USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN :FLIP amide:sc= -3.04 F(o=-8.4!,f=-3) USER MOD Set 1.2: A 86 THR OG1 : rot -170:sc= 0.0455! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.66!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 21:sc= 0.44! USER MOD Single : A 19 MET CE :methyl 165:sc= -0.0131 (180deg=-0.354) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -127:sc= -1.2 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -23.9! C(o=-24!,f=-27!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 15:sc= -0.656! USER MOD Single : A 42 MET CE :methyl 157:sc= -0.63 (180deg=-2.42!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00311) USER MOD Single : A 53 GLN : amide:sc= -1.1! X(o=-1.1!,f=-1.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 15:sc= -3.21! USER MOD Single : A 79 ASN : amide:sc= -22.7! C(o=-23!,f=-27!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 70:sc= -3.75! USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0493 (180deg=-0.486) USER MOD Single : A 95 THR OG1 : rot -141:sc= 0.214 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -1.91 F(o=-4.5!,f=-1.9) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= -6.18! (180deg=-6.61!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.214 USER MOD Single : A 118 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.026) USER MOD Single : A 120 SER OG : rot 180:sc= -1.7! USER MOD Single : A 121 LYS NZ :NH3+ -144:sc= -0.464 (180deg=-2.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.403 18.251 2.927 1.00 0.00 N ATOM 2 CA GLY A 1 11.776 17.625 4.126 1.00 0.00 C ATOM 3 C GLY A 1 10.259 17.552 3.931 1.00 0.00 C ATOM 4 O GLY A 1 9.670 16.490 3.967 1.00 0.00 O ATOM 0 H1 GLY A 1 13.433 18.300 3.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.190 17.679 2.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.024 19.211 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.182 16.625 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.011 18.206 5.018 1.00 0.00 H new ATOM 10 N SER A 2 9.622 18.673 3.724 1.00 0.00 N ATOM 11 CA SER A 2 8.143 18.666 3.526 1.00 0.00 C ATOM 12 C SER A 2 7.442 18.132 4.779 1.00 0.00 C ATOM 13 O SER A 2 7.162 16.955 4.888 1.00 0.00 O ATOM 14 CB SER A 2 7.910 17.729 2.340 1.00 0.00 C ATOM 15 OG SER A 2 6.869 18.247 1.522 1.00 0.00 O ATOM 0 H SER A 2 10.061 19.593 3.683 1.00 0.00 H new ATOM 0 HA SER A 2 7.745 19.664 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.826 17.626 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.645 16.733 2.696 1.00 0.00 H new ATOM 0 HG SER A 2 6.721 17.647 0.761 1.00 0.00 H new ATOM 21 N HIS A 3 7.151 18.987 5.725 1.00 0.00 N ATOM 22 CA HIS A 3 6.465 18.516 6.965 1.00 0.00 C ATOM 23 C HIS A 3 4.965 18.339 6.702 1.00 0.00 C ATOM 24 O HIS A 3 4.440 17.246 6.789 1.00 0.00 O ATOM 25 CB HIS A 3 6.711 19.606 8.010 1.00 0.00 C ATOM 26 CG HIS A 3 7.065 18.962 9.324 1.00 0.00 C ATOM 27 ND1 HIS A 3 7.828 17.808 9.397 1.00 0.00 N ATOM 28 CD2 HIS A 3 6.762 19.293 10.622 1.00 0.00 C ATOM 29 CE1 HIS A 3 7.957 17.488 10.698 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.327 18.360 11.487 1.00 0.00 N ATOM 0 H HIS A 3 7.357 19.985 5.693 1.00 0.00 H new ATOM 0 HA HIS A 3 6.844 17.551 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.518 20.263 7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.821 20.225 8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.175 20.147 10.925 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.504 16.630 11.059 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.271 18.346 12.505 1.00 0.00 H new ATOM 38 N MET A 4 4.270 19.397 6.372 1.00 0.00 N ATOM 39 CA MET A 4 2.808 19.262 6.099 1.00 0.00 C ATOM 40 C MET A 4 2.577 18.086 5.148 1.00 0.00 C ATOM 41 O MET A 4 3.483 17.646 4.468 1.00 0.00 O ATOM 42 CB MET A 4 2.397 20.578 5.437 1.00 0.00 C ATOM 43 CG MET A 4 3.313 20.859 4.244 1.00 0.00 C ATOM 44 SD MET A 4 2.806 22.402 3.444 1.00 0.00 S ATOM 45 CE MET A 4 3.039 21.867 1.731 1.00 0.00 C ATOM 0 H MET A 4 4.647 20.340 6.280 1.00 0.00 H new ATOM 0 HA MET A 4 2.228 19.073 7.003 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.360 20.523 5.107 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.459 21.394 6.157 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.349 20.932 4.576 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.264 20.035 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.778 22.683 1.056 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.081 21.587 1.576 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.398 21.009 1.527 1.00 0.00 H new ATOM 55 N THR A 5 1.381 17.569 5.088 1.00 0.00 N ATOM 56 CA THR A 5 1.127 16.426 4.176 1.00 0.00 C ATOM 57 C THR A 5 -0.106 16.688 3.318 1.00 0.00 C ATOM 58 O THR A 5 -1.020 17.387 3.709 1.00 0.00 O ATOM 59 CB THR A 5 0.891 15.220 5.082 1.00 0.00 C ATOM 60 OG1 THR A 5 0.095 15.608 6.196 1.00 0.00 O ATOM 61 CG2 THR A 5 2.232 14.676 5.577 1.00 0.00 C ATOM 0 H THR A 5 0.576 17.887 5.628 1.00 0.00 H new ATOM 0 HA THR A 5 1.963 16.266 3.495 1.00 0.00 H new ATOM 0 HB THR A 5 0.373 14.444 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.057 14.832 