USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 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 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -111:sc= 0 (180deg=-0.0552) 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 -19:sc= 0.696 USER MOD Single : A 22 CYS SG : rot 147:sc= -1.42 USER MOD Single : A 26 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 42 SER OG : rot 80:sc= -1.67! USER MOD Single : A 43 TYR OH : rot 180:sc= -1.95! 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= -0.129 USER MOD Single : A 60 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.32) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 73 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00721 USER MOD Single : A 80 SER OG : rot -74:sc= 0.662 USER MOD Single : A 81 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 89 SER OG : rot 180:sc= -0.27! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.777 -13.996 -6.075 1.00 0.00 N ATOM 2 CA GLY A 1 19.273 -13.957 -7.480 1.00 0.00 C ATOM 3 C GLY A 1 18.138 -13.536 -8.410 1.00 0.00 C ATOM 4 O GLY A 1 18.032 -12.368 -8.782 1.00 0.00 O ATOM 0 H1 GLY A 1 19.550 -14.283 -5.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.437 -13.052 -5.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.997 -14.680 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.104 -13.257 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.651 -14.937 -7.771 1.00 0.00 H new ATOM 10 N HIS A 2 17.295 -14.494 -8.779 1.00 0.00 N ATOM 11 CA HIS A 2 16.174 -14.207 -9.665 1.00 0.00 C ATOM 12 C HIS A 2 15.081 -13.459 -8.907 1.00 0.00 C ATOM 13 O HIS A 2 14.655 -13.885 -7.834 1.00 0.00 O ATOM 14 CB HIS A 2 15.610 -15.516 -10.235 1.00 0.00 C ATOM 15 CG HIS A 2 14.347 -15.237 -11.006 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.363 -14.684 -12.276 1.00 0.00 N ATOM 17 CD2 HIS A 2 13.022 -15.427 -10.696 1.00 0.00 C ATOM 18 CE1 HIS A 2 13.086 -14.561 -12.681 1.00 0.00 C ATOM 19 NE2 HIS A 2 12.227 -15.000 -11.756 1.00 0.00 N ATOM 0 H HIS A 2 17.365 -15.467 -8.482 1.00 0.00 H new ATOM 0 HA HIS A 2 16.526 -13.581 -10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 2 16.347 -15.987 -10.886 1.00 0.00 H new ATOM 0 HB3 HIS A 2 15.405 -16.217 -9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.653 -15.844 -9.771 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.791 -14.156 -13.638 1.00 0.00 H new ATOM 0 HE2 HIS A 2 11.209 -15.018 -11.814 1.00 0.00 H new ATOM 28 N MET A 3 14.630 -12.345 -9.473 1.00 0.00 N ATOM 29 CA MET A 3 13.584 -11.552 -8.838 1.00 0.00 C ATOM 30 C MET A 3 12.218 -12.191 -9.073 1.00 0.00 C ATOM 31 O MET A 3 11.733 -12.241 -10.203 1.00 0.00 O ATOM 32 CB MET A 3 13.590 -10.129 -9.400 1.00 0.00 C ATOM 33 CG MET A 3 14.850 -9.399 -8.927 1.00 0.00 C ATOM 34 SD MET A 3 14.848 -7.700 -9.560 1.00 0.00 S ATOM 35 CE MET A 3 15.492 -8.059 -11.213 1.00 0.00 C ATOM 0 H MET A 3 14.968 -11.974 -10.361 1.00 0.00 H new ATOM 0 HA MET A 3 13.779 -11.516 -7.766 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.560 -10.157 -10.489 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.700 -9.592 -9.070 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.890 -9.391 -7.838 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.739 -9.926 -9.275 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.499 -7.652 -11.308 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.521 -9.138 -11.366 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.845 -7.603 -11.962 1.00 0.00 H new ATOM 45 N SER A 4 11.605 -12.673 -7.998 1.00 0.00 N ATOM 46 CA SER A 4 10.293 -13.306 -8.099 1.00 0.00 C ATOM 47 C SER A 4 9.190 -12.253 -8.170 1.00 0.00 C ATOM 48 O SER A 4 9.165 -11.312 -7.376 1.00 0.00 O ATOM 49 CB SER A 4 10.057 -14.215 -6.893 1.00 0.00 C ATOM 50 OG SER A 4 8.757 -14.780 -6.979 1.00 0.00 O ATOM 0 H SER A 4 11.990 -12.639 -7.054 1.00 0.00 H new ATOM 0 HA SER A 4 10.269 -13.901 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.808 -15.004 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.158 -13.646 -5.969 1.00 0.00 H new ATOM 0 HG SER A 4 8.603 -15.365 -6.208 1.00 0.00 H new ATOM 56 N ASP A 5 8.279 -12.418 -9.125 1.00 0.00 N ATOM 57 CA ASP A 5 7.176 -11.474 -9.289 1.00 0.00 C ATOM 58 C ASP A 5 6.060 -11.774 -8.288 1.00 0.00 C ATOM 59 O ASP A 5 5.941 -11.097 -7.267 1.00 0.00 O ATOM 60 CB ASP A 5 6.642 -11.541 -10.725 1.00 0.00 C ATOM 61 CG ASP A 5 6.387 -12.990 -11.125 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.715 -13.865 -10.341 1.00 0.00 O ATOM 63 OD2 ASP A 5 5.867 -13.203 -12.208 1.00 0.00 O ATOM 0 H ASP A 5 8.281 -13.189 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 5 7.544 -10.466 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.719 -10.966 -10.805 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.360 -11.088 -11.409 1.00 0.00 H new ATOM 68 N LEU A 6 5.261 -12.800 -8.574 1.00 0.00 N ATOM 69 CA LEU A 6 4.172 -13.186 -7.685 1.00 0.00 C ATOM 70 C LEU A 6 3.497 -14.458 -8.175 1.00 0.00 C ATOM 71 O LEU A 6 3.028 -15.266 -7.378 1.00 0.00 O ATOM 72 CB LEU A 6 3.127 -12.057 -7.569 1.00 0.00 C ATOM 73 CG LEU A 6 2.263 -11.936 -8.835 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.134 -10.934 -8.570 1.00 0.00 C ATOM 75 CD2 LEU A 6 3.124 -11.437 -9.997 1.00 0.00 C ATOM 0 H LEU A 6 5.348 -13.376 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 6 4.602 -13.370 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.485 -12.245 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.635 -11.110 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 6 1.844 -12.909 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.514 -10.840 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.523 -11.286 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.561 -9.963 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.511 -11.352 -10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.541 -10.461 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.935 -12.142 -10.178 1.00 0.00 H new ATOM 87 N SER A 7 3.460 -14.624 -9.496 1.00 0.00 N ATOM 88 CA SER A 7 2.836 -15.796 -10.103 1.00 0.00 C ATOM 89 C SER A 7 1.564 -16.182 -9.342 1.00 0.00 C ATOM 90 O SER A 7 1.438 -17.298 -8.838 1.00 0.00 O ATOM 91 CB SER A 7 3.828 -16.952 -10.093 1.00 0.00 C ATOM 92 OG SER A 7 3.380 -17.971 -10.979 1.00 0.00 O ATOM 0 H SER A 7 3.854 -13.962 -10.165 1.00 0.00 H new ATOM 0 HA SER A 7 2.558 -15.563 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.815 -16.601 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.927 -17.351 -9.084 1.00 0.00 H new ATOM 0 HG SER A 7 4.019 -18.714 -10.973 1.00 0.00 H new ATOM 98 N THR A 8 0.625 -15.239 -9.271 1.00 0.00 N ATOM 99 CA THR A 8 -0.647 -15.457 -8.581 1.00 0.00 C ATOM 100 C THR A 8 -0.421 -15.904 -7.140 1.00 0.00 C ATOM 101 O THR A 8 -1.365 -16.189 -6.407 1.00 0.00 O ATOM 102 CB THR A 8 -1.456 -16.519 -9.329 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.538 -16.163 -10.701 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.868 -16.624 -8.742 1.00 0.00 C ATOM 0 H THR A 8 0.722 -14.312 -9.685 1.00 0.00 H new ATOM 0 HA THR A 8 -1.196 -14.516 -8.563 1.00 0.00 H new ATOM 0 HB THR A 8 -0.960 -17.484 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.054 -16.841 -11.185 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.432 -17.383 -9.284 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.805 -16.901 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.373 -15.662 -8.834 1.00 0.00 H new ATOM 112 N ALA A 9 0.841 -15.977 -6.750 1.00 0.00 N ATOM 113 CA ALA A 9 1.218 -16.405 -5.406 1.00 0.00 C ATOM 114 C ALA A 9 2.137 -15.373 -4.757 1.00 0.00 C ATOM 115 O ALA A 9 3.240 -15.701 -4.318 1.00 0.00 O ATOM 116 CB ALA A 9 1.937 -17.744 -5.506 1.00 0.00 C ATOM 0 H ALA A 9 1.632 -15.743 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 9 0.324 -16.504 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.225 -18.077 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.273 -18.481 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.828 -17.633 -6.123 1.00 0.00 H new ATOM 122 N PRO A 10 1.702 -14.143 -4.688 1.00 0.00 N ATOM 123 CA PRO A 10 2.500 -13.037 -4.078 1.00 0.00 C ATOM 124 C PRO A 10 2.983 -13.379 -2.670 1.00 0.00 C ATOM 125 O PRO A 10 2.390 -14.211 -1.985 1.00 0.00 O ATOM 126 CB PRO A 10 1.528 -11.832 -4.064 1.00 0.00 C ATOM 127 CG PRO A 10 0.170 -12.381 -4.402 1.00 0.00 C ATOM 128 CD PRO A 10 0.406 -13.665 -5.191 1.00 0.00 C ATOM 0 HA PRO A 10 3.411 -12.837 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.520 -11.350 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.834 -11.077 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.404 -12.582 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.403 -11.664 -4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.386 -14.394 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.437 -13.477 -6.264 1.00 0.00 H new ATOM 136 N THR A 11 4.064 -12.720 -2.247 1.00 0.00 N ATOM 137 CA THR A 11 4.634 -12.939 -0.918 1.00 0.00 C ATOM 138 C THR A 11 4.572 -11.646 -0.115 1.00 0.00 C ATOM 139 O THR A 11 4.570 -10.550 -0.676 1.00 0.00 O ATOM 140 CB THR A 11 6.095 -13.378 -1.040 1.00 0.00 C ATOM 141 OG1 THR A 11 6.192 -14.466 -1.947 1.00 0.00 O ATOM 142 CG2 THR A 11 6.617 -13.806 0.333 1.00 0.00 C ATOM 0 H THR A 11 4.562 -12.029 -2.808 1.00 0.00 H new ATOM 0 HA THR A 11 4.061 -13.717 -0.414 1.00 0.00 H new ATOM 0 HB THR A 11 6.693 -12.545 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.128 -14.744 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.658 -14.119 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.547 -12.968 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.019 -14.637 0.707 1.00 0.00 H new ATOM 150 N LEU A 12 4.486 -11.789 1.196 1.00 0.00 N ATOM 151 CA LEU A 12 4.380 -10.637 2.080 1.00 0.00 C ATOM 152 C LEU A 12 5.479 -9.625 1.778 1.00 0.00 C ATOM 153 O LEU A 12 5.246 -8.415 1.817 1.00 0.00 O ATOM 154 CB LEU A 12 4.515 -11.089 3.538 1.00 0.00 C ATOM 155 CG LEU A 12 3.214 -11.748 4.002 1.00 0.00 C ATOM 156 CD1 LEU A 12 2.996 -13.060 3.233 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.310 -12.040 5.502 1.00 0.00 C ATOM 0 