492 -16.589 -18.380 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.809 -15.589 -20.129 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -2.323 -14.206 -22.602 1.00 0.00 H new ATOM 0 HE2 HIS A 2 0.209 -14.587 -22.492 1.00 0.00 H new ATOM 28 N MET A 3 0.376 -14.440 -16.490 1.00 0.00 N ATOM 29 CA MET A 3 1.652 -13.761 -16.290 1.00 0.00 C ATOM 30 C MET A 3 1.449 -12.253 -16.186 1.00 0.00 C ATOM 31 O MET A 3 1.923 -11.493 -17.032 1.00 0.00 O ATOM 32 CB MET A 3 2.591 -14.067 -17.458 1.00 0.00 C ATOM 33 CG MET A 3 4.014 -13.641 -17.096 1.00 0.00 C ATOM 34 SD MET A 3 5.121 -13.996 -18.484 1.00 0.00 S ATOM 35 CE MET A 3 5.562 -15.681 -17.997 1.00 0.00 C ATOM 0 H MET A 3 0.261 -15.295 -15.946 1.00 0.00 H new ATOM 0 HA MET A 3 2.092 -14.122 -15.360 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.567 -15.132 -17.688 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.259 -13.540 -18.353 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.038 -12.577 -16.861 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.349 -14.172 -16.205 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.252 -16.102 -18.728 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.038 -15.664 -17.017 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.662 -16.294 -17.953 1.00 0.00 H new ATOM 45 N SER A 4 0.737 -11.826 -15.146 1.00 0.00 N ATOM 46 CA SER A 4 0.470 -10.403 -14.938 1.00 0.00 C ATOM 47 C SER A 4 0.410 -10.081 -13.451 1.00 0.00 C ATOM 48 O SER A 4 -0.086 -10.875 -12.651 1.00 0.00 O ATOM 49 CB SER A 4 -0.857 -10.024 -15.596 1.00 0.00 C ATOM 50 OG SER A 4 -1.070 -8.626 -15.450 1.00 0.00 O ATOM 0 H SER A 4 0.336 -12.440 -14.437 1.00 0.00 H new ATOM 0 HA SER A 4 1.280 -9.829 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.843 -10.293 -16.652 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.675 -10.578 -15.137 1.00 0.00 H new ATOM 0 HG SER A 4 -1.919 -8.379 -15.872 1.00 0.00 H new ATOM 56 N ASP A 5 0.916 -8.907 -13.088 1.00 0.00 N ATOM 57 CA ASP A 5 0.911 -8.483 -11.693 1.00 0.00 C ATOM 58 C ASP A 5 1.477 -9.576 -10.799 1.00 0.00 C ATOM 59 O ASP A 5 0.874 -9.926 -9.787 1.00 0.00 O ATOM 60 CB ASP A 5 -0.514 -8.151 -11.247 1.00 0.00 C ATOM 61 CG ASP A 5 -0.483 -7.345 -9.952 1.00 0.00 C ATOM 62 OD1 ASP A 5 0.454 -6.584 -9.770 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.400 -7.498 -9.161 1.00 0.00 O ATOM 0 H ASP A 5 1.332 -8.237 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 5 1.535 -7.594 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.024 -7.584 -12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.081 -9.070 -11.099 1.00 0.00 H new ATOM 68 N LEU A 6 2.627 -10.118 -11.187 1.00 0.00 N ATOM 69 CA LEU A 6 3.266 -11.176 -10.425 1.00 0.00 C ATOM 70 C LEU A 6 2.442 -12.460 -10.495 1.00 0.00 C ATOM 71 O LEU A 6 2.073 -12.913 -11.579 1.00 0.00 O ATOM 72 CB LEU A 6 3.434 -10.743 -8.961 1.00 0.00 C ATOM 73 CG LEU A 6 4.482 -11.634 -8.269 1.00 0.00 C ATOM 74 CD1 LEU A 6 5.880 -11.040 -8.464 1.00 0.00 C ATOM 75 CD2 LEU A 6 4.166 -11.707 -6.777 1.00 0.00 C ATOM 0 H LEU A 6 3.134 -9.839 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 6 4.248 -11.368 -10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.744 -9.699 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.480 -10.816 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 6 4.454 -12.633 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.617 -11.675 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.105 -10.981 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.915 -10.041 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.904 -12.336 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.196 -10.705 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.172 -12.132 -6.636 1.00 0.00 H new ATOM 87 N SER A 7 2.160 -13.045 -9.332 1.00 0.00 N ATOM 88 CA SER A 7 1.382 -14.283 -9.256 1.00 0.00 C ATOM 89 C SER A 7 0.173 -14.087 -8.355 1.00 0.00 C ATOM 90 O SER A 7 0.146 -13.174 -7.528 1.00 0.00 O ATOM 91 CB SER A 7 2.250 -15.413 -8.705 1.00 0.00 C ATOM 92 OG SER A 7 3.270 -15.720 -9.645 1.00 0.00 O ATOM 0 H SER A 7 2.459 -12.682 -8.427 1.00 0.00 H new ATOM 0 HA SER A 7 1.043 -14.544 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.693 -15.117 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.640 -16.295 -8.512 1.00 0.00 H new ATOM 0 HG SER A 7 3.831 -16.444 -9.295 1.00 0.00 H new ATOM 98 N THR A 8 -0.829 -14.938 -8.524 1.00 0.00 N ATOM 99 CA THR A 8 -2.042 -14.840 -7.724 1.00 0.00 C ATOM 100 C THR A 8 -1.742 -15.141 -6.261 1.00 0.00 C ATOM 101 O THR A 8 -2.654 -15.247 -5.441 1.00 0.00 O ATOM 102 CB THR A 8 -3.090 -15.830 -8.242 1.00 0.00 C ATOM 103 OG1 THR A 8 -3.234 -15.669 -9.647 1.00 0.00 O ATOM 104 CG2 THR A 8 -4.445 -15.587 -7.559 1.00 0.00 C ATOM 0 H THR A 8 -0.827 -15.699 -9.203 1.00 0.00 H new ATOM 0 HA THR A 8 -2.428 -13.824 -7.805 1.00 0.00 H new ATOM 0 HB THR A 8 -2.760 -16.844 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.903 -16.302 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.177 -16.299 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.338 -15.717 -6.482 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.782 -14.572 -7.771 1.00 0.00 H new ATOM 112 N ALA A 9 -0.458 -15.272 -5.933 1.00 0.00 N ATOM 113 CA ALA A 9 -0.048 -15.554 -4.560 1.00 0.00 C ATOM 114 C ALA A 9 1.213 -14.773 -4.208 1.00 0.00 C ATOM 115 O ALA A 9 2.294 -15.346 -4.076 1.00 0.00 O ATOM 116 CB ALA A 9 0.207 -17.047 -4.388 1.00 0.00 C ATOM 0 H ALA A 9 0.313 -15.188 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.850 -15.246 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.512 -17.248 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.706 -17.600 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.997 -17.362 -5.070 1.00 0.00 H new ATOM 122 N PRO A 10 1.087 -13.483 -4.044 1.00 0.00 N ATOM 123 CA PRO A 10 2.229 -12.589 -3.684 1.00 0.00 C ATOM 124 C PRO A 10 2.756 -12.886 -2.281 1.00 0.00 C ATOM 125 O PRO A 10 2.072 -13.512 -1.471 1.00 0.00 O ATOM 126 CB PRO A 10 1.637 -11.164 -3.768 1.00 0.00 C ATOM 127 CG PRO A 10 0.335 -11.312 -4.494 1.00 0.00 C ATOM 128 CD PRO A 10 -0.160 -12.721 -4.188 1.00 0.00 C ATOM 0 HA PRO A 10 3.083 -12.727 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.486 -10.743 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.309 -10.491 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.385 -10.565 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.468 -11.170 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.759 -12.750 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.783 -13.114 -4.992 1.00 0.00 H new ATOM 136 N THR A 11 3.974 -12.428 -2.000 1.00 0.00 N ATOM 137 CA THR A 11 4.588 -12.644 -0.692 1.00 0.00 C ATOM 138 C THR A 11 4.539 -11.363 0.135 1.00 0.00 C ATOM 139 O THR A 11 4.470 -10.259 -0.407 1.00 0.00 O ATOM 140 CB THR A 11 6.043 -13.083 -0.870 1.00 0.00 C ATOM 141 OG1 THR A 11 6.111 -14.091 -1.868 1.00 0.00 O ATOM 142 CG2 THR A 11 6.574 -13.637 0.453 1.00 0.00 C ATOM 0 H THR A 11 4.554 -11.907 -2.658 1.00 0.00 H new ATOM 0 HA THR A 11 4.033 -13.424 -0.170 1.00 0.00 H new ATOM 0 HB THR A 11 6.648 -12.228 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.042 -14.373 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.610 -13.950 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.519 -12.864 1.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.971 -14.493 0.757 1.00 0.00 H new ATOM 150 N LEU A 12 4.546 -11.520 1.451 1.00 0.00 N ATOM 151 CA LEU A 12 4.467 -10.375 2.345 1.00 0.00 C ATOM 152 C LEU A 12 5.517 -9.340 1.963 1.00 0.00 C ATOM 153 O LEU A 12 5.243 -8.139 1.948 1.00 0.00 O ATOM 154 CB LEU A 12 4.720 -10.831 3.790 1.00 0.00 C ATOM 155 CG LEU A 12 3.472 -11.528 4.343 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.258 -12.865 3.614 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.655 -11.787 5.841 1.00 0.00 C ATOM 0 H LEU A 12 4.605 -12.423 1.921 1.00 0.00 H new ATOM 0 HA LEU A 12 3.474 -9.933 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.571 -11.511 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.974 -9.973 4.412 1.00 0.00 H new ATOM 0 HG LEU A 12 2.603 -10.889 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.370 -13.357 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.126 -12.681 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.126 -13.506 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.768 -12.283 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.526 -12.424 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.802 -10.839 6.359 1.00 0.00 H new ATOM 169 N ASP A 13 6.714 -9.812 1.649 1.00 0.00 N ATOM 170 CA ASP A 13 7.787 -8.912 1.266 1.00 0.00 C ATOM 171 C ASP A 13 7.493 -8.269 -0.080 1.00 0.00 C ATOM 172 O ASP A 13 7.787 -7.098 -0.278 1.00 0.00 O ATOM 173 CB ASP A 13 9.114 -9.658 1.177 1.00 0.00 C ATOM 174 CG ASP A 13 9.233 -10.637 2.342 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.440 -10.179 3.455 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.106 -11.828 2.109 1.00 0.00 O ATOM 0 H ASP A 13 6.964 -10.801 1.652 1.00 0.00 H new ATOM 0 HA ASP A 13 7.857 -8.139 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.178 -10.195 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.942 -8.950 1.198 1.00 0.00 H new ATOM 181 N SER A 14 6.915 -9.042 -1.001 1.00 0.00 N ATOM 182 CA SER A 14 6.598 -8.523 -2.327 1.00 0.00 C ATOM 183 C SER A 14 5.529 -7.443 -2.238 1.00 0.00 C ATOM 184 O SER A 14 5.577 -6.427 -2.948 1.00 0.00 O ATOM 185 CB SER A 14 6.117 -9.643 -3.228 1.00 0.00 C ATOM 186 OG SER A 14 4.900 -10.176 -2.718 1.00 0.00 O ATOM 0 H SER A 14 6.660 -10.019 -0.853 1.00 0.00 H new ATOM 0 HA SER A 14 7.504 -8.088 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.966 -9.269 -4.241 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.873 -10.426 -3.287 