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.059 13.815 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.839 14.373 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.755 15.451 6.137 1.00 0.00 H new ATOM 69 N GLU A 6 -0.128 16.119 2.152 1.00 0.00 N ATOM 70 CA GLU A 6 -1.295 16.306 1.238 1.00 0.00 C ATOM 71 C GLU A 6 -1.213 15.346 0.034 1.00 0.00 C ATOM 72 O GLU A 6 -2.025 15.405 -0.866 1.00 0.00 O ATOM 73 CB GLU A 6 -1.192 17.759 0.768 1.00 0.00 C ATOM 74 CG GLU A 6 0.097 17.946 -0.037 1.00 0.00 C ATOM 75 CD GLU A 6 -0.172 18.871 -1.227 1.00 0.00 C ATOM 76 OE1 GLU A 6 -0.645 19.972 -1.000 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.102 18.464 -2.344 1.00 0.00 O ATOM 0 H GLU A 6 0.616 15.526 1.784 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.241 16.095 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.056 18.016 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.198 18.431 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.876 18.369 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.462 16.981 -0.388 1.00 0.00 H new ATOM 84 N ARG A 7 -0.236 14.469 0.026 1.00 0.00 N ATOM 85 CA ARG A 7 -0.049 13.490 -1.095 1.00 0.00 C ATOM 86 C ARG A 7 1.413 13.018 -1.093 1.00 0.00 C ATOM 87 O ARG A 7 1.757 12.003 -1.666 1.00 0.00 O ATOM 88 CB ARG A 7 -0.357 14.247 -2.394 1.00 0.00 C ATOM 89 CG ARG A 7 -1.652 13.698 -3.000 1.00 0.00 C ATOM 90 CD ARG A 7 -2.203 14.688 -4.030 1.00 0.00 C ATOM 91 NE ARG A 7 -1.094 14.901 -5.000 1.00 0.00 N ATOM 92 CZ ARG A 7 -1.229 15.779 -5.956 1.00 0.00 C ATOM 93 NH1 ARG A 7 -1.968 16.837 -5.771 1.00 0.00 N ATOM 94 NH2 ARG A 7 -0.625 15.598 -7.099 1.00 0.00 N ATOM 0 H ARG A 7 0.458 14.389 0.769 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.698 12.620 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.459 15.313 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.466 14.133 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.463 12.734 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.389 13.529 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.088 14.289 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.498 15.625 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.232 14.363 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.441 16.979 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.073 17.523 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.047 14.770 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.731 16.284 -7.846 1.00 0.00 H new ATOM 108 N ARG A 8 2.269 13.767 -0.443 1.00 0.00 N ATOM 109 CA ARG A 8 3.716 13.416 -0.364 1.00 0.00 C ATOM 110 C ARG A 8 3.952 12.287 0.652 1.00 0.00 C ATOM 111 O ARG A 8 5.075 11.987 1.005 1.00 0.00 O ATOM 112 CB ARG A 8 4.400 14.708 0.088 1.00 0.00 C ATOM 113 CG ARG A 8 4.931 15.458 -1.135 1.00 0.00 C ATOM 114 CD ARG A 8 4.175 16.780 -1.297 1.00 0.00 C ATOM 115 NE ARG A 8 3.382 16.621 -2.549 1.00 0.00 N ATOM 116 CZ ARG A 8 3.993 16.510 -3.697 1.00 0.00 C ATOM 117 NH1 ARG A 8 5.085 17.187 -3.924 1.00 0.00 N ATOM 118 NH2 ARG A 8 3.512 15.722 -4.620 1.00 0.00 N ATOM 0 H ARG A 8 2.017 14.626 0.046 1.00 0.00 H new ATOM 0 HA ARG A 8 4.105 13.053 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.694 15.334 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.218 14.479 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.998 15.650 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.810 14.847 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.527 16.971 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.864 17.622 -1.370 1.00 0.00 H new ATOM 0 HE ARG A 8 2.363 16.599 -2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.462 17.804 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.562 17.100 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.658 15.193 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.990 15.636 -5.517 1.00 0.00 H new ATOM 132 N LEU A 9 2.902 11.680 1.141 1.00 0.00 N ATOM 133 CA LEU A 9 3.060 10.593 2.152 1.00 0.00 C ATOM 134 C LEU A 9 3.958 9.466 1.629 1.00 0.00 C ATOM 135 O LEU A 9 4.850 9.689 0.837 1.00 0.00 O ATOM 136 CB LEU A 9 1.646 10.073 2.392 1.00 0.00 C ATOM 137 CG LEU A 9 0.735 11.232 2.807 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.640 11.069 2.156 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.581 11.231 4.327 1.00 0.00 C ATOM 0 H LEU A 9 1.938 11.891 0.882 1.00 0.00 H new ATOM 0 HA LEU A 9 3.533 10.961 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.263 9.602 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.656 9.309 3.169 1.00 0.00 H new ATOM 0 HG LEU A 9 1.176 12.174 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.284 11.896 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.531 11.067 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.086 10.128 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.067 12.054 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.140 10.287 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.560 11.351 4.792 1.00 0.00 H new ATOM 151 N ARG A 10 3.763 8.260 2.102 1.00 0.00 N ATOM 152 CA ARG A 10 4.649 7.138 1.657 1.00 0.00 C ATOM 153 C ARG A 10 3.814 5.925 1.239 1.00 0.00 C