H LEU A 12 4.487 -12.690 1.674 1.00 0.00 H new ATOM 0 HA LEU A 12 3.408 -10.171 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.343 -11.791 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.746 -10.234 4.173 1.00 0.00 H new ATOM 0 HG LEU A 12 2.375 -11.079 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.069 -13.527 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.934 -12.850 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.830 -13.735 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.387 -12.510 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.148 -12.711 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.463 -11.107 6.045 1.00 0.00 H new ATOM 169 N ASP A 13 6.674 -10.117 1.486 1.00 0.00 N ATOM 170 CA ASP A 13 7.782 -9.221 1.195 1.00 0.00 C ATOM 171 C ASP A 13 7.526 -8.445 -0.089 1.00 0.00 C ATOM 172 O ASP A 13 7.814 -7.259 -0.154 1.00 0.00 O ATOM 173 CB ASP A 13 9.099 -9.981 1.046 1.00 0.00 C ATOM 174 CG ASP A 13 9.202 -11.073 2.104 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.974 -10.773 3.264 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.501 -12.198 1.736 1.00 0.00 O ATOM 0 H ASP A 13 6.899 -11.111 1.445 1.00 0.00 H new ATOM 0 HA ASP A 13 7.859 -8.534 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.162 -10.422 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.938 -9.291 1.142 1.00 0.00 H new ATOM 181 N SER A 14 6.988 -9.112 -1.113 1.00 0.00 N ATOM 182 CA SER A 14 6.731 -8.437 -2.380 1.00 0.00 C ATOM 183 C SER A 14 5.671 -7.360 -2.226 1.00 0.00 C ATOM 184 O SER A 14 5.765 -6.296 -2.837 1.00 0.00 O ATOM 185 CB SER A 14 6.315 -9.431 -3.453 1.00 0.00 C ATOM 186 OG SER A 14 5.179 -10.164 -3.012 1.00 0.00 O ATOM 0 H SER A 14 6.728 -10.098 -1.089 1.00 0.00 H new ATOM 0 HA SER A 14 7.661 -7.960 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.084 -8.905 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.138 -10.112 -3.670 1.00 0.00 H new ATOM 0 HG SER A 14 5.104 -10.096 -2.037 1.00 0.00 H new ATOM 192 N LEU A 15 4.658 -7.619 -1.423 1.00 0.00 N ATOM 193 CA LEU A 15 3.626 -6.621 -1.225 1.00 0.00 C ATOM 194 C LEU A 15 4.183 -5.492 -0.349 1.00 0.00 C ATOM 195 O LEU A 15 4.335 -4.361 -0.810 1.00 0.00 O ATOM 196 CB LEU A 15 2.392 -7.282 -0.595 1.00 0.00 C ATOM 197 CG LEU A 15 1.570 -8.056 -1.659 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.461 -8.768 -2.700 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.736 -9.117 -0.939 1.00 0.00 C ATOM 0 H LEU A 15 4.528 -8.490 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 15 3.320 -6.189 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.705 -7.965 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.766 -6.521 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 15 0.951 -7.333 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.832 -9.293 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.071 -8.031 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.110 -9.484 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.149 -9.675 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.398 -9.800 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.067 -8.633 -0.228 1.00 0.00 H new ATOM 211 N ARG A 16 4.493 -5.798 0.905 1.00 0.00 N ATOM 212 CA ARG A 16 5.024 -4.778 1.817 1.00 0.00 C ATOM 213 C ARG A 16 5.977 -3.829 1.079 1.00 0.00 C ATOM 214 O ARG A 16 5.804 -2.598 1.117 1.00 0.00 O ATOM 215 CB ARG A 16 5.756 -5.460 2.983 1.00 0.00 C ATOM 216 CG ARG A 16 6.412 -4.411 3.921 1.00 0.00 C ATOM 217 CD ARG A 16 7.891 -4.180 3.555 1.00 0.00 C ATOM 218 NE ARG A 16 8.564 -3.481 4.645 1.00 0.00 N ATOM 219 CZ ARG A 16 8.464 -2.164 4.776 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.762 -1.476 3.919 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.065 -1.560 5.761 1.00 0.00 N ATOM 0 H ARG A 16 4.390 -6.727 1.314 1.00 0.00 H new ATOM 0 HA ARG A 16 4.192 -4.190 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.053 -6.071 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.520 -6.132 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.867 -3.469 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.339 -4.749 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.382 -5.134 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.962 -3.596 2.637 1.00 0.00 H new ATOM 0 HE ARG A 16 9.119 -4.012 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.290 -1.950 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.685 -0.464 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.613 -2.099 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.988 -0.548 5.862 1.00 0.00 H new ATOM 235 N VAL A 17 6.967 -4.396 0.385 1.00 0.00 N ATOM 236 CA VAL A 17 7.916 -3.579 -0.362 1.00 0.00 C ATOM 237 C VAL A 17 7.168 -2.767 -1.445 1.00 0.00 C ATOM 238 O VAL A 17 7.518 -1.618 -1.711 1.00 0.00 O ATOM 239 CB VAL A 17 9.003 -4.467 -1.001 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.660 -5.393 0.065 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.359 -5.307 -2.091 1.00 0.00 C ATOM 0 H VAL A 17 7.128 -5.402 0.327 1.00 0.00 H new ATOM 0 HA VAL A 17 8.404 -2.885 0.322 1.00 0.00 H new ATOM 0 HB VAL A 17 9.785 -3.835 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.423 -6.010 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.118 -4.783 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.899 -6.035 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.114 -5.942 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.578 -5.930 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.923 -4.652 -2.845 1.00 0.00 H new ATOM 251 N TRP A 18 6.132 -3.367 -2.065 1.00 0.00 N ATOM 252 CA TRP A 18 5.356 -2.657 -3.105 1.00 0.00 C ATOM 253 C TRP A 18 4.741 -1.366 -2.544 1.00 0.00 C ATOM 254 O TRP A 18 4.848 -0.303 -3.148 1.00 0.00 O ATOM 255 CB TRP A 18 4.229 -3.575 -3.680 1.00 0.00 C ATOM 256 CG TRP A 18 2.852 -3.072 -3.293 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.071 -3.569 -2.296 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.090 -1.974 -3.871 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.918 -2.842 -2.219 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.875 -1.856 -3.159 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.322 -1.071 -4.923 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.060 -0.894 -3.465 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.372 -0.099 -5.236 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.185 -0.018 -4.504 1.00 0.00 C ATOM 0 H TRP A 18 5.818 -4.318 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 18 6.042 -2.396 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.311 -3.616 -4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.363 -4.592 -3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.324 -4.408 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.177 -3.016 -1.539 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.239 -1.130 -5.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.977 -0.825 -2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.554 0.592 -6.046 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.547 0.736 -4.753 1.00 0.00 H new ATOM 275 N LEU A 19 4.079 -1.490 -1.399 1.00 0.00 N ATOM 276 CA LEU A 19 3.414 -0.349 -0.766 1.00 0.00 C ATOM 277 C LEU A 19 4.399 0.782 -0.487 1.00 0.00 C ATOM 278 O LEU A 19 4.213 1.905 -0.968 1.00 0.00 O ATOM 279 CB LEU A 19 2.765 -0.830 0.555 1.00 0.00 C ATOM 280 CG LEU A 19 1.223 -0.970 0.407 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.733 -2.200 1.169 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.531 0.292 0.957 1.00 0.00 C ATOM 0 H LEU A 19 3.987 -2.368 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 19 2.653 0.041 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.193 -1.789 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.994 -0.124 1.353 1.00 0.00 H new ATOM 0 HG LEU A 19 0.977 -1.085 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.348 -2.289 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.213 -3.092 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.983 -2.097 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.549 0.190 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.783 0.415 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.869 1.165 0.399 1.00 0.00 H new ATOM 294 N VAL A 20 5.447 0.496 0.278 1.00 0.00 N ATOM 295 CA VAL A 20 6.426 1.533 0.585 1.00 0.00 C ATOM 296 C VAL A 20 7.037 2.060 -0.704 1.00 0.00 C ATOM 297 O VAL A 20 7.124 3.269 -0.909 1.00 0.00 O ATOM 298 CB VAL A 20 7.514 0.969 1.506 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.107 -0.295 0.886 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.621 2.006 1.696 1.00 0.00 C ATOM 0 H VAL A 20 5.638 -0.419 0.687 1.00 0.00 H new ATOM 0 HA VAL A 20 5.931 2.357 1.099 1.00 0.00 H new ATOM 0 HB VAL A 20 7.073 0.729 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.880 -0.694 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.322 -1.039 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.543 -0.055 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.391 1.600 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.060 2.251 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.202 2.907 2.144 1.00 0.00 H new ATOM 310 N ASP A 21 7.461 1.147 -1.569 1.00 0.00 N ATOM 311 CA ASP A 21 8.063 1.546 -2.832 1.00 0.00 C ATOM 312 C ASP A 21 7.084 2.390 -3.646 1.00 0.00 C ATOM 313 O ASP A 21 7.488 3.322 -4.345 1.00 0.00 O ATOM 314 CB ASP A 21 8.465 0.309 -3.634 1.00 0.00 C ATOM 315 CG ASP A 21 9.116 0.731 -4.946 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.186 1.313 -4.895 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.533 0.466 -5.985 1.00 0.00 O ATOM 0 H ASP A 21 7.400 0.140 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 21 8.951 2.142 -2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.157 -0.302 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.588 -0.306 -3.834 1.00 0.00 H new ATOM 322 N CYS A 22 5.794 2.068 -3.547 1.00 0.00 N ATOM 323 CA CYS A 22 4.779 2.822 -4.275 1.00 0.00 C ATOM 324 C CYS A 22 4.779 4.275 -3.832 1.00 0.00 C ATOM 325 O CYS A 22 4.816 5.184 -4.662 1.00 0.00 O