1.00 0.00 H new ATOM 0 HG SER A 14 4.925 -10.170 -1.738 1.00 0.00 H new ATOM 192 N LEU A 15 4.544 -7.656 -1.383 1.00 0.00 N ATOM 193 CA LEU A 15 3.489 -6.675 -1.239 1.00 0.00 C ATOM 194 C LEU A 15 4.013 -5.462 -0.478 1.00 0.00 C ATOM 195 O LEU A 15 4.101 -4.360 -1.019 1.00 0.00 O ATOM 196 CB LEU A 15 2.305 -7.288 -0.491 1.00 0.00 C ATOM 197 CG LEU A 15 1.807 -8.507 -1.264 1.00 0.00 C ATOM 198 CD1 LEU A 15 0.751 -9.229 -0.427 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.208 -8.061 -2.614 1.00 0.00 C ATOM 0 H LEU A 15 4.454 -8.482 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 15 3.157 -6.360 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.605 -7.577 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.505 -6.555 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 15 2.637 -9.185 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.389 -10.101 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.191 -9.548 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.081 -8.553 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.854 -8.935 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.374 -7.382 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.972 -7.550 -3.200 1.00 0.00 H new ATOM 211 N ARG A 16 4.346 -5.675 0.792 1.00 0.00 N ATOM 212 CA ARG A 16 4.840 -4.593 1.640 1.00 0.00 C ATOM 213 C ARG A 16 5.738 -3.648 0.839 1.00 0.00 C ATOM 214 O ARG A 16 5.528 -2.431 0.846 1.00 0.00 O ATOM 215 CB ARG A 16 5.641 -5.184 2.801 1.00 0.00 C ATOM 216 CG ARG A 16 6.224 -4.055 3.690 1.00 0.00 C ATOM 217 CD ARG A 16 7.683 -3.751 3.307 1.00 0.00 C ATOM 218 NE ARG A 16 8.307 -2.938 4.335 1.00 0.00 N ATOM 219 CZ ARG A 16 9.575 -2.571 4.227 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.271 -2.941 3.187 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.121 -1.842 5.157 1.00 0.00 N ATOM 0 H ARG A 16 4.284 -6.582 1.255 1.00 0.00 H new ATOM 0 HA ARG A 16 3.987 -4.031 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.001 -5.832 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.450 -5.804 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.620 -3.154 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.173 -4.349 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.236 -4.682 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.715 -3.230 2.350 1.00 0.00 H new ATOM 0 HE ARG A 16 7.764 -2.647 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.838 -3.511 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.248 -2.660 3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.572 -1.554 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.097 -1.559 5.075 1.00 0.00 H new ATOM 235 N VAL A 17 6.726 -4.214 0.141 1.00 0.00 N ATOM 236 CA VAL A 17 7.637 -3.405 -0.668 1.00 0.00 C ATOM 237 C VAL A 17 6.841 -2.649 -1.735 1.00 0.00 C ATOM 238 O VAL A 17 7.128 -1.492 -2.038 1.00 0.00 O ATOM 239 CB VAL A 17 8.681 -4.311 -1.333 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.478 -5.074 -0.249 1.00 0.00 C ATOM 241 CG2 VAL A 17 7.960 -5.300 -2.236 1.00 0.00 C ATOM 0 H VAL A 17 6.913 -5.216 0.120 1.00 0.00 H new ATOM 0 HA VAL A 17 8.149 -2.685 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 17 9.376 -3.710 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.218 -5.716 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.983 -4.360 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.795 -5.684 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.689 -5.952 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.272 -5.901 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.401 -4.757 -2.998 1.00 0.00 H new ATOM 251 N TRP A 18 5.836 -3.313 -2.309 1.00 0.00 N ATOM 252 CA TRP A 18 5.013 -2.664 -3.330 1.00 0.00 C ATOM 253 C TRP A 18 4.350 -1.398 -2.759 1.00 0.00 C ATOM 254 O TRP A 18 4.394 -0.332 -3.370 1.00 0.00 O ATOM 255 CB TRP A 18 3.935 -3.657 -3.848 1.00 0.00 C ATOM 256 CG TRP A 18 2.554 -3.206 -3.444 1.00 0.00 C ATOM 257 CD1 TRP A 18 1.781 -3.773 -2.483 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.792 -2.070 -3.943 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.609 -3.078 -2.380 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.567 -2.020 -3.242 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.030 -1.082 -4.919 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.380 -1.051 -3.494 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.069 -0.098 -5.172 1.00 0.00 C ATOM 264 CH2 TRP A 18 -0.130 -0.085 -4.451 1.00 0.00 C ATOM 0 H TRP A 18 5.577 -4.275 -2.092 1.00 0.00 H new ATOM 0 HA TRP A 18 5.650 -2.370 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.995 -3.732 -4.934 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.129 -4.652 -3.448 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.050 -4.637 -1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.144 -3.321 -1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.957 -1.085 -5.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.311 -1.046 -2.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.253 0.654 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.864 0.684 -4.643 1.00 0.00 H new ATOM 275 N LEU A 19 3.726 -1.537 -1.592 1.00 0.00 N ATOM 276 CA LEU A 19 3.042 -0.409 -0.961 1.00 0.00 C ATOM 277 C LEU A 19 3.996 0.754 -0.748 1.00 0.00 C ATOM 278 O LEU A 19 3.765 1.865 -1.236 1.00 0.00 O ATOM 279 CB LEU A 19 2.465 -0.869 0.400 1.00 0.00 C ATOM 280 CG LEU A 19 0.963 -1.211 0.275 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.600 -2.354 1.213 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.123 0.026 0.610 1.00 0.00 C ATOM 0 H LEU A 19 3.679 -2.410 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 19 2.238 -0.072 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.013 -1.742 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.603 -0.083 1.142 1.00 0.00 H new ATOM 0 HG LEU A 19 0.756 -1.522 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.461 -2.583 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.187 -3.236 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.813 -2.062 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.936 -0.218 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.337 0.346 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.369 0.831 -0.082 1.00 0.00 H new ATOM 294 N VAL A 20 5.065 0.510 -0.024 1.00 0.00 N ATOM 295 CA VAL A 20 6.020 1.567 0.236 1.00 0.00 C ATOM 296 C VAL A 20 6.666 2.050 -1.054 1.00 0.00 C ATOM 297 O VAL A 20 6.699 3.248 -1.331 1.00 0.00 O ATOM 298 CB VAL A 20 7.087 1.046 1.199 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.763 -0.190 0.606 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.122 2.131 1.432 1.00 0.00 C ATOM 0 H VAL A 20 5.294 -0.394 0.390 1.00 0.00 H new ATOM 0 HA VAL A 20 5.499 2.414 0.683 1.00 0.00 H new ATOM 0 HB VAL A 20 6.620 0.775 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.522 -0.556 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.018 -0.968 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.232 0.072 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.885 1.764 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.586 2.401 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.639 3.008 1.862 1.00 0.00 H new ATOM 310 N ASP A 21 7.191 1.118 -1.832 1.00 0.00 N ATOM 311 CA ASP A 21 7.854 1.477 -3.077 1.00 0.00 C ATOM 312 C ASP A 21 6.930 2.312 -3.956 1.00 0.00 C ATOM 313 O ASP A 21 7.385 3.155 -4.743 1.00 0.00 O ATOM 314 CB ASP A 21 8.267 0.201 -3.820 1.00 0.00 C ATOM 315 CG ASP A 21 9.023 0.553 -5.096 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.056 1.193 -4.991 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.559 0.172 -6.159 1.00 0.00 O ATOM 0 H ASP A 21 7.173 0.119 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 21 8.739 2.070 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.894 -0.416 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.383 -0.388 -4.064 1.00 0.00 H new ATOM 322 N CYS A 22 5.632 2.095 -3.791 1.00 0.00 N ATOM 323 CA CYS A 22 4.645 2.843 -4.556 1.00 0.00 C ATOM 324 C CYS A 22 4.629 4.297 -4.111 1.00 0.00 C ATOM 325 O CYS A 22 4.626 5.214 -4.940 1.00 0.00 O ATOM 326 CB CYS A 22 3.254 2.230 -4.379 1.00 0.00 C ATOM 327 SG CYS A 22 2.050 3.166 -5.351 1.00 0.00 S ATOM 0 H CYS A 22 5.241 1.414 -3.140 1.00 0.00 H new ATOM 0 HA CYS A 22 4.918 2.796 -5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.262 1.188 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.973 2.240 -3.326 1.00 0.00 H new ATOM 0 HG CYS A 22 1.406 3.984 -4.573 1.00 0.00 H new ATOM 333 N VAL A 23 4.629 4.515 -2.799 1.00 0.00 N ATOM 334 CA VAL A 23 4.619 5.882 -2.289 1.00 0.00 C ATOM 335 C VAL A 23 5.912 6.601 -2.676 1.00 0.00 C ATOM 336 O VAL A 23 5.870 7.687 -3.253 1.00 0.00 O ATOM 337 CB VAL A 23 4.485 5.865 -0.763 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.356 7.293 -0.217 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.247 5.074 -0.356 1.00 0.00 C ATOM 0 H VAL A 23 4.636 3.785 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 23 3.772 6.411 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 23 5.379 5.397 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.262 7.260 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.242 7.867 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.472 7.767 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.160 5.068 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.360 5.538 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.334 4.050 -0.719 1.00 0.00 H new ATOM 349 N ALA A 24 7.059 6.012 -2.331 1.00 0.00 N ATOM 350 CA ALA A 24 8.344 6.638 -2.624 1.00 0.00 C ATOM 351 C ALA A 24 8.383 7.129 -4.061 1.00 0.00 C ATOM 352 O ALA A 24 8.634 8.308 -4.318 1.00 0.00 O ATOM 353 CB ALA A 24 9.466 5.610 -2.389 1.00 0.00 C ATOM 0 H ALA A 24 7.122 5.113 