ATOM 154 O ARG A 10 2.736 5.693 1.746 1.00 0.00 O ATOM 155 CB ARG A 10 5.525 6.778 2.875 1.00 0.00 C ATOM 156 CG ARG A 10 5.508 7.905 3.918 1.00 0.00 C ATOM 157 CD ARG A 10 6.156 9.160 3.329 1.00 0.00 C ATOM 158 NE ARG A 10 7.232 9.520 4.291 1.00 0.00 N ATOM 159 CZ ARG A 10 7.021 10.462 5.170 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.741 11.671 4.773 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.079 10.193 6.446 1.00 0.00 N ATOM 0 H ARG A 10 3.036 8.004 2.771 1.00 0.00 H new ATOM 0 HA ARG A 10 5.251 7.430 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.164 5.854 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.549 6.594 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.483 8.120 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.044 7.593 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.562 8.967 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.431 9.968 3.226 1.00 0.00 H new ATOM 0 HE ARG A 10 8.128 9.034 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.687 11.881 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.576 12.408 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.290 9.245 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.914 10.931 7.131 1.00 0.00 H new ATOM 175 N VAL A 11 4.307 5.140 0.320 1.00 0.00 N ATOM 176 CA VAL A 11 3.533 3.942 -0.114 1.00 0.00 C ATOM 177 C VAL A 11 4.446 2.724 -0.253 1.00 0.00 C ATOM 178 O VAL A 11 4.944 2.426 -1.322 1.00 0.00 O ATOM 179 CB VAL A 11 2.935 4.305 -1.475 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.954 5.466 -1.314 1.00 0.00 C ATOM 181 CG2 VAL A 11 4.052 4.709 -2.441 1.00 0.00 C ATOM 0 H VAL A 11 5.204 5.274 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 11 2.765 3.684 0.615 1.00 0.00 H new ATOM 0 HB VAL A 11 2.408 3.439 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.530 5.722 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.153 5.174 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.478 6.331 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.621 4.966 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.585 5.571 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.746 3.877 -2.563 1.00 0.00 H new ATOM 191 N LEU A 12 4.655 1.999 0.811 1.00 0.00 N ATOM 192 CA LEU A 12 5.510 0.789 0.714 1.00 0.00 C ATOM 193 C LEU A 12 4.665 -0.357 0.149 1.00 0.00 C ATOM 194 O LEU A 12 3.862 -0.945 0.844 1.00 0.00 O ATOM 195 CB LEU A 12 5.948 0.494 2.149 1.00 0.00 C ATOM 196 CG LEU A 12 6.433 1.787 2.812 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.107 1.461 4.146 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.435 2.492 1.893 1.00 0.00 C ATOM 0 H LEU A 12 4.272 2.192 1.737 1.00 0.00 H new ATOM 0 HA LEU A 12 6.374 0.919 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.117 0.072 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.745 -0.250 2.152 1.00 0.00 H new ATOM 0 HG LEU A 12 5.579 2.442 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.451 2.383 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.393 0.964 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.958 0.803 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.779 3.412 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.287 1.836 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.954 2.730 0.945 1.00 0.00 H new ATOM 210 N VAL A 13 4.824 -0.672 -1.109 1.00 0.00 N ATOM 211 CA VAL A 13 4.010 -1.770 -1.708 1.00 0.00 C ATOM 212 C VAL A 13 4.937 -2.880 -2.181 1.00 0.00 C ATOM 213 O VAL A 13 5.999 -2.627 -2.709 1.00 0.00 O ATOM 214 CB VAL A 13 3.269 -1.147 -2.901 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.973 -1.920 -3.154 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.920 0.315 -2.604 1.00 0.00 C ATOM 0 H VAL A 13 5.479 -0.219 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 13 3.309 -2.199 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 13 3.915 -1.194 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.446 -1.479 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.208 -2.961 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.341 -1.871 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.395 0.744 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.281 0.365 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.835 0.878 -2.420 1.00 0.00 H new ATOM 226 N VAL A 14 4.566 -4.108 -1.990 1.00 0.00 N ATOM 227 CA VAL A 14 5.466 -5.198 -2.428 1.00 0.00 C ATOM 228 C VAL A 14 4.678 -6.394 -2.978 1.00 0.00 C ATOM 229 O VAL A 14 3.644 -6.783 -2.454 1.00 0.00 O ATOM 230 CB VAL A 14 6.236 -5.582 -1.164 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.822 -4.329 -0.509 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.292 -6.274 -0.182 1.00 0.00 C ATOM 0 H VAL A 14 3.691 -4.402 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 14 6.123 -4.886 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 14 7.047 -6.259 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.369 -4.611 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.500 -3.837 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.015 -3.646 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.841 -6.548 