ATOM 326 CB CYS A 22 3.386 2.240 -4.044 1.00 0.00 C ATOM 327 SG CYS A 22 2.227 3.017 -5.199 1.00 0.00 S ATOM 0 H CYS A 22 5.433 1.302 -2.978 1.00 0.00 H new ATOM 0 HA CYS A 22 5.023 2.756 -5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.399 1.160 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.069 2.417 -3.016 1.00 0.00 H new ATOM 0 HG CYS A 22 1.310 2.160 -5.536 1.00 0.00 H new ATOM 333 N VAL A 23 4.732 4.498 -2.520 1.00 0.00 N ATOM 334 CA VAL A 23 4.723 5.863 -2.007 1.00 0.00 C ATOM 335 C VAL A 23 6.024 6.569 -2.408 1.00 0.00 C ATOM 336 O VAL A 23 6.000 7.706 -2.870 1.00 0.00 O ATOM 337 CB VAL A 23 4.622 5.870 -0.480 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.538 7.322 0.061 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.397 5.077 -0.015 1.00 0.00 C ATOM 0 H VAL A 23 4.700 3.768 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 23 3.860 6.379 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 23 5.522 5.398 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.467 7.302 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.431 7.872 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.657 7.813 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.344 5.095 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.494 5.526 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.480 4.046 -0.358 1.00 0.00 H new ATOM 349 N ALA A 24 7.165 5.906 -2.200 1.00 0.00 N ATOM 350 CA ALA A 24 8.449 6.519 -2.531 1.00 0.00 C ATOM 351 C ALA A 24 8.412 7.083 -3.945 1.00 0.00 C ATOM 352 O ALA A 24 8.722 8.252 -4.163 1.00 0.00 O ATOM 353 CB ALA A 24 9.571 5.483 -2.432 1.00 0.00 C ATOM 0 H ALA A 24 7.225 4.965 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 24 8.638 7.326 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.523 5.952 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.615 5.090 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.376 4.667 -3.128 1.00 0.00 H new ATOM 359 N GLY A 25 8.037 6.240 -4.898 1.00 0.00 N ATOM 360 CA GLY A 25 7.968 6.668 -6.292 1.00 0.00 C ATOM 361 C GLY A 25 6.971 7.812 -6.458 1.00 0.00 C ATOM 362 O GLY A 25 7.229 8.772 -7.188 1.00 0.00 O ATOM 0 H GLY A 25 7.778 5.267 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.954 6.987 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.673 5.828 -6.921 1.00 0.00 H new ATOM 366 N HIS A 26 5.823 7.693 -5.795 1.00 0.00 N ATOM 367 CA HIS A 26 4.777 8.708 -5.890 1.00 0.00 C ATOM 368 C HIS A 26 5.285 10.084 -5.473 1.00 0.00 C ATOM 369 O HIS A 26 5.176 11.048 -6.232 1.00 0.00 O ATOM 370 CB HIS A 26 3.616 8.310 -4.966 1.00 0.00 C ATOM 371 CG HIS A 26 2.661 9.458 -4.783 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.240 10.246 -5.840 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.066 9.977 -3.663 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.427 11.194 -5.339 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.286 11.076 -4.014 1.00 0.00 N ATOM 0 H HIS A 26 5.594 6.906 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 26 4.453 8.765 -6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.087 7.455 -5.387 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.007 7.998 -3.997 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.499 10.129 -6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.184 9.592 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.947 11.957 -5.934 1.00 0.00 H new ATOM 384 N LEU A 27 5.828 10.177 -4.264 1.00 0.00 N ATOM 385 CA LEU A 27 6.329 11.453 -3.773 1.00 0.00 C ATOM 386 C LEU A 27 7.730 11.716 -4.311 1.00 0.00 C ATOM 387 O LEU A 27 8.096 12.860 -4.581 1.00 0.00 O ATOM 388 CB LEU A 27 6.337 11.419 -2.245 1.00 0.00 C ATOM 389 CG LEU A 27 4.901 11.510 -1.701 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.909 11.207 -0.197 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.315 12.919 -1.936 1.00 0.00 C ATOM 0 H LEU A 27 5.931 9.397 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 27 5.683 12.261 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.807 10.499 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.932 12.247 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 27 4.282 10.783 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.893 11.271 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.299 10.203 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.540 11.932 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.299 12.961 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.932 13.659 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.300 13.133 -3.005 1.00 0.00 H new ATOM 403 N GLY A 28 8.512 10.650 -4.466 1.00 0.00 N ATOM 404 CA GLY A 28 9.879 10.757 -4.978 1.00 0.00 C ATOM 405 C GLY A 28 10.909 10.711 -3.849 1.00 0.00 C ATOM 406 O GLY A 28 12.113 10.709 -4.100 1.00 0.00 O ATOM 0 H GLY A 28 8.222 9.698 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.070 9.944 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.988 11.689 -5.533 1.00 0.00 H new ATOM 410 N LEU A 29 10.434 10.685 -2.606 1.00 0.00 N ATOM 411 CA LEU A 29 11.329 10.651 -1.452 1.00 0.00 C ATOM 412 C LEU A 29 12.016 9.289 -1.337 1.00 0.00 C ATOM 413 O LEU A 29 11.839 8.419 -2.192 1.00 0.00 O ATOM 414 CB LEU A 29 10.559 10.955 -0.165 1.00 0.00 C ATOM 415 CG LEU A 29 9.784 12.268 -0.315 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.957 12.518 0.951 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.762 13.436 -0.528 1.00 0.00 C ATOM 0 H LEU A 29 9.441 10.687 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 29 12.092 11.416 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.870 10.140 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.251 11.025 0.674 1.00 0.00 H new ATOM 0 HG LEU A 29 9.122 12.196 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.405 13.452 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.256 11.696 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.621 12.584 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.202 14.365 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.431 13.511 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.347 13.261 -1.431 1.00 0.00 H new ATOM 429 N ASP A 30 12.801 9.119 -0.276 1.00 0.00 N ATOM 430 CA ASP A 30 13.518 7.863 -0.048 1.00 0.00 C ATOM 431 C ASP A 30 12.623 6.845 0.655 1.00 0.00 C ATOM 432 O ASP A 30 12.002 7.148 1.674 1.00 0.00 O ATOM 433 CB ASP A 30 14.762 8.121 0.804 1.00 0.00 C ATOM 434 CG ASP A 30 15.803 8.884 -0.005 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.652 8.952 -1.213 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.737 9.391 0.596 1.00 0.00 O ATOM 0 H ASP A 30 12.958 9.831 0.438 1.00 0.00 H new ATOM 0 HA ASP A 30 13.813 7.459 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.492 8.691 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.179 7.175 1.147 1.00 0.00 H new ATOM 441 N ALA A 31 12.562 5.635 0.102 1.00 0.00 N ATOM 442 CA ALA A 31 11.736 4.577 0.677 1.00 0.00 C ATOM 443 C ALA A 31 12.150 4.247 2.106 1.00 0.00 C ATOM 444 O ALA A 31 11.296 3.982 2.958 1.00 0.00 O ATOM 445 CB ALA A 31 11.828 3.316 -0.184 1.00 0.00 C ATOM 0 H ALA A 31 13.072 5.364 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 31 10.708 4.939 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.209 2.532 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.477 3.537 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.864 2.979 -0.226 1.00 0.00 H new ATOM 451 N ALA A 32 13.448 4.286 2.379 1.00 0.00 N ATOM 452 CA ALA A 32 13.945 3.989 3.717 1.00 0.00 C ATOM 453 C ALA A 32 13.411 4.987 4.738 1.00 0.00 C ATOM 454 O ALA A 32 13.474 4.745 5.943 1.00 0.00 O ATOM 455 CB ALA A 32 15.476 4.033 3.714 1.00 0.00 C ATOM 0 H ALA A 32 14.171 4.518 1.698 1.00 0.00 H new ATOM 0 HA ALA A 32 13.599 2.994 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.848 3.811 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.860 3.293 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.811 5.026 3.414 1.00 0.00 H new ATOM 461 N THR A 33 12.894 6.114 4.251 1.00 0.00 N ATOM 462 CA THR A 33 12.358 7.155 5.134 1.00 0.00 C ATOM 463 C THR A 33 11.008 7.646 4.639 1.00 0.00 C ATOM 464 O THR A 33 10.668 8.819 4.791 1.00 0.00 O ATOM 465 CB THR A 33 13.342 8.333 5.205 1.00 0.00 C ATOM 466 OG1 THR A 33 13.942 8.512 3.934 1.00 0.00 O ATOM 467 CG2 THR A 33 14.430 8.044 6.246 1.00 0.00 C ATOM 0 H THR A 33 12.834 6.331 3.256 1.00 0.00 H new ATOM 0 HA THR A 33 12.226 6.727 6.128 1.00 0.00 H new ATOM 0 HB THR A 33 12.805 9.237 5.493 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.570 9.263 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.123 8.884 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.970 7.902 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.972 7.141 5.965 1.00 0.00 H new ATOM 475 N ILE A 34 10.232 6.760 4.048 1.00 0.00 N ATOM 476 CA ILE A 34 8.930 7.169 3.553 1.00 0.00 C ATOM 477 C ILE A 34 7.959 7.421 4.710 1.00 0.00 C ATOM 478 O ILE A 34 7.611 8.567 4.988 1.00 0.00 O ATOM 479 CB ILE A 34 8.415 6.090 2.572 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.727 6.530 1.133 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.905 5.820 2.705 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.821 7.692 0.700 1.00 0.00 C ATOM 0 H ILE A 34 10.469 5.779 3.901 1.00 0.00 H new ATOM 0 HA ILE A 34 9.011 8.114 3.017 1.00 0.00 H new ATOM 0 HB ILE A 34 8.926 5.160 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.772 6.833 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.592 5.688 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.608 5.053 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.684 5.477 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.352 6.738 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.065 7.982 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.778 7.378 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.976 8.542 1.365 1.00 0.00 H new ATOM 494 N ALA A 35 7.501 6.355 5.351 1.00 0.00 N ATOM 495 CA ALA A 35 6.544 6.482 6.442 1.00 0.00 C ATOM 496 C ALA A 35 5.911 5.126 6.739 1.00 0.00 C ATOM 497 O ALA A 35 4.832 5.059 7.313 1.00 0.00 O ATOM 498 CB ALA A 35 5.446 7.505 6.070 1.00 