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 24 8.484 7.496 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.431 6.069 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.446 5.280 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.317 4.752 -3.045 1.00 0.00 H new ATOM 359 N GLY A 25 8.146 6.218 -4.991 1.00 0.00 N ATOM 360 CA GLY A 25 8.176 6.580 -6.399 1.00 0.00 C ATOM 361 C GLY A 25 7.203 7.717 -6.688 1.00 0.00 C ATOM 362 O GLY A 25 7.494 8.608 -7.485 1.00 0.00 O ATOM 0 H GLY A 25 7.934 5.238 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.186 6.879 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.919 5.713 -7.007 1.00 0.00 H new ATOM 366 N HIS A 26 6.052 7.683 -6.031 1.00 0.00 N ATOM 367 CA HIS A 26 5.044 8.720 -6.224 1.00 0.00 C ATOM 368 C HIS A 26 5.435 10.032 -5.545 1.00 0.00 C ATOM 369 O HIS A 26 5.069 11.112 -6.007 1.00 0.00 O ATOM 370 CB HIS A 26 3.702 8.239 -5.667 1.00 0.00 C ATOM 371 CG HIS A 26 2.740 9.394 -5.560 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.486 10.249 -6.622 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.993 9.863 -4.512 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.617 11.181 -6.193 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.284 10.993 -4.912 1.00 0.00 N ATOM 0 H HIS A 26 5.793 6.956 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 26 4.964 8.909 -7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.286 7.468 -6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.848 7.786 -4.687 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.886 10.183 -7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.959 9.424 -3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.235 11.983 -6.808 1.00 0.00 H new ATOM 384 N LEU A 27 6.135 9.934 -4.429 1.00 0.00 N ATOM 385 CA LEU A 27 6.527 11.115 -3.665 1.00 0.00 C ATOM 386 C LEU A 27 8.028 11.303 -3.693 1.00 0.00 C ATOM 387 O LEU A 27 8.575 11.968 -2.823 1.00 0.00 O ATOM 388 CB LEU A 27 6.055 10.911 -2.209 1.00 0.00 C ATOM 389 CG LEU A 27 4.602 11.406 -2.049 1.00 0.00 C ATOM 390 CD1 LEU A 27 3.903 10.639 -0.921 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.605 12.905 -1.727 1.00 0.00 C ATOM 0 H LEU A 27 6.446 9.050 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 27 6.072 12.004 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.120 9.856 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.710 11.453 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 27 4.063 11.233 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.879 10.997 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.893 9.575 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.439 10.799 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.579 13.255 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.151 13.077 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.087 13.450 -2.538 1.00 0.00 H new ATOM 403 N GLY A 28 8.700 10.760 -4.695 1.00 0.00 N ATOM 404 CA GLY A 28 10.149 10.903 -4.797 1.00 0.00 C ATOM 405 C GLY A 28 10.861 10.521 -3.499 1.00 0.00 C ATOM 406 O GLY A 28 12.089 10.485 -3.445 1.00 0.00 O ATOM 0 H GLY A 28 8.272 10.219 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.518 10.277 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.393 11.934 -5.053 1.00 0.00 H new ATOM 410 N LEU A 29 10.089 10.273 -2.453 1.00 0.00 N ATOM 411 CA LEU A 29 10.638 9.936 -1.167 1.00 0.00 C ATOM 412 C LEU A 29 11.245 8.554 -1.221 1.00 0.00 C ATOM 413 O LEU A 29 10.965 7.777 -2.127 1.00 0.00 O ATOM 414 CB LEU A 29 9.537 10.008 -0.108 1.00 0.00 C ATOM 415 CG LEU A 29 9.227 11.455 0.277 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.014 11.488 1.224 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.450 12.105 0.958 1.00 0.00 C ATOM 0 H LEU A 29 9.070 10.302 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 29 11.422 10.646 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.634 9.529 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.845 9.452 0.778 1.00 0.00 H new ATOM 0 HG LEU A 29 8.995 12.020 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.794 12.520 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.149 11.053 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.239 10.914 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.213 13.135 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.705 11.546 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.297 12.094 0.272 1.00 0.00 H new ATOM 429 N ASP A 30 12.090 8.264 -0.251 1.00 0.00 N ATOM 430 CA ASP A 30 12.764 6.973 -0.190 1.00 0.00 C ATOM 431 C ASP A 30 11.997 6.003 0.693 1.00 0.00 C ATOM 432 O ASP A 30 11.537 6.362 1.777 1.00 0.00 O ATOM 433 CB ASP A 30 14.178 7.156 0.359 1.00 0.00 C ATOM 434 CG ASP A 30 15.048 7.871 -0.670 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.657 7.907 -1.825 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.096 8.365 -0.288 1.00 0.00 O ATOM 0 H ASP A 30 12.329 8.902 0.508 1.00 0.00 H new ATOM 0 HA ASP A 30 12.811 6.561 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.146 7.732 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.611 6.186 0.602 1.00 0.00 H new ATOM 441 N ALA A 31 11.864 4.772 0.217 1.00 0.00 N ATOM 442 CA ALA A 31 11.147 3.750 0.962 1.00 0.00 C ATOM 443 C ALA A 31 11.691 3.624 2.375 1.00 0.00 C ATOM 444 O ALA A 31 10.928 3.427 3.324 1.00 0.00 O ATOM 445 CB ALA A 31 11.273 2.402 0.255 1.00 0.00 C ATOM 0 H ALA A 31 12.242 4.460 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 31 10.099 4.045 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.733 1.643 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.852 2.476 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.325 2.124 0.187 1.00 0.00 H new ATOM 451 N ALA A 32 13.005 3.769 2.524 1.00 0.00 N ATOM 452 CA ALA A 32 13.632 3.666 3.833 1.00 0.00 C ATOM 453 C ALA A 32 13.182 4.792 4.753 1.00 0.00 C ATOM 454 O ALA A 32 13.409 4.743 5.961 1.00 0.00 O ATOM 455 CB ALA A 32 15.151 3.712 3.672 1.00 0.00 C ATOM 0 H ALA A 32 13.651 3.957 1.757 1.00 0.00 H new ATOM 0 HA ALA A 32 13.331 2.720 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.623 3.635 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.476 2.881 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.439 4.653 3.203 1.00 0.00 H new ATOM 461 N THR A 33 12.548 5.808 4.180 1.00 0.00 N ATOM 462 CA THR A 33 12.073 6.941 4.968 1.00 0.00 C ATOM 463 C THR A 33 10.702 7.378 4.495 1.00 0.00 C ATOM 464 O THR A 33 10.353 8.556 4.574 1.00 0.00 O ATOM 465 CB THR A 33 13.062 8.104 4.862 1.00 0.00 C ATOM 466 OG1 THR A 33 13.485 8.243 3.513 1.00 0.00 O ATOM 467 CG2 THR A 33 14.276 7.825 5.754 1.00 0.00 C ATOM 0 H THR A 33 12.352 5.872 3.181 1.00 0.00 H new ATOM 0 HA THR A 33 11.998 6.633 6.011 1.00 0.00 H new ATOM 0 HB THR A 33 12.578 9.025 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.117 8.989 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.981 8.653 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.950 7.718 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.762 6.905 5.430 1.00 0.00 H new ATOM 475 N ILE A 34 9.921 6.426 4.004 1.00 0.00 N ATOM 476 CA ILE A 34 8.585 6.763 3.531 1.00 0.00 C ATOM 477 C ILE A 34 7.672 7.075 4.703 1.00 0.00 C ATOM 478 O ILE A 34 7.300 8.228 4.918 1.00 0.00 O ATOM 479 CB ILE A 34 8.022 5.591 2.676 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.294 5.874 1.194 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.503 5.387 2.855 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.535 7.126 0.739 1.00 0.00 C ATOM 0 H ILE A 34 10.178 5.442 3.923 1.00 0.00 H new ATOM 0 HA ILE A 34 8.638 7.654 2.905 1.00 0.00 H new ATOM 0 HB ILE A 34 8.523 4.684 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.363 6.012 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.989 5.018 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.172 4.556 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.286 5.167 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.977 6.294 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.739 7.312 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.465 6.974 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.860 7.983 1.329 1.00 0.00 H new ATOM 494 N ALA A 35 7.299 6.041 5.429 1.00 0.00 N ATOM 495 CA ALA A 35 6.406 6.195 6.553 1.00 0.00 C ATOM 496 C ALA A 35 5.898 4.834 7.014 1.00 0.00 C ATOM 497 O ALA A 35 4.867 4.755 7.668 1.00 0.00 O ATOM 498 CB ALA A 35 5.212 7.097 6.177 1.00 0.00 C ATOM 0 H ALA A 35 7.603 5.083 5.258 1.00 0.00 H new ATOM 0 HA ALA A 35 6.959 6.664 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.550 7.201 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.578 8.080 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.663 6.648 5.349 1.00 0.00 H new ATOM 504 N THR A 36 6.577 3.755 6.623 1.00 0.00 N ATOM 505 CA THR A 36 6.136 2.409 6.992 1.00 0.00 C ATOM 506 C THR A 36 5.563 2.395 8.405 1.00 0.00 C ATOM 507 O THR A 36 4.617 1.662 8.691 1.00 0.00 O ATOM 508 CB THR A 36 7.339 1.470 6.945 1.00 0.00 C ATOM 509 OG1 THR A 36 8.365 1.995 7.778 1.00 0.00 O ATOM 510 CG2 THR A 36 7.857 1.358 5.511 1.00 0.00 C ATOM 0 H THR A 36 7.425 3.785 6.057 1.00 0.00 H new ATOM 0 HA THR A 36 5.362 2.089 6.294 1.00 0.00 H new ATOM 0 HB THR A 36 7.043 0.481 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.142 1.398 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.715 0.686 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.069 0.964 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.157 2.343 5.154 1.00 0.00 H new ATOM 518 N ASP A 37 6.130 3.219 9.284 1.00 0.00 N ATOM 519 CA ASP A 37 5.660 3.303 10.664 1.00 0.00 C ATOM 520 C ASP A 37 4.756 4.514 10.857 1.00 0.00 C ATOM 521 O ASP A 37 4.063 4.623 11.867 1.00 0.00 O ATOM 522 CB ASP A 37 6.863 3.408 11.605 1.00 0.00 C ATOM 523 CG ASP A 37 7.846 4.465 11.099 1.00 0.00 C