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.479 -5.597 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.881 -7.172 -0.643 1.00 0.00 H new ATOM 242 N GLU A 15 5.188 -6.974 -4.034 1.00 0.00 N ATOM 243 CA GLU A 15 4.541 -8.161 -4.665 1.00 0.00 C ATOM 244 C GLU A 15 5.618 -9.018 -5.344 1.00 0.00 C ATOM 245 O GLU A 15 6.602 -8.521 -5.836 1.00 0.00 O ATOM 246 CB GLU A 15 3.539 -7.603 -5.679 1.00 0.00 C ATOM 247 CG GLU A 15 4.242 -7.159 -6.963 1.00 0.00 C ATOM 248 CD GLU A 15 3.670 -7.914 -8.165 1.00 0.00 C ATOM 249 OE1 GLU A 15 3.962 -9.089 -8.295 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.960 -7.295 -8.942 1.00 0.00 O ATOM 0 H GLU A 15 6.045 -6.667 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 15 4.031 -8.799 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.793 -8.363 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.007 -6.758 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.115 -6.086 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.313 -7.345 -6.883 1.00 0.00 H new ATOM 257 N ASP A 16 5.462 -10.301 -5.335 1.00 0.00 N ATOM 258 CA ASP A 16 6.500 -11.189 -5.940 1.00 0.00 C ATOM 259 C ASP A 16 6.997 -10.687 -7.304 1.00 0.00 C ATOM 260 O ASP A 16 8.175 -10.752 -7.595 1.00 0.00 O ATOM 261 CB ASP A 16 5.807 -12.533 -6.101 1.00 0.00 C ATOM 262 CG ASP A 16 4.411 -12.318 -6.693 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.590 -11.713 -6.020 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.188 -12.751 -7.811 1.00 0.00 O ATOM 0 H ASP A 16 4.659 -10.785 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 16 7.387 -11.229 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.394 -13.182 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.732 -13.034 -5.136 1.00 0.00 H new ATOM 269 N GLU A 17 6.127 -10.224 -8.159 1.00 0.00 N ATOM 270 CA GLU A 17 6.597 -9.772 -9.506 1.00 0.00 C ATOM 271 C GLU A 17 7.073 -8.318 -9.485 1.00 0.00 C ATOM 272 O GLU A 17 6.771 -7.559 -8.586 1.00 0.00 O ATOM 273 CB GLU A 17 5.391 -9.915 -10.438 1.00 0.00 C ATOM 274 CG GLU A 17 4.702 -11.260 -10.202 1.00 0.00 C ATOM 275 CD GLU A 17 3.231 -11.022 -9.860 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.744 -9.942 -10.151 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.615 -11.923 -9.314 1.00 0.00 O ATOM 0 H GLU A 17 5.125 -10.138 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 17 7.448 -10.369 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.687 -9.101 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.713 -9.840 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.784 -11.884 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.194 -11.796 -9.390 1.00 0.00 H new ATOM 284 N SER A 18 7.811 -7.934 -10.496 1.00 0.00 N ATOM 285 CA SER A 18 8.318 -6.534 -10.589 1.00 0.00 C ATOM 286 C SER A 18 7.262 -5.650 -11.246 1.00 0.00 C ATOM 287 O SER A 18 7.467 -4.470 -11.450 1.00 0.00 O ATOM 288 CB SER A 18 9.560 -6.619 -11.474 1.00 0.00 C ATOM 289 OG SER A 18 9.637 -5.454 -12.287 1.00 0.00 O ATOM 0 H SER A 18 8.086 -8.540 -11.269 1.00 0.00 H new ATOM 0 HA SER A 18 8.544 -6.106 -9.612 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.455 -6.706 -10.858 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.515 -7.511 -12.099 1.00 0.00 H new ATOM 0 HG SER A 18 9.108 -4.736 -11.880 1.00 0.00 H new ATOM 295 N MET A 19 6.126 -6.209 -11.569 1.00 0.00 N ATOM 296 CA MET A 19 5.055 -5.396 -12.200 1.00 0.00 C ATOM 297 C MET A 19 4.695 -4.230 -11.280 1.00 0.00 C ATOM 298 O MET A 19 4.037 -3.299 -11.679 1.00 0.00 O ATOM 299 CB MET A 19 3.872 -6.354 -12.371 1.00 0.00 C ATOM 300 CG MET A 19 3.328 -6.247 -13.798 1.00 0.00 C ATOM 301 SD MET A 19 2.254 -7.663 -14.149 1.00 0.00 S ATOM 302 CE MET A 19 0.890 -7.198 -13.054 1.00 0.00 C ATOM 0 H MET A 19 5.897 -7.192 -11.422 1.00 0.00 H new ATOM 0 HA MET A 19 5.355 -4.968 -13.156 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.187 -7.377 -12.167 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.088 -6.112 -11.653 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.771 -5.318 -13.917 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.152 -6.218 -14.511 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.006 -7.785 -13.305 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.172 -7.391 -12.019 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.669 -6.138 -13.178 1.00 0.00 H new ATOM 312 N ILE A 20 5.139 -4.276 -10.050 1.00 0.00 N ATOM 313 CA ILE A 20 4.842 -3.167 -9.099 1.00 0.00 C ATOM 314 C ILE A 20 6.025 -2.205 -9.045 1.00 0.00 C ATOM 315 O ILE A 20 5.879 -1.023 -8.802 1.00 0.00 O ATOM 316 CB ILE A 20 4.668 -3.856 -7.749 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.566 -2.806 -6.646 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.871 -4.759 -7.462 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.947 -3.443 -5.405 1.00 0.00 C ATOM 0 H ILE A 20 5.697 -5.038 -9.664 1.00 0.00 H new ATOM 0 HA ILE A 20 3.963 -2.590 -9.387 1.00 0.00 H new ATOM 0 HB ILE A 20 3.759 -4.456 -7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.554 -2.409 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.957 -1.967 -6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.738 -5.247 -6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.952 -5.516 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.780 -4.158 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.871 -2.698 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.953 -3.818 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.574 -4.268 -5.068 1.00 0.00 H new ATOM 331 N ALA A 21 7.197 -2.716 -9.272 1.00 0.00 N ATOM 332 CA ALA A 21 8.414 -1.865 -9.238 1.00 0.00 C ATOM 333 C ALA A 21 8.220 -0.617 -10.097 1.00 0.00 C ATOM 334 O ALA A 21 7.805 0.419 -9.617 1.00 0.00 O ATOM 335 CB ALA A 21 9.501 -2.757 -9.822 1.00 0.00 C ATOM 0 H ALA A 21 7.367 -3.699 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 21 8.655 -1.511 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.446 -2.215 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.607 -3.651 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.229 -3.045 -10.837 1.00 0.00 H new ATOM 341 N MET A 22 8.516 -0.703 -11.365 1.00 0.00 N ATOM 342 CA MET A 22 8.342 0.492 -12.242 1.00 0.00 C ATOM 343 C MET A 22 6.912 1.004 -12.108 1.00 0.00 C ATOM 344 O MET A 22 6.626 2.166 -12.318 1.00 0.00 O ATOM 345 CB MET A 22 8.631 -0.006 -13.665 1.00 0.00 C ATOM 346 CG MET A 22 7.849 0.825 -14.688 1.00 0.00 C ATOM 347 SD MET A 22 8.068 0.112 -16.334 1.00 0.00 S ATOM 348 CE MET A 22 6.327 0.138 -16.828 1.00 0.00 C ATOM 0 H MET A 22 8.868 -1.540 -11.829 1.00 0.00 H new ATOM 0 HA MET A 22 9.004 1.317 -11.979 1.00 0.00 H new ATOM 0 HB2 MET A 22 9.699 0.062 -13.871 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.355 -1.057 -13.753 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.791 0.844 -14.426 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.198 1.857 -14.677 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.228 -0.267 -17.835 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.743 -0.467 -16.135 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.960 1.164 -16.812 1.00 0.00 H new ATOM 358 N LEU A 23 6.024 0.136 -11.734 1.00 0.00 N ATOM 359 CA LEU A 23 4.608 0.535 -11.545 1.00 0.00 C ATOM 360 C LEU A 23 4.518 1.513 -10.372 1.00 0.00 C ATOM 361 O LEU A 23 3.482 2.087 -10.103 1.00 0.00 O ATOM 362 CB LEU A 23 3.914 -0.799 -11.237 1.00 0.00 C ATOM 363 CG LEU A 23 2.613 -0.609 -10.449 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.857 -1.938 -10.442 1.00 0.00 C ATOM 365 CD2 LEU A 23 2.910 -0.219 -8.997 1.00 0.00 C ATOM 0 H LEU A 23 6.221 -0.847 -11.548 1.00 0.00 H new ATOM 0 HA LEU A 23 4.157 1.042 -12.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.698 -1.318 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.591 -1.436 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 23 2.027 0.181 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.927 -1.824 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.633 -2.235 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.472 -2.704 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.973 -0.089 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.497 -1.005 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.472 0.715 -8.979 1.00 0.00 H new ATOM 377 N ILE A 24 5.601 1.689 -9.658 1.00 0.00 N ATOM 378 CA ILE A 24 5.589 2.606 -8.488 1.00 0.00 C ATOM 379 C ILE A 24 6.349 3.900 -8.805 1.00 0.00 C ATOM 380 O ILE A 24 5.843 4.988 -8.619 1.00 0.00 O ATOM 381 CB ILE A 24 6.265 1.788 -7.371 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.502 2.004 -6.063 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.731 2.196 -7.176 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.436 0.689 -5.285 1.00 0.00 C ATOM 0 H ILE A 24 6.495 1.233 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 24 4.588 2.929 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 24 6.245 0.737 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.996 2.768 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.495 2.365 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.173 1.597 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.281 2.031 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.782 3.251 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.892 0.844 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.922 -0.063 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.447 0.347 -5.062 1.00 0.00 H new ATOM 396 N GLU A 25 7.562 3.791 -9.276 1.00 0.00 N ATOM 397 CA GLU A 25 8.344 5.017 -9.593 1.00 0.00 C ATOM 398 C GLU A 25 7.487 5.967 -10.430 1.00 0.00 C ATOM 399 O GLU A 25 7.635 7.171 -10.365 1.00 0.00 O ATOM 400 CB GLU A 25 9.563 4.526 -10.371 1.00 0.00 C ATOM 401 CG GLU A 25 10.722 4.300 -9.395 1.00 0.00 C ATOM 402 CD GLU A 25 11.793 5.368 -9.621 1.00 0.00 C ATOM 403 OE1 GLU A 25 12.490 5.278 -10.618 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.898 6.258 -8.793 1.00 0.00 O ATOM 0 H GLU A 25 8.042 2.909 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 25 8.647 5.569 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.327 3.600 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.846 5.258 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.360 4.344 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.147 