0.00 C ATOM 0 H ALA A 35 7.775 5.396 5.136 1.00 0.00 H new ATOM 0 HA ALA A 35 7.068 6.834 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.736 7.592 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.903 8.476 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.924 7.169 5.174 1.00 0.00 H new ATOM 504 N THR A 36 6.562 4.046 6.317 1.00 0.00 N ATOM 505 CA THR A 36 6.018 2.706 6.535 1.00 0.00 C ATOM 506 C THR A 36 5.397 2.571 7.927 1.00 0.00 C ATOM 507 O THR A 36 4.426 1.837 8.101 1.00 0.00 O ATOM 508 CB THR A 36 7.133 1.663 6.377 1.00 0.00 C ATOM 509 OG1 THR A 36 7.954 1.659 7.542 1.00 0.00 O ATOM 510 CG2 THR A 36 7.986 1.996 5.151 1.00 0.00 C ATOM 0 H THR A 36 7.457 4.069 5.828 1.00 0.00 H new ATOM 0 HA THR A 36 5.237 2.539 5.793 1.00 0.00 H new ATOM 0 HB THR A 36 6.685 0.678 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.664 0.991 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.776 1.252 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.359 1.990 4.259 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.432 2.983 5.275 1.00 0.00 H new ATOM 518 N ASP A 37 5.954 3.269 8.920 1.00 0.00 N ATOM 519 CA ASP A 37 5.437 3.195 10.291 1.00 0.00 C ATOM 520 C ASP A 37 4.616 4.435 10.633 1.00 0.00 C ATOM 521 O ASP A 37 4.410 4.757 11.803 1.00 0.00 O ATOM 522 CB ASP A 37 6.610 3.082 11.265 1.00 0.00 C ATOM 523 CG ASP A 37 6.100 2.801 12.673 1.00 0.00 C ATOM 524 OD1 ASP A 37 4.971 2.357 12.794 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.847 3.034 13.609 1.00 0.00 O ATOM 0 H ASP A 37 6.757 3.887 8.803 1.00 0.00 H new ATOM 0 HA ASP A 37 4.792 2.320 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.280 2.283 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.189 4.006 11.258 1.00 0.00 H new ATOM 530 N LEU A 38 4.146 5.127 9.599 1.00 0.00 N ATOM 531 CA LEU A 38 3.342 6.340 9.774 1.00 0.00 C ATOM 532 C LEU A 38 2.160 6.338 8.797 1.00 0.00 C ATOM 533 O LEU A 38 2.216 5.703 7.745 1.00 0.00 O ATOM 534 CB LEU A 38 4.218 7.597 9.512 1.00 0.00 C ATOM 535 CG LEU A 38 4.832 8.160 10.822 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.246 7.607 11.013 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.890 9.693 10.736 1.00 0.00 C ATOM 0 H LEU A 38 4.307 4.869 8.625 1.00 0.00 H new ATOM 0 HA LEU A 38 2.965 6.362 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.018 7.343 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.613 8.368 9.034 1.00 0.00 H new ATOM 0 HG LEU A 38 4.214 7.861 11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.671 8.006 11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.206 6.519 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.869 7.901 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.321 10.093 11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.508 9.987 9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.883 10.088 10.605 1.00 0.00 H new ATOM 549 N PRO A 39 1.112 7.054 9.123 1.00 0.00 N ATOM 550 CA PRO A 39 -0.100 7.166 8.255 1.00 0.00 C ATOM 551 C PRO A 39 0.172 7.980 6.984 1.00 0.00 C ATOM 552 O PRO A 39 1.269 8.502 6.791 1.00 0.00 O ATOM 553 CB PRO A 39 -1.120 7.880 9.158 1.00 0.00 C ATOM 554 CG PRO A 39 -0.290 8.670 10.116 1.00 0.00 C ATOM 555 CD PRO A 39 0.959 7.833 10.368 1.00 0.00 C ATOM 0 HA PRO A 39 -0.443 6.195 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.778 8.527 8.578 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.755 7.165 9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.031 9.643 9.699 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.832 8.854 11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.830 8.460 10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.838 7.184 11.235 1.00 0.00 H new ATOM 563 N LEU A 40 -0.847 8.096 6.134 1.00 0.00 N ATOM 564 CA LEU A 40 -0.724 8.861 4.900 1.00 0.00 C ATOM 565 C LEU A 40 -0.701 10.355 5.197 1.00 0.00 C ATOM 566 O LEU A 40 -0.188 11.150 4.412 1.00 0.00 O ATOM 567 CB LEU A 40 -1.896 8.535 3.956 1.00 0.00 C ATOM 568 CG LEU A 40 -3.221 9.101 4.492 1.00 0.00 C ATOM 569 CD1 LEU A 40 -4.305 8.865 3.446 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.605 8.402 5.797 1.00 0.00 C ATOM 0 H LEU A 40 -1.763 7.671 6.279 1.00 0.00 H new ATOM 0 HA LEU A 40 0.213 8.586 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.695 8.948 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.981 7.455 3.838 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.112 10.167 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.253 9.261 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.032 9.370 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.405 7.796 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.545 8.812 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.721 7.333 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.823 8.562 6.539 1.00 0.00 H new ATOM 582 N THR A 41 -1.266 10.736 6.333 1.00 0.00 N ATOM 583 CA THR A 41 -1.318 12.140 6.704 1.00 0.00 C ATOM 584 C THR A 41 0.067 12.764 6.663 1.00 0.00 C ATOM 585 O THR A 41 0.207 13.935 6.315 1.00 0.00 O ATOM 586 CB THR A 41 -1.914 12.291 8.102 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.133 11.554 9.028 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.348 11.758 8.102 1.00 0.00 C ATOM 0 H THR A 41 -1.691 10.099 7.007 1.00 0.00 H new ATOM 0 HA THR A 41 -1.951 12.659 5.984 1.00 0.00 H new ATOM 0 HB THR A 41 -1.918 13.343 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.513 11.651 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.776 11.865 9.099 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.946 12.324 7.388 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.345 10.705 7.819 1.00 0.00 H new ATOM 596 N SER A 42 1.091 12.003 7.039 1.00 0.00 N ATOM 597 CA SER A 42 2.446 12.533 7.051 1.00 0.00 C ATOM 598 C SER A 42 2.805 13.138 5.699 1.00 0.00 C ATOM 599 O SER A 42 3.599 14.075 5.622 1.00 0.00 O ATOM 600 CB SER A 42 3.433 11.416 7.427 1.00 0.00 C ATOM 601 OG SER A 42 3.362 11.189 8.827 1.00 0.00 O ATOM 0 H SER A 42 1.008 11.030 7.335 1.00 0.00 H new ATOM 0 HA SER A 42 2.507 13.327 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.192 10.502 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.447 11.698 7.142 1.00 0.00 H new ATOM 0 HG SER A 42 2.581 10.632 9.029 1.00 0.00 H new ATOM 607 N TYR A 43 2.216 12.609 4.636 1.00 0.00 N ATOM 608 CA TYR A 43 2.493 13.129 3.303 1.00 0.00 C ATOM 609 C TYR A 43 1.819 14.489 3.103 1.00 0.00 C ATOM 610 O TYR A 43 2.068 15.171 2.109 1.00 0.00 O ATOM 611 CB TYR A 43 1.990 12.151 2.236 1.00 0.00 C ATOM 612 CG TYR A 43 2.538 10.749 2.484 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.916 10.536 2.671 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.659 9.653 2.521 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.404 9.243 2.891 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.155 8.360 2.742 1.00 0.00 C ATOM 617 CZ TYR A 43 3.524 8.158 2.927 1.00 0.00 C ATOM 618 OH TYR A 43 4.011 6.885 3.146 1.00 0.00 O ATOM 0 H TYR A 43 1.554 11.833 4.667 1.00 0.00 H new ATOM 0 HA TYR A 43 3.572 13.249 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.900 12.127 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.295 12.496 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.599 11.372 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.599 9.807 2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.463 9.083 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.477 7.520 2.769 1.00 0.00 H new ATOM 0 HH TYR A 43 3.268 6.246 3.142 1.00 0.00 H new ATOM 628 N GLY A 44 0.980 14.882 4.057 1.00 0.00 N ATOM 629 CA GLY A 44 0.297 16.172 3.977 1.00 0.00 C ATOM 630 C GLY A 44 -0.637 16.229 2.777 1.00 0.00 C ATOM 631 O GLY A 44 -0.950 17.310 2.280 1.00 0.00 O ATOM 0 H GLY A 44 0.757 14.333 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.271 16.342 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.034 16.972 3.906 1.00 0.00 H new ATOM 635 N LEU A 45 -1.073 15.071 2.301 1.00 0.00 N ATOM 636 CA LEU A 45 -1.962 15.020 1.143 1.00 0.00 C ATOM 637 C LEU A 45 -3.411 15.374 1.495 1.00 0.00 C ATOM 638 O LEU A 45 -3.933 14.969 2.534 1.00 0.00 O ATOM 639 CB LEU A 45 -1.875 13.624 0.491 1.00 0.00 C ATOM 640 CG LEU A 45 -2.844 12.606 1.145 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.792 11.248 0.398 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.439 12.399 2.606 1.00 0.00 C ATOM 0 H LEU A 45 -0.830 14.161 2.692 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.630 15.777 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.103 13.707 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.854 13.252 0.570 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.860 12.996 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.479 10.546 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.082 11.394 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.779 10.848 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.116 11.684 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.420 12.016 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.493 13.350 3.137 1.00 0.00 H new ATOM 654 N ASP A 46 -4.055 16.121 0.604 1.00 0.00 N ATOM 655 CA ASP A 46 -5.446 16.511 0.810 1.00 0.00 C ATOM 656 C ASP A 46 -6.351 15.281 0.738 1.00 0.00 C ATOM 657 O ASP A 46 -5.929 14.212 0.299 1.00 0.00 O ATOM 658 CB ASP A 46 -5.874 17.526 -0.255 1.00 0.00 C ATOM 659 CG ASP A 46 -5.166 18.860 -0.031 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.597 19.035 1.034 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.205 19.686 -0.928 1.00 0.00 O ATOM 0 H ASP A 46 -3.640 16.466 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.537 16.968 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.637 17.143 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.954 17.669 -0.218 1.00 0.00 H new ATOM 666 N SER A 47 -7.594 15.434 1.177 1.00 0.00 N ATOM 667 CA SER A 47 -8.542 14.326 1.159 1.00 0.00 C ATOM 668 C SER A 47 -8.791 13.837 -0.268 1.00 0.00 C ATOM 669 O SER A 47 -9.014 12.649 -0.496 1.00 0.00 O ATOM 670 CB SER A 47 -9.864 14.763 1.790 1.00 0.00 C ATOM 671 OG SER A 47 -9.693 14.892 3.195 1.00 0.00 O ATOM 0 H SER A 