ATOM 524 OD1 ASP A 37 8.039 4.549 9.899 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.396 5.175 11.926 1.00 0.00 O ATOM 0 H ASP A 37 6.913 3.836 9.066 1.00 0.00 H new ATOM 0 HA ASP A 37 5.087 2.404 10.891 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.526 3.667 12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.363 2.442 11.676 1.00 0.00 H new ATOM 530 N LEU A 38 4.756 5.419 9.880 1.00 0.00 N ATOM 531 CA LEU A 38 3.918 6.616 9.951 1.00 0.00 C ATOM 532 C LEU A 38 2.696 6.475 9.041 1.00 0.00 C ATOM 533 O LEU A 38 2.728 5.757 8.041 1.00 0.00 O ATOM 534 CB LEU A 38 4.726 7.866 9.523 1.00 0.00 C ATOM 535 CG LEU A 38 5.458 8.498 10.731 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.860 7.907 10.836 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.547 10.019 10.537 1.00 0.00 C ATOM 0 H LEU A 38 5.323 5.348 9.035 1.00 0.00 H new ATOM 0 HA LEU A 38 3.586 6.732 10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.452 7.589 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.056 8.600 9.075 1.00 0.00 H new ATOM 0 HG LEU A 38 4.907 8.286 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.379 8.350 11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.791 6.828 10.975 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.414 8.120 9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.063 10.465 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.099 10.238 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.543 10.436 10.463 1.00 0.00 H new ATOM 549 N PRO A 39 1.637 7.174 9.362 1.00 0.00 N ATOM 550 CA PRO A 39 0.391 7.161 8.548 1.00 0.00 C ATOM 551 C PRO A 39 0.585 7.882 7.215 1.00 0.00 C ATOM 552 O PRO A 39 1.668 8.385 6.916 1.00 0.00 O ATOM 553 CB PRO A 39 -0.627 7.897 9.433 1.00 0.00 C ATOM 554 CG PRO A 39 0.193 8.784 10.316 1.00 0.00 C ATOM 555 CD PRO A 39 1.506 8.046 10.544 1.00 0.00 C ATOM 0 HA PRO A 39 0.074 6.152 8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.326 8.478 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.219 7.195 10.020 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.365 9.752 9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.317 8.975 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.344 8.738 10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.483 7.466 11.467 1.00 0.00 H new ATOM 563 N LEU A 40 -0.482 7.940 6.432 1.00 0.00 N ATOM 564 CA LEU A 40 -0.441 8.620 5.145 1.00 0.00 C ATOM 565 C LEU A 40 -0.461 10.134 5.331 1.00 0.00 C ATOM 566 O LEU A 40 -0.003 10.885 4.472 1.00 0.00 O ATOM 567 CB LEU A 40 -1.634 8.184 4.277 1.00 0.00 C ATOM 568 CG LEU A 40 -2.941 8.818 4.785 1.00 0.00 C ATOM 569 CD1 LEU A 40 -4.071 8.497 3.816 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.268 8.273 6.174 1.00 0.00 C ATOM 0 H LEU A 40 -1.385 7.526 6.664 1.00 0.00 H new ATOM 0 HA LEU A 40 0.487 8.345 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.462 8.476 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.722 7.098 4.291 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.823 9.900 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.997 8.946 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.831 8.899 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.195 7.416 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.194 8.723 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.387 7.191 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.457 8.516 6.860 1.00 0.00 H new ATOM 582 N THR A 41 -1.012 10.575 6.454 1.00 0.00 N ATOM 583 CA THR A 41 -1.121 11.999 6.727 1.00 0.00 C ATOM 584 C THR A 41 0.228 12.675 6.591 1.00 0.00 C ATOM 585 O THR A 41 0.306 13.811 6.133 1.00 0.00 O ATOM 586 CB THR A 41 -1.665 12.229 8.136 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.803 11.609 9.076 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.070 11.633 8.256 1.00 0.00 C ATOM 0 H THR A 41 -1.388 9.971 7.185 1.00 0.00 H new ATOM 0 HA THR A 41 -1.808 12.431 6.000 1.00 0.00 H new ATOM 0 HB THR A 41 -1.716 13.300 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.147 11.755 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.452 11.801 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.731 12.111 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.029 10.562 8.057 1.00 0.00 H new ATOM 596 N SER A 42 1.284 11.991 7.012 1.00 0.00 N ATOM 597 CA SER A 42 2.623 12.560 6.947 1.00 0.00 C ATOM 598 C SER A 42 2.875 13.193 5.583 1.00 0.00 C ATOM 599 O SER A 42 3.570 14.204 5.478 1.00 0.00 O ATOM 600 CB SER A 42 3.660 11.457 7.224 1.00 0.00 C ATOM 601 OG SER A 42 3.701 11.196 8.619 1.00 0.00 O ATOM 0 H SER A 42 1.240 11.048 7.399 1.00 0.00 H new ATOM 0 HA SER A 42 2.714 13.341 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.398 10.550 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.643 11.768 6.871 1.00 0.00 H new ATOM 0 HG SER A 42 4.107 11.958 9.083 1.00 0.00 H new ATOM 607 N TYR A 43 2.308 12.601 4.543 1.00 0.00 N ATOM 608 CA TYR A 43 2.485 13.122 3.194 1.00 0.00 C ATOM 609 C TYR A 43 1.805 14.477 3.043 1.00 0.00 C ATOM 610 O TYR A 43 1.994 15.168 2.043 1.00 0.00 O ATOM 611 CB TYR A 43 1.904 12.133 2.180 1.00 0.00 C ATOM 612 CG TYR A 43 2.430 10.736 2.444 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.792 10.522 2.707 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.549 9.645 2.421 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.261 9.231 2.949 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.029 8.354 2.660 1.00 0.00 C ATOM 617 CZ TYR A 43 3.376 8.151 2.924 1.00 0.00 C ATOM 618 OH TYR A 43 3.835 6.877 3.147 1.00 0.00 O ATOM 0 H TYR A 43 1.726 11.766 4.605 1.00 0.00 H new ATOM 0 HA TYR A 43 3.551 13.251 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.816 12.136 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.167 12.443 1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.477 11.357 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.500 9.802 2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.308 9.067 3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.351 7.514 2.639 1.00 0.00 H new ATOM 0 HH TYR A 43 3.087 6.246 3.095 1.00 0.00 H new ATOM 628 N GLY A 44 1.039 14.861 4.048 1.00 0.00 N ATOM 629 CA GLY A 44 0.365 16.149 4.026 1.00 0.00 C ATOM 630 C GLY A 44 -0.622 16.218 2.875 1.00 0.00 C ATOM 631 O GLY A 44 -0.962 17.300 2.397 1.00 0.00 O ATOM 0 H GLY A 44 0.868 14.304 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.157 16.308 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.100 16.948 3.930 1.00 0.00 H new ATOM 635 N LEU A 45 -1.068 15.057 2.417 1.00 0.00 N ATOM 636 CA LEU A 45 -2.004 14.992 1.307 1.00 0.00 C ATOM 637 C LEU A 45 -3.414 15.428 1.714 1.00 0.00 C ATOM 638 O LEU A 45 -3.875 15.154 2.818 1.00 0.00 O ATOM 639 CB LEU A 45 -2.049 13.557 0.759 1.00 0.00 C ATOM 640 CG LEU A 45 -2.893 12.637 1.670 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.913 11.209 1.103 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.296 12.622 3.084 1.00 0.00 C ATOM 0 H LEU A 45 -0.797 14.150 2.797 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.654 15.682 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.469 13.562 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.036 13.164 0.679 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.914 13.018 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.510 10.568 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.348 11.220 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.895 10.824 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.893 11.973 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.272 12.249 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.298 13.633 3.490 1.00 0.00 H new ATOM 654 N ASP A 46 -4.101 16.099 0.807 1.00 0.00 N ATOM 655 CA ASP A 46 -5.458 16.538 1.088 1.00 0.00 C ATOM 656 C ASP A 46 -6.408 15.338 1.089 1.00 0.00 C ATOM 657 O ASP A 46 -5.975 14.193 0.947 1.00 0.00 O ATOM 658 CB ASP A 46 -5.910 17.545 0.038 1.00 0.00 C ATOM 659 CG ASP A 46 -7.204 18.211 0.486 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.516 18.125 1.663 1.00 0.00 O ATOM 661 OD2 ASP A 46 -7.868 18.795 -0.354 1.00 0.00 O ATOM 0 H ASP A 46 -3.750 16.349 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.476 17.011 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.136 18.298 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.060 17.044 -0.919 1.00 0.00 H new ATOM 666 N SER A 47 -7.702 15.603 1.248 1.00 0.00 N ATOM 667 CA SER A 47 -8.702 14.539 1.257 1.00 0.00 C ATOM 668 C SER A 47 -8.968 14.028 -0.157 1.00 0.00 C ATOM 669 O SER A 47 -9.191 12.835 -0.365 1.00 0.00 O ATOM 670 CB SER A 47 -10.004 15.062 1.863 1.00 0.00 C ATOM 671 OG SER A 47 -9.782 15.403 3.226 1.00 0.00 O ATOM 0 H SER A 47 -8.082 16.542 1.372 1.00 0.00 H new ATOM 0 HA SER A 47 -8.319 13.714 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.352 15.934 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.784 14.305 1.788 1.00 0.00 H new ATOM 0 HG SER A 47 -10.614 15.741 3.618 1.00 0.00 H new ATOM 677 N VAL A 48 -8.945 14.941 -1.122 1.00 0.00 N ATOM 678 CA VAL A 48 -9.190 14.577 -2.514 1.00 0.00 C ATOM 679 C VAL A 48 -8.081 13.674 -3.038 1.00 0.00 C ATOM 680 O VAL A 48 -8.290 12.898 -3.970 1.00 0.00 O ATOM 681 CB VAL A 48 -9.276 15.835 -3.381 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.554 16.603 -3.040 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.061 16.723 -3.108 1.00 0.00 C ATOM 0 H VAL A 48 -8.761 15.932 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.136 14.038 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.292 15.552 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.616 17.499 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.421 15.970 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.538 16.888 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.120 