3.307 -9.541 1.00 0.00 H new ATOM 411 N ASP A 26 6.571 5.437 -11.193 1.00 0.00 N ATOM 412 CA ASP A 26 5.686 6.316 -12.001 1.00 0.00 C ATOM 413 C ASP A 26 4.646 6.944 -11.071 1.00 0.00 C ATOM 414 O ASP A 26 4.386 8.129 -11.123 1.00 0.00 O ATOM 415 CB ASP A 26 5.030 5.394 -13.033 1.00 0.00 C ATOM 416 CG ASP A 26 3.898 4.600 -12.375 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.817 5.149 -12.237 1.00 0.00 O ATOM 418 OD2 ASP A 26 4.132 3.458 -12.019 1.00 0.00 O ATOM 0 H ASP A 26 6.399 4.436 -11.290 1.00 0.00 H new ATOM 0 HA ASP A 26 6.218 7.128 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.639 5.982 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.772 4.711 -13.448 1.00 0.00 H new ATOM 423 N THR A 27 4.070 6.159 -10.195 1.00 0.00 N ATOM 424 CA THR A 27 3.079 6.721 -9.240 1.00 0.00 C ATOM 425 C THR A 27 3.812 7.652 -8.280 1.00 0.00 C ATOM 426 O THR A 27 3.408 8.774 -8.050 1.00 0.00 O ATOM 427 CB THR A 27 2.494 5.525 -8.488 1.00 0.00 C ATOM 428 OG1 THR A 27 3.008 4.319 -9.032 1.00 0.00 O ATOM 429 CG2 THR A 27 0.972 5.536 -8.615 1.00 0.00 C ATOM 0 H THR A 27 4.245 5.158 -10.103 1.00 0.00 H new ATOM 0 HA THR A 27 2.290 7.288 -9.734 1.00 0.00 H new ATOM 0 HB THR A 27 2.771 5.591 -7.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.266 3.725 -9.270 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.556 4.683 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.578 6.459 -8.190 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.694 5.474 -9.667 1.00 0.00 H new ATOM 437 N LEU A 28 4.910 7.197 -7.741 1.00 0.00 N ATOM 438 CA LEU A 28 5.698 8.057 -6.820 1.00 0.00 C ATOM 439 C LEU A 28 6.112 9.321 -7.568 1.00 0.00 C ATOM 440 O LEU A 28 6.251 10.380 -6.995 1.00 0.00 O ATOM 441 CB LEU A 28 6.919 7.210 -6.446 1.00 0.00 C ATOM 442 CG LEU A 28 8.060 8.085 -5.900 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.771 8.797 -7.055 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.516 9.125 -4.909 1.00 0.00 C ATOM 0 H LEU A 28 5.294 6.266 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 28 5.147 8.368 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.635 6.470 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.266 6.661 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 28 8.769 7.442 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.578 9.415 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.183 8.056 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.059 9.427 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.338 9.735 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.791 9.764 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.032 8.615 -4.076 1.00 0.00 H new ATOM 456 N CYS A 29 6.304 9.217 -8.855 1.00 0.00 N ATOM 457 CA CYS A 29 6.698 10.415 -9.642 1.00 0.00 C ATOM 458 C CYS A 29 5.631 11.496 -9.478 1.00 0.00 C ATOM 459 O CYS A 29 5.906 12.677 -9.557 1.00 0.00 O ATOM 460 CB CYS A 29 6.774 9.933 -11.091 1.00 0.00 C ATOM 461 SG CYS A 29 8.473 10.108 -11.691 1.00 0.00 S ATOM 0 H CYS A 29 6.205 8.356 -9.392 1.00 0.00 H new ATOM 0 HA CYS A 29 7.646 10.844 -9.319 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.458 8.892 -11.157 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.094 10.513 -11.715 1.00 0.00 H new ATOM 0 HG CYS A 29 8.543 9.697 -12.922 1.00 0.00 H new ATOM 467 N GLU A 30 4.413 11.092 -9.239 1.00 0.00 N ATOM 468 CA GLU A 30 3.319 12.076 -9.055 1.00 0.00 C ATOM 469 C GLU A 30 3.268 12.533 -7.595 1.00 0.00 C ATOM 470 O GLU A 30 3.217 13.712 -7.303 1.00 0.00 O ATOM 471 CB GLU A 30 2.043 11.318 -9.431 1.00 0.00 C ATOM 472 CG GLU A 30 0.823 12.058 -8.881 1.00 0.00 C ATOM 473 CD GLU A 30 -0.403 11.724 -9.731 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.272 11.711 -10.945 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.451 11.482 -9.156 1.00 0.00 O ATOM 0 H GLU A 30 4.131 10.115 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 30 3.453 12.971 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.968 11.228 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.078 10.305 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.648 11.772 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.002 13.133 -8.889 1.00 0.00 H new ATOM 482 N LEU A 31 3.283 11.608 -6.675 1.00 0.00 N ATOM 483 CA LEU A 31 3.235 11.992 -5.235 1.00 0.00 C ATOM 484 C LEU A 31 4.597 12.501 -4.766 1.00 0.00 C ATOM 485 O LEU A 31 4.687 13.332 -3.884 1.00 0.00 O ATOM 486 CB LEU A 31 2.914 10.704 -4.476 1.00 0.00 C ATOM 487 CG LEU A 31 1.533 10.181 -4.855 1.00 0.00 C ATOM 488 CD1 LEU A 31 1.616 8.667 -5.059 1.00 0.00 C ATOM 489 CD2 LEU A 31 0.555 10.487 -3.718 1.00 0.00 C ATOM 0 H LEU A 31 3.326 10.605 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 31 2.501 12.780 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.667 9.948 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.956 10.889 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 31 1.190 10.659 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.633 8.282 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.325 8.446 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.949 8.193 