47 -7.968 16.308 1.547 1.00 0.00 H new ATOM 0 HA SER A 47 -8.115 13.505 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.188 15.712 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.643 14.033 1.572 1.00 0.00 H new ATOM 0 HG SER A 47 -10.538 15.174 3.603 1.00 0.00 H new ATOM 677 N VAL A 48 -8.755 14.762 -1.219 1.00 0.00 N ATOM 678 CA VAL A 48 -8.978 14.420 -2.620 1.00 0.00 C ATOM 679 C VAL A 48 -7.825 13.586 -3.171 1.00 0.00 C ATOM 680 O VAL A 48 -7.994 12.824 -4.121 1.00 0.00 O ATOM 681 CB VAL A 48 -9.132 15.696 -3.449 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.432 16.405 -3.063 1.00 0.00 C ATOM 683 CG2 VAL A 48 -7.949 16.625 -3.167 1.00 0.00 C ATOM 0 H VAL A 48 -8.574 15.751 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.892 13.829 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.158 15.440 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.540 17.314 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.278 15.744 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.406 16.662 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.054 17.536 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.930 16.878 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.020 16.123 -3.437 1.00 0.00 H new ATOM 693 N TYR A 49 -6.656 13.732 -2.565 1.00 0.00 N ATOM 694 CA TYR A 49 -5.485 12.979 -3.005 1.00 0.00 C ATOM 695 C TYR A 49 -5.712 11.476 -2.824 1.00 0.00 C ATOM 696 O TYR A 49 -5.455 10.684 -3.730 1.00 0.00 O ATOM 697 CB TYR A 49 -4.246 13.437 -2.198 1.00 0.00 C ATOM 698 CG TYR A 49 -3.143 13.915 -3.121 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.373 14.989 -3.986 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.889 13.292 -3.098 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.349 15.439 -4.827 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.871 13.738 -3.933 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.096 14.814 -4.799 1.00 0.00 C ATOM 704 OH TYR A 49 -0.087 15.254 -5.628 1.00 0.00 O ATOM 0 H TYR A 49 -6.491 14.357 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.316 13.171 -4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.528 14.239 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.881 12.612 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.339 15.471 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.712 12.462 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.525 16.268 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.094 13.254 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 49 0.716 14.712 -5.481 1.00 0.00 H new ATOM 714 N ALA A 50 -6.179 11.092 -1.643 1.00 0.00 N ATOM 715 CA ALA A 50 -6.411 9.682 -1.355 1.00 0.00 C ATOM 716 C ALA A 50 -7.328 9.067 -2.403 1.00 0.00 C ATOM 717 O ALA A 50 -7.091 7.959 -2.873 1.00 0.00 O ATOM 718 CB ALA A 50 -7.039 9.527 0.033 1.00 0.00 C ATOM 0 H ALA A 50 -6.402 11.728 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.453 9.163 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.209 8.470 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.367 9.940 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.989 10.060 0.064 1.00 0.00 H new ATOM 724 N LEU A 51 -8.373 9.790 -2.770 1.00 0.00 N ATOM 725 CA LEU A 51 -9.315 9.291 -3.764 1.00 0.00 C ATOM 726 C LEU A 51 -8.596 8.824 -5.028 1.00 0.00 C ATOM 727 O LEU A 51 -8.693 7.658 -5.425 1.00 0.00 O ATOM 728 CB LEU A 51 -10.304 10.409 -4.127 1.00 0.00 C ATOM 729 CG LEU A 51 -11.195 9.998 -5.335 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.656 10.371 -5.053 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.735 10.736 -6.608 1.00 0.00 C ATOM 0 H LEU A 51 -8.591 10.715 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.843 8.438 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.934 10.635 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.756 11.320 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.106 8.922 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.276 10.081 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.998 9.850 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.733 11.447 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.365 10.441 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.816 11.812 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.698 10.477 -6.824 1.00 0.00 H new ATOM 743 N SER A 52 -7.883 9.743 -5.657 1.00 0.00 N ATOM 744 CA SER A 52 -7.168 9.435 -6.883 1.00 0.00 C ATOM 745 C SER A 52 -5.998 8.504 -6.614 1.00 0.00 C ATOM 746 O SER A 52 -5.800 7.512 -7.317 1.00 0.00 O ATOM 747 CB SER A 52 -6.662 10.735 -7.495 1.00 0.00 C ATOM 748 OG SER A 52 -7.769 11.515 -7.928 1.00 0.00 O ATOM 0 H SER A 52 -7.784 10.707 -5.339 1.00 0.00 H new ATOM 0 HA SER A 52 -7.846 8.932 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.076 11.290 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.002 10.521 -8.336 1.00 0.00 H new ATOM 0 HG SER A 52 -7.445 12.353 -8.320 1.00 0.00 H new ATOM 754 N ILE A 53 -5.219 8.836 -5.600 1.00 0.00 N ATOM 755 CA ILE A 53 -4.059 8.035 -5.247 1.00 0.00 C ATOM 756 C ILE A 53 -4.483 6.634 -4.816 1.00 0.00 C ATOM 757 O ILE A 53 -4.064 5.643 -5.413 1.00 0.00 O ATOM 758 CB ILE A 53 -3.307 8.749 -4.115 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.902 10.174 -4.580 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.065 7.941 -3.703 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.570 10.141 -5.345 1.00 0.00 C ATOM 0 H ILE A 53 -5.367 9.653 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.406 7.926 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.960 8.831 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.683 10.589 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.814 10.832 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.543 8.461 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.371 6.954 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.399 7.835 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.307 11.150 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.787 9.748 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.670 9.501 -6.222 1.00 0.00 H new ATOM 773 N ALA A 54 -5.319 6.557 -3.785 1.00 0.00 N ATOM 774 CA ALA A 54 -5.777 5.262 -3.299 1.00 0.00 C ATOM 775 C ALA A 54 -6.350 4.451 -4.453 1.00 0.00 C ATOM 776 O ALA A 54 -6.206 3.228 -4.489 1.00 0.00 O ATOM 777 CB ALA A 54 -6.844 5.432 -2.215 1.00 0.00 C ATOM 0 H ALA A 54 -5.687 7.362 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.924 4.737 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.170 4.451 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.427 5.992 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.696 5.974 -2.625 1.00 0.00 H new ATOM 783 N ALA A 55 -6.972 5.151 -5.408 1.00 0.00 N ATOM 784 CA ALA A 55 -7.544 4.491 -6.582 1.00 0.00 C ATOM 785 C ALA A 55 -6.437 3.934 -7.482 1.00 0.00 C ATOM 786 O ALA A 55 -6.545 2.829 -8.009 1.00 0.00 O ATOM 787 CB ALA A 55 -8.397 5.483 -7.375 1.00 0.00 C ATOM 0 H ALA A 55 -7.091 6.164 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.168 3.665 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.819 4.984 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.204 5.855 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.776 6.318 -7.700 1.00 0.00 H new ATOM 793 N GLU A 56 -5.384 4.722 -7.671 1.00 0.00 N ATOM 794 CA GLU A 56 -4.270 4.304 -8.525 1.00 0.00 C ATOM 795 C GLU A 56 -3.565 3.084 -7.929 1.00 0.00 C ATOM 796 O GLU A 56 -3.278 2.103 -8.626 1.00 0.00 O ATOM 797 CB GLU A 56 -3.264 5.450 -8.674 1.00 0.00 C ATOM 798 CG GLU A 56 -2.202 5.071 -9.710 1.00 0.00 C ATOM 799 CD GLU A 56 -1.165 6.183 -9.828 1.00 0.00 C ATOM 800 OE1 GLU A 56 -0.295 6.246 -8.974 1.00 0.00 O ATOM 801 OE2 GLU A 56 -1.253 6.955 -10.769 1.00 0.00 O ATOM 0 H GLU A 56 -5.275 5.645 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.669 4.040 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.778 6.361 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.792 5.660 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.716 4.139 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.672 4.898 -10.678 1.00 0.00 H new ATOM 808 N LEU A 57 -3.299 3.149 -6.631 1.00 0.00 N ATOM 809 CA LEU A 57 -2.630 2.052 -5.947 1.00 0.00 C ATOM 810 C LEU A 57 -3.433 0.768 -6.105 1.00 0.00 C ATOM 811 O LEU A 57 -2.952 -0.188 -6.689 1.00 0.00 O ATOM 812 CB LEU A 57 -2.491 2.400 -4.452 1.00 0.00 C ATOM 813 CG LEU A 57 -1.245 3.285 -4.212 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.581 4.740 -4.517 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.807 3.171 -2.749 1.00 0.00 C ATOM 0 H LEU A 57 -3.534 3.943 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.642 1.902 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.385 2.921 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.412 1.484 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.440 2.950 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.701 5.360 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.893 4.831 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.390 5.071 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.071 3.795 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.617 3.503 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.563 2.133 -2.522 1.00 0.00 H new ATOM 827 N GLU A 58 -4.652 0.753 -5.592 1.00 0.00 N ATOM 828 CA GLU A 58 -5.480 -0.445 -5.692 1.00 0.00 C ATOM 829 C GLU A 58 -5.691 -0.854 -7.148 1.00 0.00 C ATOM 830 O GLU A 58 -5.766 -2.044 -7.461 1.00 0.00 O ATOM 831 CB GLU A 58 -6.825 -0.203 -5.008 1.00 0.00 C ATOM 832 CG GLU A 58 -7.516 1.051 -5.597 1.00 0.00 C ATOM 833 CD GLU A 58 -8.525 0.669 -6.679 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.172 -0.118 -7.539 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.627 1.192 -6.644 1.00 0.00 O ATOM 0 H GLU A 58 -5.087 1.539 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.962 -1.262 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.467 -1.074 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.676 -0.074 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.022 1.598 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.765 