17.620 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.047 17.006 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.149 16.176 -3.349 1.00 0.00 H new ATOM 693 N TYR A 49 -6.900 13.787 -2.445 1.00 0.00 N ATOM 694 CA TYR A 49 -5.767 12.981 -2.881 1.00 0.00 C ATOM 695 C TYR A 49 -6.109 11.496 -2.809 1.00 0.00 C ATOM 696 O TYR A 49 -5.925 10.759 -3.775 1.00 0.00 O ATOM 697 CB TYR A 49 -4.545 13.286 -1.975 1.00 0.00 C ATOM 698 CG TYR A 49 -3.379 13.781 -2.802 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.547 14.885 -3.640 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.141 13.132 -2.737 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.478 15.340 -4.417 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.074 13.583 -3.507 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.239 14.689 -4.351 1.00 0.00 C ATOM 704 OH TYR A 49 -0.186 15.135 -5.119 1.00 0.00 O ATOM 0 H TYR A 49 -6.702 14.420 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.529 13.230 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.815 14.036 -1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.256 12.387 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.502 15.387 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.014 12.279 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.607 16.192 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.119 13.081 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 49 0.600 14.574 -4.954 1.00 0.00 H new ATOM 714 N ALA A 50 -6.603 11.067 -1.659 1.00 0.00 N ATOM 715 CA ALA A 50 -6.952 9.667 -1.481 1.00 0.00 C ATOM 716 C ALA A 50 -7.763 9.182 -2.666 1.00 0.00 C ATOM 717 O ALA A 50 -7.550 8.078 -3.168 1.00 0.00 O ATOM 718 CB ALA A 50 -7.762 9.489 -0.198 1.00 0.00 C ATOM 0 H ALA A 50 -6.770 11.659 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.035 9.082 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.019 8.437 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.170 9.822 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.675 10.081 -0.259 1.00 0.00 H new ATOM 724 N LEU A 51 -8.703 10.000 -3.104 1.00 0.00 N ATOM 725 CA LEU A 51 -9.543 9.617 -4.220 1.00 0.00 C ATOM 726 C LEU A 51 -8.705 9.131 -5.395 1.00 0.00 C ATOM 727 O LEU A 51 -8.772 7.960 -5.778 1.00 0.00 O ATOM 728 CB LEU A 51 -10.395 10.821 -4.668 1.00 0.00 C ATOM 729 CG LEU A 51 -11.625 10.367 -5.476 1.00 0.00 C ATOM 730 CD1 LEU A 51 -11.173 9.621 -6.743 1.00 0.00 C ATOM 731 CD2 LEU A 51 -12.532 9.473 -4.603 1.00 0.00 C ATOM 0 H LEU A 51 -8.901 10.920 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.190 8.803 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.720 11.385 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.788 11.494 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.200 11.242 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.048 9.303 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.564 10.284 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.586 8.747 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.399 9.157 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.973 8.595 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.865 10.035 -3.730 1.00 0.00 H new ATOM 743 N SER A 52 -7.922 10.028 -5.973 1.00 0.00 N ATOM 744 CA SER A 52 -7.102 9.667 -7.113 1.00 0.00 C ATOM 745 C SER A 52 -6.008 8.696 -6.716 1.00 0.00 C ATOM 746 O SER A 52 -5.780 7.693 -7.387 1.00 0.00 O ATOM 747 CB SER A 52 -6.487 10.927 -7.697 1.00 0.00 C ATOM 748 OG SER A 52 -5.756 10.597 -8.872 1.00 0.00 O ATOM 0 H SER A 52 -7.839 11.000 -5.674 1.00 0.00 H new ATOM 0 HA SER A 52 -7.731 9.177 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.268 11.650 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.829 11.396 -6.966 1.00 0.00 H new ATOM 0 HG SER A 52 -5.360 11.410 -9.250 1.00 0.00 H new ATOM 754 N ILE A 53 -5.324 9.001 -5.627 1.00 0.00 N ATOM 755 CA ILE A 53 -4.246 8.143 -5.166 1.00 0.00 C ATOM 756 C ILE A 53 -4.754 6.725 -4.947 1.00 0.00 C ATOM 757 O ILE A 53 -4.342 5.797 -5.638 1.00 0.00 O ATOM 758 CB ILE A 53 -3.677 8.705 -3.859 1.00 0.00 C ATOM 759 CG1 ILE A 53 -3.186 10.153 -4.082 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.525 7.820 -3.361 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.739 10.157 -4.611 1.00 0.00 C ATOM 0 H ILE A 53 -5.493 9.826 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.462 8.114 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.461 8.712 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.840 10.660 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.239 10.709 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.128 8.228 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.893 6.809 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.736 7.793 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.410 11.185 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.086 9.669 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.696 9.619 -5.558 1.00 0.00 H new ATOM 773 N ALA A 54 -5.660 6.566 -3.993 1.00 0.00 N ATOM 774 CA ALA A 54 -6.207 5.251 -3.704 1.00 0.00 C ATOM 775 C ALA A 54 -6.659 4.571 -4.992 1.00 0.00 C ATOM 776 O ALA A 54 -6.478 3.361 -5.164 1.00 0.00 O ATOM 777 CB ALA A 54 -7.389 5.381 -2.746 1.00 0.00 C ATOM 0 H ALA A 54 -6.027 7.321 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.431 4.643 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.795 4.392 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.055 5.844 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.161 6.000 -3.203 1.00 0.00 H new ATOM 783 N ALA A 55 -7.231 5.359 -5.900 1.00 0.00 N ATOM 784 CA ALA A 55 -7.692 4.821 -7.175 1.00 0.00 C ATOM 785 C ALA A 55 -6.513 4.326 -8.013 1.00 0.00 C ATOM 786 O ALA A 55 -6.590 3.276 -8.648 1.00 0.00 O ATOM 787 CB ALA A 55 -8.459 5.896 -7.948 1.00 0.00 C ATOM 0 H ALA A 55 -7.385 6.360 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.353 3.978 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.800 5.487 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.320 6.220 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.804 6.748 -8.133 1.00 0.00 H new ATOM 793 N GLU A 56 -5.421 5.084 -8.013 1.00 0.00 N ATOM 794 CA GLU A 56 -4.240 4.699 -8.780 1.00 0.00 C ATOM 795 C GLU A 56 -3.562 3.479 -8.161 1.00 0.00 C ATOM 796 O GLU A 56 -3.179 2.542 -8.863 1.00 0.00 O ATOM 797 CB GLU A 56 -3.255 5.869 -8.823 1.00 0.00 C ATOM 798 CG GLU A 56 -3.803 6.974 -9.729 1.00 0.00 C ATOM 799 CD GLU A 56 -3.792 6.515 -11.183 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.753 6.063 -11.631 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.823 6.627 -11.827 1.00 0.00 O ATOM 0 H GLU A 56 -5.328 5.959 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.553 4.442 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.093 6.257 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.288 5.529 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.819 7.231 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.201 7.876 -9.620 1.00 0.00 H new ATOM 808 N LEU A 57 -3.398 3.497 -6.846 1.00 0.00 N ATOM 809 CA LEU A 57 -2.748 2.386 -6.161 1.00 0.00 C ATOM 810 C LEU A 57 -3.458 1.085 -6.495 1.00 0.00 C ATOM 811 O LEU A 57 -2.865 0.192 -7.075 1.00 0.00 O ATOM 812 CB LEU A 57 -2.791 2.625 -4.637 1.00 0.00 C ATOM 813 CG LEU A 57 -1.549 3.413 -4.190 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.584 4.811 -4.788 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.532 3.509 -2.665 1.00 0.00 C ATOM 0 H LEU A 57 -3.701 4.257 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.711 2.319 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.694 3.175 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.834 1.670 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.651 2.899 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.702 5.366 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.594 4.741 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.481 5.329 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.652 4.067 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.431 4.021 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.501 2.507 -2.238 1.00 0.00 H new ATOM 827 N GLU A 58 -4.725 0.992 -6.122 1.00 0.00 N ATOM 828 CA GLU A 58 -5.489 -0.226 -6.384 1.00 0.00 C ATOM 829 C GLU A 58 -5.514 -0.547 -7.873 1.00 0.00 C ATOM 830 O GLU A 58 -5.554 -1.714 -8.259 1.00 0.00 O ATOM 831 CB GLU A 58 -6.918 -0.073 -5.889 1.00 0.00 C ATOM 832 CG GLU A 58 -7.586 1.134 -6.589 1.00 0.00 C ATOM 833 CD GLU A 58 -8.379 0.676 -7.810 1.00 0.00 C ATOM 834 OE1 GLU A 58 -9.482 0.190 -7.625 1.00 0.00 O ATOM 835 OE2 GLU A 58 -7.874 0.819 -8.910 1.00 0.00 O ATOM 0 H GLU A 58 -5.243 1.730 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.000 -1.042 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.483 -0.982 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.925 0.071 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.248 1.646 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.825 1.853 -6.892 1.00 0.00 H new ATOM 842 N ASP A 59 -5.489 0.489 -8.706 1.00 0.00 N ATOM 843 CA ASP A 59 -5.509 0.285 -10.151 1.00 0.00 C ATOM 844 C ASP A 59 -4.277 -0.495 -10.602 1.00 0.00 C ATOM 845 O ASP A 59 -4.370 -1.377 -11.456 1.00 0.00 O ATOM 846 CB ASP A 59 -5.552 1.634 -10.870 1.00 0.00 C ATOM 847 CG ASP A 59 -5.433 1.438 -12.375 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.293 0.781 -12.936 1.00 0.00 O ATOM 849 OD2 ASP A 59 -4.480 1.947 -12.944 1.00 0.00 O ATOM 0 H ASP A 59 -5.455 1.465 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.400 -0.289 -10.403 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.484 2.148 -10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.740 2.269 -10.514 1.00 0.00 H new ATOM 854 N HIS A 60 -3.125 -0.163 -10.031 1.00 0.00 N ATOM 855 