1.720 -6.017 1.00 0.00 H new ATOM 842 N ASP A 59 -5.792 0.128 -8.036 1.00 0.00 N ATOM 843 CA ASP A 59 -5.999 -0.162 -9.452 1.00 0.00 C ATOM 844 C ASP A 59 -4.817 -0.960 -10.003 1.00 0.00 C ATOM 845 O ASP A 59 -4.964 -1.727 -10.953 1.00 0.00 O ATOM 846 CB ASP A 59 -6.146 1.149 -10.242 1.00 0.00 C ATOM 847 CG ASP A 59 -7.570 1.697 -10.129 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.417 1.003 -9.593 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.789 2.810 -10.575 1.00 0.00 O ATOM 0 H ASP A 59 -5.735 1.120 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.910 -0.751 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.437 1.887 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.900 0.976 -11.290 1.00 0.00 H new ATOM 854 N HIS A 60 -3.649 -0.784 -9.390 1.00 0.00 N ATOM 855 CA HIS A 60 -2.461 -1.514 -9.839 1.00 0.00 C ATOM 856 C HIS A 60 -2.547 -2.994 -9.439 1.00 0.00 C ATOM 857 O HIS A 60 -2.094 -3.864 -10.179 1.00 0.00 O ATOM 858 CB HIS A 60 -1.171 -0.883 -9.272 1.00 0.00 C ATOM 859 CG HIS A 60 -0.738 0.261 -10.153 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.467 0.091 -11.502 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.551 1.596 -9.897 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.138 1.294 -12.004 1.00 0.00 C ATOM 863 NE2 HIS A 60 -0.174 2.247 -11.069 1.00 0.00 N ATOM 0 H HIS A 60 -3.498 -0.158 -8.599 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.424 -1.448 -10.926 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.344 -0.528 -8.256 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.381 -1.632 -9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.677 2.069 -8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.123 1.468 -13.037 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.031 3.239 -11.188 1.00 0.00 H new ATOM 872 N LEU A 61 -3.114 -3.280 -8.260 1.00 0.00 N ATOM 873 CA LEU A 61 -3.221 -4.667 -7.789 1.00 0.00 C ATOM 874 C LEU A 61 -4.581 -5.269 -8.141 1.00 0.00 C ATOM 875 O LEU A 61 -4.972 -6.292 -7.578 1.00 0.00 O ATOM 876 CB LEU A 61 -3.015 -4.756 -6.266 1.00 0.00 C ATOM 877 CG LEU A 61 -1.682 -4.118 -5.844 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.522 -4.732 -6.622 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.728 -2.606 -6.084 1.00 0.00 C ATOM 0 H LEU A 61 -3.500 -2.582 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.437 -5.233 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.838 -4.255 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.035 -5.800 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.527 -4.309 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.413 -4.267 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.478 -5.803 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.671 -4.565 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.780 -2.161 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.900 -2.411 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.537 -2.169 -5.498 1.00 0.00 H new ATOM 891 N ASP A 62 -5.299 -4.653 -9.081 1.00 0.00 N ATOM 892 CA ASP A 62 -6.600 -5.179 -9.492 1.00 0.00 C ATOM 893 C ASP A 62 -7.507 -5.410 -8.295 1.00 0.00 C ATOM 894 O ASP A 62 -7.968 -6.527 -8.065 1.00 0.00 O ATOM 895 CB ASP A 62 -6.408 -6.501 -10.220 1.00 0.00 C ATOM 896 CG ASP A 62 -5.790 -6.258 -11.594 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.752 -5.112 -12.009 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.361 -7.222 -12.206 1.00 0.00 O ATOM 0 H ASP A 62 -5.008 -3.804 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.066 -4.444 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.765 -7.158 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.367 -7.008 -10.328 1.00 0.00 H new ATOM 903 N VAL A 63 -7.755 -4.358 -7.534 1.00 0.00 N ATOM 904 CA VAL A 63 -8.600 -4.463 -6.352 1.00 0.00 C ATOM 905 C VAL A 63 -9.283 -3.134 -6.068 1.00 0.00 C ATOM 906 O VAL A 63 -8.848 -2.099 -6.554 1.00 0.00 O ATOM 907 CB VAL A 63 -7.734 -4.882 -5.150 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.449 -6.379 -5.214 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.393 -4.143 -5.192 1.00 0.00 C ATOM 0 H VAL A 63 -7.386 -3.424 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.372 -5.213 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.272 -4.638 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.836 -6.669 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.389 -6.930 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.918 -6.609 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.785 -4.444 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.870 -4.391 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.569 -3.068 -5.151 1.00 0.00 H new ATOM 919 N SER A 64 -10.366 -3.169 -5.295 1.00 0.00 N ATOM 920 CA SER A 64 -11.107 -1.952 -4.952 1.00 0.00 C ATOM 921 C SER A 64 -11.085 -1.750 -3.439 1.00 0.00 C ATOM 922 O SER A 64 -11.196 -2.712 -2.679 1.00 0.00 O ATOM 923 CB SER A 64 -12.552 -2.063 -5.439 1.00 0.00 C ATOM 924 OG SER A 64 -13.274 -0.906 -5.038 1.00 0.00 O ATOM 0 H SER A 64 -10.751 -4.024 -4.894 1.00 0.00 H new ATOM 0 HA SER A 64 -10.636 -1.098 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.575 -2.162 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.019 -2.958 -5.027 1.00 0.00 H new ATOM 0 HG SER A 64 -14.200 -0.974 -5.350 1.00 0.00 H new ATOM 930 N LEU A 65 -10.933 -0.501 -3.003 1.00 0.00 N ATOM 931 CA LEU A 65 -10.888 -0.192 -1.570 1.00 0.00 C ATOM 932 C LEU A 65 -12.190 0.469 -1.138 1.00 0.00 C ATOM 933 O LEU A 65 -12.924 1.010 -1.963 1.00 0.00 O ATOM 934 CB LEU A 65 -9.722 0.754 -1.264 1.00 0.00 C ATOM 935 CG LEU A 65 -8.479 0.304 -2.023 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.300 1.245 -1.700 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.122 -1.129 -1.634 1.00 0.00 C ATOM 0 H LEU A 65 -10.839 0.310 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.750 -1.124 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.984 1.773 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.521 0.764 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.682 0.341 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.414 0.919 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.555 2.262 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.097 1.220 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.233 -1.444 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.926 -1.177 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.952 -1.791 -1.881 1.00 0.00 H new ATOM 949 N ASP A 66 -12.468 0.422 0.161 1.00 0.00 N ATOM 950 CA ASP A 66 -13.685 1.022 0.705 1.00 0.00 C ATOM 951 C ASP A 66 -13.381 2.416 1.265 1.00 0.00 C ATOM 952 O ASP A 66 -12.238 2.728 1.580 1.00 0.00 O ATOM 953 CB ASP A 66 -14.256 0.101 1.806 1.00 0.00 C ATOM 954 CG ASP A 66 -15.492 -0.653 1.304 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.356 -1.410 0.357 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.553 -0.456 1.872 1.00 0.00 O ATOM 0 H ASP A 66 -11.870 -0.024 0.856 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.426 1.131 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.494 -0.612 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.518 0.694 2.682 1.00 0.00 H new ATOM 961 N PRO A 67 -14.381 3.249 1.391 1.00 0.00 N ATOM 962 CA PRO A 67 -14.211 4.638 1.917 1.00 0.00 C ATOM 963 C PRO A 67 -13.628 4.660 3.333 1.00 0.00 C ATOM 964 O PRO A 67 -12.450 4.966 3.525 1.00 0.00 O ATOM 965 CB PRO A 67 -15.641 5.219 1.886 1.00 0.00 C ATOM 966 CG PRO A 67 -16.549 4.030 1.824 1.00 0.00 C ATOM 967 CD PRO A 67 -15.783 2.964 1.052 1.00 0.00 C ATOM 0 HA PRO A 67 -13.503 5.216 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.841 5.820 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.783 5.868 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.805 3.681 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.485 4.278 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.075 1.959 1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.961 3.037 -0.021 1.00 0.00 H new ATOM 975 N THR A 68 -14.463 4.354 4.318 1.00 0.00 N ATOM 976 CA THR A 68 -14.025 4.362 5.712 1.00 0.00 C ATOM 977 C THR A 68 -12.903 3.352 5.932 1.00 0.00 C ATOM 978 O THR A 68 -12.184 3.417 6.928 1.00 0.00 O ATOM 979 CB THR A 68 -15.205 4.021 6.634 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.720 3.377 7.805 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.177 3.084 5.910 1.00 0.00 C ATOM 0 H THR A 68 -15.441 4.099 4.181 1.00 0.00 H new ATOM 0 HA THR A 68 -13.652 5.359 5.947 1.00 0.00 H new ATOM 0 HB THR A 68 -15.723 4.940 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.472 3.160 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.012 2.846 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.552 3.573 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.659 2.165 5.634 1.00 0.00 H new ATOM 989 N LEU A 69 -12.754 2.430 4.990 1.00 0.00 N ATOM 990 CA LEU A 69 -11.705 1.421 5.086 1.00 0.00 C ATOM 991 C LEU A 69 -10.329 2.050 4.877 1.00 0.00 C ATOM 992 O LEU A 69 -9.377 1.734 5.584 1.00 0.00 O ATOM 993 CB LEU A 69 -11.949 0.322 4.049 1.00 0.00 C ATOM 994 CG LEU A 69 -10.890 -0.790 4.199 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.401 -2.065 3.521 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.534 -0.368 3.575 1.00 0.00 C ATOM 0 H LEU A 69 -13.340 2.359 4.158 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.730 0.984 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.948 -0.096 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.907 0.743 3.044 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.726 -0.971 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.657 -2.855 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.332 -2.380 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.578 -1.869 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.810 -1.174 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.671 -0.162 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.167 0.529 4.075 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.227 2.949 3.905 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.951 