CA HIS A 60 -1.888 -0.840 -10.397 1.00 0.00 C ATOM 856 C HIS A 60 -2.026 -2.348 -10.209 1.00 0.00 C ATOM 857 O HIS A 60 -1.625 -3.130 -11.072 1.00 0.00 O ATOM 858 CB HIS A 60 -0.727 -0.306 -9.526 1.00 0.00 C ATOM 859 CG HIS A 60 -0.025 0.820 -10.227 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.718 1.791 -10.927 1.00 0.00 N ATOM 861 CD2 HIS A 60 1.301 1.141 -10.345 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.187 2.645 -11.434 1.00 0.00 C ATOM 863 NE2 HIS A 60 1.435 2.294 -11.110 1.00 0.00 N ATOM 0 H HIS A 60 -3.022 0.562 -9.321 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.676 -0.640 -11.447 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.112 0.038 -8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.021 -1.110 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.118 0.584 -9.910 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.064 3.510 -12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.300 2.770 -11.368 1.00 0.00 H new ATOM 872 N LEU A 61 -2.601 -2.750 -9.084 1.00 0.00 N ATOM 873 CA LEU A 61 -2.791 -4.163 -8.801 1.00 0.00 C ATOM 874 C LEU A 61 -3.984 -4.709 -9.529 1.00 0.00 C ATOM 875 O LEU A 61 -3.914 -5.835 -10.007 1.00 0.00 O ATOM 876 CB LEU A 61 -2.939 -4.407 -7.297 1.00 0.00 C ATOM 877 CG LEU A 61 -1.788 -3.717 -6.540 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.441 -4.043 -7.207 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.009 -2.197 -6.528 1.00 0.00 C ATOM 0 H LEU A 61 -2.942 -2.121 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.903 -4.687 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.898 -4.022 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.932 -5.477 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.771 -4.086 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.364 -3.549 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.280 -5.121 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.451 -3.690 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.192 -1.715 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.039 -1.826 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.953 -1.970 -6.032 1.00 0.00 H new ATOM 891 N ASP A 62 -5.075 -3.924 -9.571 1.00 0.00 N ATOM 892 CA ASP A 62 -6.329 -4.335 -10.215 1.00 0.00 C ATOM 893 C ASP A 62 -7.282 -4.892 -9.170 1.00 0.00 C ATOM 894 O ASP A 62 -7.555 -6.092 -9.144 1.00 0.00 O ATOM 895 CB ASP A 62 -6.089 -5.396 -11.280 1.00 0.00 C ATOM 896 CG ASP A 62 -4.992 -4.919 -12.231 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.083 -3.788 -12.682 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.069 -5.678 -12.482 1.00 0.00 O ATOM 0 H ASP A 62 -5.110 -2.991 -9.160 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.761 -3.456 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.797 -6.337 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.008 -5.586 -11.834 1.00 0.00 H new ATOM 903 N VAL A 63 -7.786 -4.009 -8.310 1.00 0.00 N ATOM 904 CA VAL A 63 -8.705 -4.420 -7.255 1.00 0.00 C ATOM 905 C VAL A 63 -9.506 -3.229 -6.738 1.00 0.00 C ATOM 906 O VAL A 63 -9.228 -2.087 -7.089 1.00 0.00 O ATOM 907 CB VAL A 63 -7.896 -5.024 -6.100 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.410 -6.423 -6.466 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.679 -4.144 -5.827 1.00 0.00 C ATOM 0 H VAL A 63 -7.574 -3.011 -8.324 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.400 -5.155 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.534 -5.082 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.838 -6.838 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.267 -7.064 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.777 -6.368 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.100 -4.568 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.058 -4.094 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.009 -3.141 -5.557 1.00 0.00 H new ATOM 919 N SER A 64 -10.504 -3.507 -5.896 1.00 0.00 N ATOM 920 CA SER A 64 -11.340 -2.453 -5.319 1.00 0.00 C ATOM 921 C SER A 64 -11.230 -2.477 -3.800 1.00 0.00 C ATOM 922 O SER A 64 -11.148 -3.542 -3.189 1.00 0.00 O ATOM 923 CB SER A 64 -12.799 -2.663 -5.727 1.00 0.00 C ATOM 924 OG SER A 64 -13.416 -3.560 -4.811 1.00 0.00 O ATOM 0 H SER A 64 -10.752 -4.451 -5.599 1.00 0.00 H new ATOM 0 HA SER A 64 -10.997 -1.488 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.328 -1.710 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.852 -3.064 -6.739 1.00 0.00 H new ATOM 0 HG SER A 64 -14.352 -3.697 -5.067 1.00 0.00 H new ATOM 930 N LEU A 65 -11.222 -1.289 -3.195 1.00 0.00 N ATOM 931 CA LEU A 65 -11.112 -1.161 -1.737 1.00 0.00 C ATOM 932 C LEU A 65 -12.335 -0.450 -1.184 1.00 0.00 C ATOM 933 O LEU A 65 -13.200 0.000 -1.936 1.00 0.00 O ATOM 934 CB LEU A 65 -9.836 -0.377 -1.357 1.00 0.00 C ATOM 935 CG LEU A 65 -8.813 -0.472 -2.499 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.208 0.506 -3.636 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.405 -0.127 -1.970 1.00 0.00 C ATOM 0 H LEU A 65 -11.290 -0.400 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.051 -2.160 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.083 0.667 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.409 -0.780 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.804 -1.489 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.481 0.437 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.197 0.245 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.225 1.525 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.683 -0.196 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.405 0.887 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.131 -0.828 -1.182 1.00 0.00 H new ATOM 949 N ASP A 66 -12.397 -0.345 0.139 1.00 0.00 N ATOM 950 CA ASP A 66 -13.517 0.323 0.791 1.00 0.00 C ATOM 951 C ASP A 66 -13.147 1.760 1.165 1.00 0.00 C ATOM 952 O ASP A 66 -11.976 2.088 1.316 1.00 0.00 O ATOM 953 CB ASP A 66 -13.926 -0.471 2.048 1.00 0.00 C ATOM 954 CG ASP A 66 -15.177 -1.307 1.773 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.326 -1.759 0.649 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.969 -1.472 2.685 1.00 0.00 O ATOM 0 H ASP A 66 -11.690 -0.711 0.777 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.358 0.361 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.108 -1.122 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.115 0.216 2.873 1.00 0.00 H new ATOM 961 N PRO A 67 -14.128 2.607 1.330 1.00 0.00 N ATOM 962 CA PRO A 67 -13.905 4.034 1.710 1.00 0.00 C ATOM 963 C PRO A 67 -13.371 4.176 3.136 1.00 0.00 C ATOM 964 O PRO A 67 -12.209 4.527 3.345 1.00 0.00 O ATOM 965 CB PRO A 67 -15.302 4.665 1.572 1.00 0.00 C ATOM 966 CG PRO A 67 -16.265 3.529 1.728 1.00 0.00 C ATOM 967 CD PRO A 67 -15.560 2.298 1.168 1.00 0.00 C ATOM 0 HA PRO A 67 -13.153 4.515 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.466 5.427 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.420 5.151 0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.530 3.384 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.192 3.727 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.838 1.396 1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.817 2.131 0.122 1.00 0.00 H new ATOM 975 N THR A 68 -14.233 3.915 4.112 1.00 0.00 N ATOM 976 CA THR A 68 -13.848 4.033 5.511 1.00 0.00 C ATOM 977 C THR A 68 -12.671 3.117 5.819 1.00 0.00 C ATOM 978 O THR A 68 -11.926 3.345 6.771 1.00 0.00 O ATOM 979 CB THR A 68 -15.033 3.671 6.410 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.116 4.551 6.144 1.00 0.00 O ATOM 981 CG2 THR A 68 -14.619 3.799 7.876 1.00 0.00 C ATOM 0 H THR A 68 -15.198 3.622 3.960 1.00 0.00 H new ATOM 0 HA THR A 68 -13.550 5.064 5.703 1.00 0.00 H new ATOM 0 HB THR A 68 -15.341 2.645 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.875 4.318 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.463 3.541 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.789 3.123 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.310 4.824 8.079 1.00 0.00 H new ATOM 989 N LEU A 69 -12.505 2.086 5.003 1.00 0.00 N ATOM 990 CA LEU A 69 -11.406 1.150 5.190 1.00 0.00 C ATOM 991 C LEU A 69 -10.064 1.839 4.945 1.00 0.00 C ATOM 992 O LEU A 69 -9.111 1.649 5.696 1.00 0.00 O ATOM 993 CB LEU A 69 -11.573 -0.038 4.244 1.00 0.00 C ATOM 994 CG LEU A 69 -10.460 -1.073 4.497 1.00 0.00 C ATOM 995 CD1 LEU A 69 -10.899 -2.425 3.925 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.120 -0.627 3.852 1.00 0.00 C ATOM 0 H LEU A 69 -13.112 1.877 4.211 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.422 0.792 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.550 -0.498 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.536 0.302 3.209 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.296 -1.159 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.118 -3.165 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.818 -2.746 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.074 -2.327 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.354 -1.378 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.253 -0.517 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.810 0.327 4.279 1.00 0.00 H new ATOM 1008 N ILE A 70 -9.999 2.645 3.893 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.761 3.345 3.565 1.00 0.00 C ATOM 1010 C ILE A 70 -8.297 4.167 4.761 1.00 0.00 C ATOM 1011 O ILE A 70 -7.113 4.174 5.096 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.985 4.253 2.347 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.164 3.391 1.084 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.782 5.181 2.162 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.892 4.196 0.002 1.00 0.00 C ATOM 0 H ILE A 70 -10.777 2.830 3.259 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.988 2.615 3.322 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.881 4.852 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.192 3.065 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.731 2.492 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.947 5.823 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.658 5.798 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.883 4.585 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.015 3.580 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.871 4.500 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.308 5.082 -0.247 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.233 4.842 5.408 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.900 5.642 6.575 1.00 0.00 C ATOM 1029 C TRP A 71 -8.626 4.733 7.774 1.00 0.00 C ATOM 1030 O TRP A 71 -7.992 5.148 8.743 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.049 6.606 6.895 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.991 7.784 5.972 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.893 8.064 5.005 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.985 8.835 5.914 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.507 9.227 4.359 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.335 9.738 4.883 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.813 9.091 6.650 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.552 10.857 4.593 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.023 10.215 6.361 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.392 11.095 5.334 1.00 0.00 C ATOM 0 H TRP A 71 -10.219 4.853 5.149 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.002 6.222 6.362 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.006 6.095 6.788 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.979 6.939 7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.770 7.478 4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.025 9.654 3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.519 8.418 7.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.841 11.533 3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.126 10.403 6.933 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.779 11.957 5.116 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.111 3.494 7.697 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.910 2.536 8.780 1.00 0.00 C ATOM 1053 C ASP A 72 -7.457 2.090 8.830 1.00 0.00 C ATOM 1054 O ASP A 72 -6.862 1.996 9.905 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.814 1.319 8.588 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.872 0.509 9.881 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.439 1.023 10.900 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.349 -0.611 9.833 1.00 0.00 O ATOM 0 H ASP A 72 -9.641 3.134 6.903 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.165 3.024 9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.816 1.640 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.436 0.698 7.776 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.882 1.825 7.656 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.482 1.399 7.560 1.00 0.00 C ATOM 1065 C HIS A 73 -4.618 2.513 6.958 1.00 0.00 C ATOM 1066 O HIS A 73 -4.150 2.398 5.826 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.390 0.150 6.687 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.367 -0.874 7.192 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -6.795 -0.904 8.511 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.015 -1.902 6.562 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -7.666 -1.923 8.628 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -7.836 -2.565 7.469 1.00 0.00 N ATOM 0 H HIS A 73 -7.362 1.897 6.759 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.114 1.177 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.609 0.400 5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.377 -0.252 6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.906 -2.160 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.167 -2.189 9.547 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.438 -3.368 7.288 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.403 3.587 7.690 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.582 4.739 7.209 1.00 0.00 C ATOM 1083 C PRO A 74 -2.096 4.405 7.151 1.00 0.00 C ATOM 1084 O PRO A 74 -1.301 5.162 6.592 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.858 5.837 8.250 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.212 5.104 9.499 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.920 3.830 9.051 1.00 0.00 C ATOM 0 HA PRO A 74 -3.842 5.031 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.983 6.469 8.398 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.672 6.488 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.320 4.871 10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.859 5.707 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.697 2.996 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.003 3.956 9.049 1.00 0.00 H new ATOM 1095 N THR A 75 -1.726 3.272 7.735 1.00 0.00 N ATOM 1096 CA THR A 75 -0.328 2.843 7.752 1.00 0.00 C ATOM 1097 C THR A 75 -0.119 1.657 6.815 1.00 0.00 C ATOM 1098 O THR A 75 -1.046 0.901 6.529 1.00 0.00 O ATOM 1099 CB THR A 75 0.074 2.454 9.181 1.00 0.00 C ATOM 1100 OG1 THR A 75 -0.951 1.659 9.759 1.00 0.00 O ATOM 1101 CG2 THR A 75 0.280 3.719 10.021 1.00 0.00 C ATOM 0 H THR A 75 -2.370 2.634 8.202 1.00 0.00 H new ATOM 0 HA THR A 75 0.296 3.669 7.410 1.00 0.00 H new ATOM 0 HB THR A 75 1.004 1.886 9.155 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.695 1.408 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.565 3.440 11.035 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.068 4.327 9.576 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.647 4.292 10.050 1.00 0.00 H new ATOM 1109 N ILE A 76 1.115 1.504 6.353 1.00 0.00 N ATOM 1110 CA ILE A 76 1.463 0.407 5.457 1.00 0.00 C ATOM 1111 C ILE A 76 1.324 -0.929 6.174 1.00 0.00 C ATOM 1112 O ILE A 76 0.829 -1.898 5.606 1.00 0.00 O ATOM 1113 CB ILE A 76 2.893 0.573 4.940 1.00 0.00 C ATOM 1114 CG1 ILE A 76 2.952 1.792 4.012 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.319 -0.681 4.160 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.410 2.169 3.716 1.00 0.00 C ATOM 0 H ILE A 76 1.891 2.124 6.583 1.00 0.00 H new ATOM 0 HA ILE A 76 0.777 0.426 4.610 1.00 0.00 H new ATOM 0 HB ILE A 76 3.568 0.714 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.430 1.573 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.439 2.635 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.338 -0.554 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.274 -1.550 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.647 -0.829 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.435 3.036 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.921 2.408 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.912 1.331 3.233 1.00 0.00 H new ATOM 1128 N ASP A 77 1.781 -0.977 7.419 1.00 0.00 N ATOM 1129 CA ASP A 77 1.717 -2.210 8.191 1.00 0.00 C ATOM 1130 C ASP A 77 0.320 -2.812 8.105 1.00 0.00 C ATOM 1131 O ASP A 77 0.163 -3.998 7.811 1.00 0.00 O ATOM 1132 CB ASP A 77 2.058 -1.918 9.654 1.00 0.00 C ATOM 1133 CG ASP A 77 1.997 -3.204 10.473 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.601 -4.217 9.920 1.00 0.00 O ATOM 1135 OD2 ASP A 77 2.350 -3.156 11.640 1.00 0.00 O ATOM 0 H ASP A 77 2.196 -0.185 7.911 1.00 0.00 H new ATOM 0 HA ASP A 77 2.436 -2.920 7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.054 -1.480 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.359 -1.186 10.059 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.691 -1.990 8.350 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.067 -2.458 8.283 1.00 0.00 C ATOM 1142 C ALA A 78 -2.448 -2.768 6.841 1.00 0.00 C ATOM 1143 O ALA A 78 -3.104 -3.771 6.561 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.013 -1.397 8.854 1.00 0.00 C ATOM 0 H ALA A 78 -0.586 -1.005 8.595 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.155 -3.369 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.040 -1.758 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.753 -1.200 9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.920 -0.478 8.276 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.049 -1.890 5.931 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.378 -2.079 4.526 1.00 0.00 C ATOM 1152 C LEU A 79 -1.829 -3.411 4.021 1.00 0.00 C ATOM 1153 O LEU A 79 -2.555 -4.206 3.425 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.780 -0.923 3.700 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.798 -0.416 2.658 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.325 -1.590 1.792 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -3.980 0.287 3.383 1.00 0.00 C ATOM 0 H LEU A 79 -1.505 -1.052 6.136 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.462 -2.087 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.492 -0.107 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.874 -1.260 3.197 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.302 0.298 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.042 -1.211 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.491 -2.060 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.813 -2.324 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.698 0.645 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.469 -0.421 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.602 1.131 3.961 1.00 0.00 H new ATOM 1169 N SER A 80 -0.548 -3.640 4.263 1.00 0.00 N ATOM 1170 CA SER A 80 0.087 -4.871 3.828 1.00 0.00 C ATOM 1171 C SER A 80 -0.570 -6.066 4.496 1.00 0.00 C ATOM 1172 O SER A 80 -0.844 -7.073 3.847 1.00 0.00 O ATOM 1173 CB SER A 80 1.575 -4.839 4.169 1.00 0.00 C ATOM 1174 OG SER A 80 