3.598 3.625 1.00 0.00 C ATOM 1010 C ILE A 70 -8.456 4.325 4.866 1.00 0.00 C ATOM 1011 O ILE A 70 -7.271 4.267 5.196 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.093 4.569 2.444 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.292 3.770 1.148 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.825 5.421 2.323 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.846 4.681 0.047 1.00 0.00 C ATOM 0 H ILE A 70 -10.999 3.242 3.306 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.218 2.838 3.353 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.953 5.218 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.344 3.337 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.978 2.941 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.928 6.109 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.679 5.988 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.965 4.772 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.983 4.104 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.804 5.093 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.145 5.495 -0.139 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.363 4.996 5.560 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.988 5.705 6.773 1.00 0.00 C ATOM 1029 C TRP A 71 -8.761 4.707 7.911 1.00 0.00 C ATOM 1030 O TRP A 71 -8.292 5.077 8.987 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.080 6.710 7.155 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.076 7.841 6.174 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -11.039 8.079 5.254 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.071 8.881 5.994 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.690 9.203 4.523 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.485 9.731 4.941 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.852 9.166 6.636 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.716 10.826 4.540 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.077 10.267 6.236 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.508 11.093 5.189 1.00 0.00 C ATOM 0 H TRP A 71 -10.349 5.064 5.309 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.061 6.250 6.594 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.054 6.221 7.160 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.907 7.087 8.163 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.933 7.490 5.113 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.255 9.593 3.768 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.510 8.534 7.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.053 11.461 3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.144 10.478 6.738 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.906 11.936 4.884 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.082 3.432 7.656 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.890 2.380 8.659 1.00 0.00 C ATOM 1053 C ASP A 72 -7.476 1.817 8.568 1.00 0.00 C ATOM 1054 O ASP A 72 -6.870 1.466 9.580 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.893 1.238 8.456 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.907 0.343 9.693 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.910 0.320 10.396 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.917 -0.303 9.923 1.00 0.00 O ATOM 0 H ASP A 72 -9.472 3.107 6.771 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.050 2.825 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.889 1.643 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.622 0.655 7.576 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.959 1.722 7.338 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.612 1.190 7.102 1.00 0.00 C ATOM 1065 C HIS A 73 -4.698 2.248 6.470 1.00 0.00 C ATOM 1066 O HIS A 73 -4.126 2.029 5.404 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.705 -0.025 6.175 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.738 -0.981 6.707 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.070 -1.038 8.052 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.526 -1.920 6.087 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.021 -1.981 8.195 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.335 -2.549 7.027 1.00 0.00 N ATOM 0 H HIS A 73 -7.452 2.006 6.492 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.183 0.900 8.061 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.972 0.292 5.167 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.736 -0.520 6.107 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.667 -0.470 8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.518 -2.137 5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.475 -2.246 9.139 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.544 3.379 7.116 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.674 4.498 6.623 1.00 0.00 C ATOM 1083 C PRO A 74 -2.185 4.153 6.686 1.00 0.00 C ATOM 1084 O PRO A 74 -1.342 4.927 6.232 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.001 5.646 7.590 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.420 4.963 8.847 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.188 3.729 8.390 1.00 0.00 C ATOM 0 HA PRO A 74 -3.864 4.733 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.134 6.286 7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.796 6.281 7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.557 4.688 9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.046 5.613 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.113 2.918 9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.249 3.942 8.259 1.00 0.00 H new ATOM 1095 N THR A 75 -1.873 2.992 7.253 1.00 0.00 N ATOM 1096 CA THR A 75 -0.479 2.550 7.384 1.00 0.00 C ATOM 1097 C THR A 75 -0.195 1.372 6.452 1.00 0.00 C ATOM 1098 O THR A 75 -1.108 0.679 6.005 1.00 0.00 O ATOM 1099 CB THR A 75 -0.201 2.140 8.838 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.300 1.386 9.330 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.013 3.390 9.707 1.00 0.00 C ATOM 0 H THR A 75 -2.560 2.339 7.629 1.00 0.00 H new ATOM 0 HA THR A 75 0.175 3.377 7.106 1.00 0.00 H new ATOM 0 HB THR A 75 0.707 1.538 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.126 1.121 10.257 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.184 3.091 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.829 3.971 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.918 3.997 9.672 1.00 0.00 H new ATOM 1109 N ILE A 76 1.088 1.147 6.187 1.00 0.00 N ATOM 1110 CA ILE A 76 1.510 0.042 5.333 1.00 0.00 C ATOM 1111 C ILE A 76 1.239 -1.292 6.015 1.00 0.00 C ATOM 1112 O ILE A 76 0.804 -2.249 5.377 1.00 0.00 O ATOM 1113 CB ILE A 76 2.997 0.181 4.971 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.162 1.398 4.042 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.501 -1.090 4.264 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.599 1.493 3.507 1.00 0.00 C ATOM 0 H ILE A 76 1.853 1.715 6.551 1.00 0.00 H new ATOM 0 HA ILE A 76 0.931 0.075 4.410 1.00 0.00 H new ATOM 0 HB ILE A 76 3.583 0.319 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.464 1.320 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.911 2.310 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.556 -0.974 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.377 -1.948 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.928 -1.250 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.687 2.361 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.292 1.595 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.838 0.590 2.945 1.00 0.00 H new ATOM 1128 N ASP A 77 1.520 -1.358 7.309 1.00 0.00 N ATOM 1129 CA ASP A 77 1.319 -2.590 8.055 1.00 0.00 C ATOM 1130 C ASP A 77 -0.103 -3.116 7.870 1.00 0.00 C ATOM 1131 O ASP A 77 -0.298 -4.289 7.543 1.00 0.00 O ATOM 1132 CB ASP A 77 1.586 -2.337 9.541 1.00 0.00 C ATOM 1133 CG ASP A 77 1.286 -3.593 10.350 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.856 -4.625 10.040 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.489 -3.503 11.270 1.00 0.00 O ATOM 0 H ASP A 77 1.884 -0.580 7.859 1.00 0.00 H new ATOM 0 HA ASP A 77 2.013 -3.340 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.625 -2.041 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.968 -1.512 9.894 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.098 -2.251 8.067 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.492 -2.662 7.910 1.00 0.00 C ATOM 1142 C ALA A 78 -2.810 -2.976 6.446 1.00 0.00 C ATOM 1143 O ALA A 78 -3.419 -4.001 6.141 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.421 -1.549 8.416 1.00 0.00 C ATOM 0 H ALA A 78 -0.968 -1.275 8.332 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.651 -3.567 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.459 -1.859 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.218 -1.357 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.246 -0.640 7.841 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.411 -2.079 5.547 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.680 -2.258 4.121 1.00 0.00 C ATOM 1152 C LEU A 79 -2.035 -3.556 3.624 1.00 0.00 C ATOM 1153 O LEU A 79 -2.664 -4.334 2.908 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.107 -1.048 3.350 1.00 0.00 C ATOM 1155 CG LEU A 79 -3.001 -0.655 2.149 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.350 -1.886 1.288 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.307 0.020 2.657 1.00 0.00 C ATOM 0 H LEU A 79 -1.903 -1.225 5.778 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.755 -2.322 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.012 -0.198 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.104 -1.285 2.994 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.445 0.049 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.979 -1.579 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.433 -2.335 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.885 -2.615 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.930 0.293 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.851 -0.675 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.056 0.916 3.225 1.00 0.00 H new ATOM 1169 N SER