2.107 -6.152 4.061 1.00 0.00 O ATOM 0 H SER A 80 0.068 -2.993 4.755 1.00 0.00 H new ATOM 0 HA SER A 80 -0.030 -4.963 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.101 -4.164 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.721 -4.457 5.179 1.00 0.00 H new ATOM 0 HG SER A 80 3.059 -6.139 4.293 1.00 0.00 H new ATOM 1180 N THR A 81 -0.824 -5.944 5.795 1.00 0.00 N ATOM 1181 CA THR A 81 -1.454 -7.023 6.547 1.00 0.00 C ATOM 1182 C THR A 81 -2.797 -7.390 5.922 1.00 0.00 C ATOM 1183 O THR A 81 -3.141 -8.566 5.780 1.00 0.00 O ATOM 1184 CB THR A 81 -1.664 -6.592 8.000 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.402 -6.356 8.612 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.410 -7.692 8.759 1.00 0.00 C ATOM 0 H THR A 81 -0.605 -5.114 6.346 1.00 0.00 H new ATOM 0 HA THR A 81 -0.801 -7.895 6.520 1.00 0.00 H new ATOM 0 HB THR A 81 -2.254 -5.676 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.082 -5.668 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.559 -7.383 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.378 -7.866 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.825 -8.611 8.735 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.562 -6.380 5.548 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.855 -6.622 4.935 1.00 0.00 C ATOM 1196 C ALA A 82 -4.689 -7.239 3.548 1.00 0.00 C ATOM 1197 O ALA A 82 -5.441 -8.147 3.165 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.625 -5.306 4.814 1.00 0.00 C ATOM 0 H ALA A 82 -3.315 -5.396 5.656 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.409 -7.317 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.595 -5.493 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.771 -4.877 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.059 -4.608 4.197 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.710 -6.745 2.783 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.492 -7.249 1.434 1.00 0.00 C ATOM 1206 C LEU A 83 -3.128 -8.732 1.463 1.00 0.00 C ATOM 1207 O LEU A 83 -3.726 -9.538 0.755 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.359 -6.434 0.764 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.629 -6.302 -0.734 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.489 -5.519 -1.381 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.731 -7.697 -1.357 1.00 0.00 C ATOM 0 H LEU A 83 -3.068 -6.008 3.074 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.412 -7.139 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.292 -5.446 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.400 -6.926 0.928 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.567 -5.771 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.676 -5.421 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.427 -4.528 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.549 -6.048 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.924 -7.605 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.795 -8.234 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.547 -8.246 -0.887 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.147 -9.083 2.284 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.726 -10.473 2.386 1.00 0.00 C ATOM 1225 C VAL A 84 -2.883 -11.326 2.887 1.00 0.00 C ATOM 1226 O VAL A 84 -3.000 -12.498 2.530 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.526 -10.596 3.329 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.930 -10.170 4.734 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.025 -12.045 3.353 1.00 0.00 C ATOM 0 H VAL A 84 -1.634 -8.434 2.881 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.427 -10.827 1.400 1.00 0.00 H new ATOM 0 HB VAL A 84 0.274 -9.948 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.073 -10.259 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.270 -9.135 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.736 -10.811 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.829 -12.124 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.823 -12.700 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.276 -12.342 2.349 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.743 -10.732 3.713 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.889 -11.451 4.242 1.00 0.00 C ATOM 1241 C ALA A 85 -5.794 -11.905 3.101 1.00 0.00 C ATOM 1242 O ALA A 85 -6.352 -13.002 3.137 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.678 -10.543 5.192 1.00 0.00 C ATOM 0 H ALA A 85 -3.665 -9.764 4.025 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.535 -12.326 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.536 -11.087 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.036 -10.233 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.024 -9.663 4.650 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.933 -11.056 2.084 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.777 -11.395 0.937 1.00 0.00 C ATOM 1251 C GLU A 86 -6.430 -12.784 0.411 1.00 0.00 C ATOM 1252 O GLU A 86 -7.230 -13.415 -0.281 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.577 -10.374 -0.189 1.00 0.00 C ATOM 1254 CG GLU A 86 -7.011 -8.992 0.296 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.508 -8.987 0.589 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -9.194 -9.857 0.076 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.944 -8.125 1.332 1.00 0.00 O ATOM 0 H GLU A 86 -5.481 -10.143 2.029 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.816 -11.380 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.531 -10.353 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.158 -10.663 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.456 -8.722 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.778 -8.243 -0.460 1.00 0.00 H new ATOM 1264 N LEU A 87 -5.235 -13.259 0.755 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.779 -14.586 0.330 1.00 0.00 C ATOM 1266 C LEU A 87 -4.675 -15.532 1.521 1.00 0.00 C ATOM 1267 O LEU A 87 -4.616 -16.751 1.357 1.00 0.00 O ATOM 1268 CB LEU A 87 -3.415 -14.484 -0.364 1.00 0.00 C ATOM 1269 CG LEU A 87 -3.178 -15.736 -1.234 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -3.751 -15.505 -2.638 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -1.679 -16.011 -1.337 1.00 0.00 C ATOM 0 H LEU A 87 -4.563 -12.747 1.327 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.512 -14.984 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.377 -13.587 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.624 -14.391 0.380 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.675 -16.591 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.582 -16.391 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.821 -15.312 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.257 -14.648 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.513 -16.896 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.182 -15.154 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.271 -16.180 -0.341 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.651 -14.961 2.723 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.550 -15.749 3.947 1.00 0.00 C ATOM 1285 C ARG A 88 -5.685 -15.399 4.906 1.00 0.00 C ATOM 1286 O ARG A 88 -5.755 -14.282 5.417 1.00 0.00 O ATOM 1287 CB ARG A 88 -3.181 -15.492 4.610 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.248 -15.811 6.107 1.00 0.00 C ATOM 1289 CD ARG A 88 -1.845 -15.890 6.691 1.00 0.00 C ATOM 1290 NE ARG A 88 -1.921 -16.195 8.117 1.00 0.00 N ATOM 1291 CZ ARG A 88 -2.012 -17.451 8.550 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -2.045 -18.437 7.693 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -2.078 -17.697 9.830 1.00 0.00 N ATOM 0 H ARG A 88 -4.700 -13.954 2.875 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.634 -16.807 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.417 -16.107 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.889 -14.452 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.822 -15.043 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.768 -16.756 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.269 -16.658 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.324 -14.945 6.539 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.904 -15.432 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.001 -18.245 6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.115 -19.399 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.060 -16.927 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.148 -18.659 10.161 1.00 0.00 H new ATOM 1307 N SER A 89 -6.553 -16.369 5.163 1.00 0.00 N ATOM 1308 CA SER A 89 -7.661 -16.155 6.078 1.00 0.00 C ATOM 1309 C SER A 89 -8.529 -15.001 5.597 1.00 0.00 C ATOM 1310 O SER A 89 -8.068 -14.130 4.860 1.00 0.00 O ATOM 1311 CB SER A 89 -7.127 -15.848 7.479 1.00 0.00 C ATOM 1312 OG SER A 89 -6.875 -14.453 7.590 1.00 0.00 O ATOM 0 H SER A 89 -6.511 -17.302 4.754 1.00 0.00 H new ATOM 0 HA SER A 89 -8.266 -17.061 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.850 -16.160 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.212 -16.410 7.663 1.00 0.00 H new ATOM 0 HG SER A 89 -6.246 -14.177 6.891 1.00 0.00 H new ATOM 1318 N ALA A 90 -9.790 -15.001 6.020 1.00 0.00 N ATOM 1319 CA ALA A 90 -10.725 -13.947 5.630 1.00 0.00 C ATOM 1320 C ALA A 90 -10.878 -12.926 6.752 1.00 0.00 C ATOM 1321 O ALA A 90 -11.736 -12.068 6.633 1.00 0.00 O ATOM 1322 CB ALA A 90 -12.089 -14.560 5.306 1.00 0.00 C ATOM 1323 OXT ALA A 90 -10.133 -13.018 7.715 1.00 0.00 O ATOM 0 H ALA A 90 -10.188 -15.715 6.630 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.332 -13.443 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.783 -13.771 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.983 -15.270 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.474 -15.076 6.185 1.00 0.00 H new TER 1329 ALA A 90