A 80 -0.779 -3.782 4.006 1.00 0.00 N ATOM 1170 CA SER A 80 -0.073 -4.989 3.587 1.00 0.00 C ATOM 1171 C SER A 80 -0.806 -6.221 4.102 1.00 0.00 C ATOM 1172 O SER A 80 -1.015 -7.180 3.364 1.00 0.00 O ATOM 1173 CB SER A 80 1.360 -4.977 4.122 1.00 0.00 C ATOM 1174 OG SER A 80 1.332 -4.903 5.541 1.00 0.00 O ATOM 0 H SER A 80 -0.236 -3.153 4.598 1.00 0.00 H new ATOM 0 HA SER A 80 -0.042 -5.018 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.887 -5.877 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.906 -4.127 3.713 1.00 0.00 H new ATOM 0 HG SER A 80 1.084 -3.996 5.816 1.00 0.00 H new ATOM 1180 N THR A 81 -1.193 -6.178 5.375 1.00 0.00 N ATOM 1181 CA THR A 81 -1.906 -7.299 5.982 1.00 0.00 C ATOM 1182 C THR A 81 -3.171 -7.601 5.184 1.00 0.00 C ATOM 1183 O THR A 81 -3.497 -8.759 4.912 1.00 0.00 O ATOM 1184 CB THR A 81 -2.287 -6.967 7.426 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.110 -6.775 8.198 1.00 0.00 O ATOM 1186 CG2 THR A 81 -3.109 -8.118 8.011 1.00 0.00 C ATOM 0 H THR A 81 -1.027 -5.389 6.000 1.00 0.00 H new ATOM 0 HA THR A 81 -1.252 -8.171 5.976 1.00 0.00 H new ATOM 0 HB THR A 81 -2.880 -6.052 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.698 -5.918 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.382 -7.884 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.013 -8.257 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.518 -9.034 7.992 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.884 -6.551 4.809 1.00 0.00 N ATOM 1195 CA ALA A 82 -5.103 -6.720 4.036 1.00 0.00 C ATOM 1196 C ALA A 82 -4.776 -7.212 2.625 1.00 0.00 C ATOM 1197 O ALA A 82 -5.477 -8.076 2.076 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.860 -5.391 3.954 1.00 0.00 C ATOM 0 H ALA A 82 -3.643 -5.583 5.024 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.728 -7.462 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.772 -5.527 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.117 -5.056 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.231 -4.643 3.472 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.707 -6.669 2.032 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.323 -7.062 0.686 1.00 0.00 C ATOM 1206 C LEU A 83 -2.966 -8.545 0.645 1.00 0.00 C ATOM 1207 O LEU A 83 -3.483 -9.285 -0.186 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.118 -6.206 0.231 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.168 -5.967 -1.281 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.917 -5.191 -1.709 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.239 -7.307 -2.018 1.00 0.00 C ATOM 0 H LEU A 83 -3.105 -5.967 2.461 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.161 -6.896 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.124 -5.251 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.187 -6.709 0.495 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.056 -5.386 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.947 -5.018 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.886 -4.234 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.027 -5.769 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.274 -7.130 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.358 -7.902 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.135 -7.845 -1.709 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.081 -8.980 1.539 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.690 -10.386 1.557 1.00 0.00 C ATOM 1225 C VAL A 84 -2.910 -11.250 1.839 1.00 0.00 C ATOM 1226 O VAL A 84 -3.030 -12.355 1.308 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.600 -10.647 2.607 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.137 -10.344 4.002 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.152 -12.113 2.546 1.00 0.00 C ATOM 0 H VAL A 84 -1.631 -8.396 2.244 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.280 -10.643 0.581 1.00 0.00 H new ATOM 0 HB VAL A 84 0.250 -9.999 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.358 -10.532 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.443 -9.299 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.995 -10.984 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.621 -12.289 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.004 -12.763 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.246 -12.331 1.555 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.822 -10.747 2.668 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.024 -11.497 2.987 1.00 0.00 C ATOM 1241 C ALA A 85 -5.765 -11.856 1.700 1.00 0.00 C ATOM 1242 O ALA A 85 -6.315 -12.951 1.577 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.937 -10.661 3.890 1.00 0.00 C ATOM 0 H ALA A 85 -3.750 -9.837 3.123 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.744 -12.412 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.836 -11.230 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.411 -10.416 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.214 -9.741 3.375 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.775 -10.926 0.739 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.455 -11.171 -0.541 1.00 0.00 C ATOM 1251 C GLU A 86 -6.039 -12.529 -1.122 1.00 0.00 C ATOM 1252 O GLU A 86 -6.734 -13.088 -1.973 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.111 -10.075 -1.563 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.617 -8.714 -1.078 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.142 -8.711 -0.999 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.753 -9.550 -1.640 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.677 -7.866 -0.299 1.00 0.00 O ATOM 0 H GLU A 86 -5.329 -10.012 0.818 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.528 -11.165 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.032 -10.036 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.560 -10.314 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.195 -8.490 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.280 -7.931 -1.757 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.898 -13.050 -0.659 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.381 -14.346 -1.129 1.00 0.00 C ATOM 1266 C LEU A 87 -4.512 -15.396 -0.022 1.00 0.00 C ATOM 1267 O LEU A 87 -4.460 -16.599 -0.280 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.898 -14.185 -1.553 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.564 -15.019 -2.808 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -2.853 -16.497 -2.542 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -3.382 -14.526 -4.020 1.00 0.00 C ATOM 0 H LEU A 87 -4.312 -12.596 0.042 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.962 -14.680 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.689 -13.133 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.250 -14.490 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.505 -14.898 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.615 -17.080 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.243 -16.843 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.908 -16.623 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.133 -15.126 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.446 -14.623 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.146 -13.480 -4.218 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.690 -14.921 1.213 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.833 -15.800 2.377 1.00 0.00 C ATOM 1285 C ARG A 88 -6.047 -15.392 3.220 1.00 0.00 C ATOM 1286 O ARG A 88 -6.114 -14.274 3.726 1.00 0.00 O ATOM 1287 CB ARG A 88 -3.540 -15.733 3.224 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.839 -16.034 4.702 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.539 -16.317 5.455 1.00 0.00 C ATOM 1290 NE ARG A 88 -2.828 -16.701 6.838 1.00 0.00 N ATOM 1291 CZ ARG A 88 -3.134 -17.957 7.160 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -3.141 -18.883 6.239 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -3.417 -18.267 8.398 1.00 0.00 N ATOM 0 H ARG A 88 -4.739 -13.926 1.434 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.992 -16.823 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.812 -16.449 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.091 -14.744 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.354 -15.188 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.507 -16.892 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.988 -17.114 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.902 -15.432 5.441 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.794 -15.992 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.912 -18.644 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.375 -19.845 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.404 -17.547 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.651 -19.229 8.642 1.00 0.00 H new ATOM 1307 N SER A 89 -6.989 -16.315 3.394 1.00 0.00 N ATOM 1308 CA SER A 89 -8.171 -16.037 4.206 1.00 0.00 C ATOM 1309 C SER A 89 -7.844 -16.231 5.685 1.00 0.00 C ATOM 1310 O SER A 89 -7.902 -15.287 6.475 1.00 0.00 O ATOM 1311 CB SER A 89 -9.306 -16.978 3.804 1.00 0.00 C ATOM 1312 OG SER A 89 -9.043 -18.277 4.321 1.00 0.00 O ATOM 0 H SER A 89 -6.959 -17.251 2.989 1.00 0.00 H new ATOM 0 HA SER A 89 -8.481 -15.005 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.256 -16.606 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.395 -17.017 2.718 1.00 0.00 H new ATOM 0 HG SER A 89 -9.770 -18.884 4.067 1.00 0.00 H new ATOM 1318 N ALA A 90 -7.504 -17.462 6.054 1.00 0.00 N ATOM 1319 CA ALA A 90 -7.170 -17.771 7.439 1.00 0.00 C ATOM 1320 C ALA A 90 -6.392 -19.079 7.517 1.00 0.00 C ATOM 1321 O ALA A 90 -6.019 -19.585 6.471 1.00 0.00 O ATOM 1322 CB ALA A 90 -8.447 -17.882 8.275 1.00 0.00 C ATOM 1323 OXT ALA A 90 -6.178 -19.556 8.619 1.00 0.00 O ATOM 0 H ALA A 90 -7.453 -18.257 5.417 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.551 -16.966 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.187 -18.113 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.988 -16.936 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.077 -18.676 7.873 1.00 0.00 H new TER 1329 ALA A 90