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.436 10.116 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.895 9.999 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.509 11.564 -3.558 1.00 0.00 H new ATOM 501 N GLY A 32 5.661 11.974 -5.307 1.00 0.00 N ATOM 502 CA GLY A 32 7.003 12.399 -4.834 1.00 0.00 C ATOM 503 C GLY A 32 7.145 11.887 -3.402 1.00 0.00 C ATOM 504 O GLY A 32 7.879 12.426 -2.597 1.00 0.00 O ATOM 0 H GLY A 32 5.658 11.274 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.786 11.988 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.100 13.484 -4.869 1.00 0.00 H new ATOM 508 N HIS A 33 6.412 10.850 -3.083 1.00 0.00 N ATOM 509 CA HIS A 33 6.448 10.282 -1.708 1.00 0.00 C ATOM 510 C HIS A 33 7.875 10.203 -1.172 1.00 0.00 C ATOM 511 O HIS A 33 8.841 10.370 -1.890 1.00 0.00 O ATOM 512 CB HIS A 33 5.831 8.888 -1.833 1.00 0.00 C ATOM 513 CG HIS A 33 4.356 8.993 -1.576 1.00 0.00 C ATOM 514 ND1 HIS A 33 3.516 7.892 -1.534 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.562 10.080 -1.341 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.272 8.345 -1.281 1.00 0.00 C ATOM 517 NE2 HIS A 33 2.246 9.672 -1.154 1.00 0.00 N ATOM 0 H HIS A 33 5.784 10.370 -3.727 1.00 0.00 H new ATOM 0 HA HIS A 33 5.902 10.908 -1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.014 8.481 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.292 8.205 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.905 11.103 -1.306 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.403 7.711 -1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.436 10.261 -0.961 1.00 0.00 H new ATOM 525 N GLU A 34 7.997 9.965 0.100 1.00 0.00 N ATOM 526 CA GLU A 34 9.337 9.886 0.741 1.00 0.00 C ATOM 527 C GLU A 34 10.093 8.627 0.298 1.00 0.00 C ATOM 528 O GLU A 34 11.274 8.677 0.015 1.00 0.00 O ATOM 529 CB GLU A 34 9.016 9.832 2.232 1.00 0.00 C ATOM 530 CG GLU A 34 10.181 10.411 3.038 1.00 0.00 C ATOM 531 CD GLU A 34 9.879 11.868 3.394 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.933 12.406 2.843 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.596 12.419 4.213 1.00 0.00 O ATOM 0 H GLU A 34 7.212 9.819 0.735 1.00 0.00 H new ATOM 0 HA GLU A 34 9.982 10.723 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.105 10.395 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.829 8.802 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.335 9.828 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.103 10.350 2.460 1.00 0.00 H new ATOM 540 N VAL A 35 9.431 7.500 0.244 1.00 0.00 N ATOM 541 CA VAL A 35 10.129 6.244 -0.171 1.00 0.00 C ATOM 542 C VAL A 35 9.106 5.141 -0.492 1.00 0.00 C ATOM 543 O VAL A 35 8.343 4.730 0.356 1.00 0.00 O ATOM 544 CB VAL A 35 10.981 5.862 1.051 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.186 4.345 1.113 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.347 6.547 0.960 1.00 0.00 C ATOM 0 H VAL A 35 8.442 7.394 0.468 1.00 0.00 H new ATOM 0 HA VAL A 35 10.731 6.375 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 35 10.459 6.187 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.791 4.095 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.218 3.850 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.695 4.009 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.949 6.275 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.855 6.226 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.211 7.628 0.938 1.00 0.00 H new ATOM 556 N ALA A 36 9.093 4.649 -1.704 1.00 0.00 N ATOM 557 CA ALA A 36 8.131 3.571 -2.056 1.00 0.00 C ATOM 558 C ALA A 36 8.838 2.209 -2.039 1.00 0.00 C ATOM 559 O ALA A 36 10.049 2.130 -2.093 1.00 0.00 O ATOM 560 CB ALA A 36 7.647 3.914 -3.466 1.00 0.00 C ATOM 0 H ALA A 36 9.707 4.949 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 36 7.303 3.506 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.931 3.162 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.168 4.893 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.497 3.932 -4.148 1.00 0.00 H new ATOM 566 N ALA A 37 8.094 1.136 -1.970 1.00 0.00 N ATOM 567 CA ALA A 37 8.736 -0.216 -1.956 1.00 0.00 C ATOM 568 C ALA A 37 8.229 -1.039 -3.140 1.00 0.00 C ATOM 569 O ALA A 37 7.123 -0.847 -3.604 1.00 0.00 O ATOM 570 CB ALA A 37 8.312 -0.867 -0.638 1.00 0.00 C ATOM 0 H ALA A 37 7.075 1.135 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 37 9.821 -0.153 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.750 -1.862 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.658 -0.257 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.225 -0.946 -0.604 1.00 0.00 H new ATOM 576 N THR A 38 9.039 -1.938 -3.641 1.00 0.00 N ATOM 577 CA THR A 38 8.618 -2.757 -4.812 1.00 0.00 C ATOM 578 C THR A 38 8.898 -4.248 -4.604 1.00 0.00 C ATOM 579 O THR A 38 9.618 -4.645 -3.710 1.00 0.00 O ATOM 580 CB THR A 38 9.459 -2.220 -5.966 1.00 0.00 C ATOM 581 OG1 THR A 38 10.829 -2.536 -5.743 1.00 0.00 O ATOM 582 CG2 THR A 38 9.291 -0.702 -6.051 1.00 0.00 C ATOM 0 H THR A 38 9.974 -2.138 -3.287 1.00 0.00 H new ATOM 0 HA THR A 38 7.545 -2.681 -4.987 1.00 0.00 H new ATOM 0 HB THR A 38 9.131 -2.676 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.369 -2.193 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.891 -0.315 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.242 -0.461 -6.222 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.621 -0.247 -5.117 1.00 0.00 H new ATOM 590 N ALA A 39 8.310 -5.063 -5.446 1.00 0.00 N ATOM 591 CA ALA A 39 8.476 -6.546 -5.358 1.00 0.00 C ATOM 592 C ALA A 39 8.158 -7.020 -3.944 1.00 0.00 C ATOM 593 O ALA A 39 8.205 -6.259 -3.011 1.00 0.00 O ATOM 594 CB ALA A 39 9.928 -6.845 -5.692 1.00 0.00 C ATOM 0 H ALA A 39 7.708 -4.753 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 39 7.803 -7.059 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.099 -7.920 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.151 -6.490 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.577 -6.340 -4.977 1.00 0.00 H new ATOM 600 N SER A 40 7.823 -8.263 -3.772 1.00 0.00 N ATOM 601 CA SER A 40 7.506 -8.743 -2.397 1.00 0.00 C ATOM 602 C SER A 40 8.800 -9.040 -1.644 1.00 0.00 C ATOM 603 O SER A 40 9.546 -9.929 -2.004 1.00 0.00 O ATOM 604 CB SER A 40 6.686 -10.013 -2.575 1.00 0.00 C ATOM 605 OG SER A 40 7.489 -11.017 -3.182 1.00 0.00 O ATOM 0 H SER A 40 7.754 -8.963 -4.511 1.00 0.00 H new ATOM 0 HA SER A 40 6.956 -7.998 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.320 -10.360 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.811 -9.810 -3.193 1.00 0.00 H new ATOM 0 HG SER A 40 8.433 -10.759 -3.125 1.00 0.00 H new ATOM 611 N ARG A 41 9.077 -8.302 -0.607 1.00 0.00 N ATOM 612 CA ARG A 41 10.325 -8.541 0.155 1.00 0.00 C ATOM 613 C ARG A 41 10.024 -8.633 1.651 1.00 0.00 C ATOM 614 O ARG A 41 9.432 -7.745 2.233 1.00 0.00 O ATOM 615 CB ARG A 41 11.206 -7.328 -0.142 1.00 0.00 C ATOM 616 CG ARG A 41 12.677 -7.749 -0.109 1.00 0.00 C ATOM 617 CD ARG A 41 13.154 -8.057 -1.530 1.00 0.00 C ATOM 618 NE ARG A 41 14.461 -8.744 -1.349 1.00 0.00 N ATOM 619 CZ ARG A 41 14.674 -9.900 -1.913 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.526 -10.032 -3.201 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.024 -10.926 -1.186 1.00 0.00 N ATOM 0 H ARG A 41 8.491 -7.544 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 41 10.809 -9.476 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.957 -6.914 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.024 -6.544 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.284 -6.954 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.801 -8.627 0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.442 -8.692 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.264 -7.145 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 41 15.191 -8.310 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.244 -9.231 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.692 -10.936 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.131 -10.823 -0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.191 -11.830 -1.627 1.00 0.00 H new ATOM 635 N MET A 42 10.428 -9.700 2.279 1.00 0.00 N ATOM 636 CA MET A 42 10.168 -9.851 3.737 1.00 0.00 C ATOM 637 C MET A 42 10.906 -8.762 4.518 1.00 0.00 C ATOM 638 O MET A 42 10.472 -8.337 5.570 1.00 0.00 O ATOM 639 CB MET A 42 10.717 -11.230 4.094 1.00 0.00 C ATOM 640 CG MET A 42 9.716 -12.306 3.669 1.00 0.00 C ATOM 641 SD MET A 42 10.389 -13.940 4.059 1.00 0.00 S ATOM 642 CE MET A 42 10.803 -13.609 5.791 1.00 0.00 C ATOM 0 H MET A 42 10.928 -10.476 1.845 1.00 0.00 H new ATOM 0 HA MET A 42 9.110 -9.757 3.982 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.673 -11.392 3.597 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.901 -11.293 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.767 -12.159 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.514 -12.229 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.848 -14.549 6.340 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.771 -13.111 5.845 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.040 -12.968 6.231 1.00 0.00 H new ATOM 652 N GLN A 43 12.020 -8.306 4.010 1.00 0.00 N ATOM 653 CA GLN A 43 12.783 -7.244 4.722 1.00 0.00 C ATOM 654 C GLN A 43 12.020 -5.920 4.652 1.00 0.00 C ATOM 655 O GLN A 43 11.793 -5.271 5.654 1.00 0.00 O ATOM 656 CB GLN A 43 14.116 -7.142 3.981 1.00 0.00 C ATOM 657 CG GLN A 43 15.265 -7.302 4.979 1.00 0.00 C ATOM 658 CD GLN A 43 15.574 -8.788 5.168 1.00 0.00 C ATOM 659 OE1 GLN A 43 14.719 -9.549 5.575 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.767 -9.238 4.886 1.00 0.00 N ATOM 0 H GLN A 43 12.433 -8.624 3.133 1.00 0.00 H new ATOM 0 HA GLN A 43 12.929 -7.473 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.177 -7.912 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.191 -6.180 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.150 -6.779 4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.996 -6.851 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.485 -8.600 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.981 -10.228 5.007 1.00 0.00 H new ATOM 669 N GLU A 44 11.614 -5.517 3.478 1.00 0.00 N ATOM 670 CA GLU A 44 10.861 -4.240 3.355 1.00 0.00 C ATOM 671 C GLU A 44 9.453 -4.416 3.928 1.00 0.00 C ATOM 672 O GLU A 44 8.972 -3.590 4.679 1.00 0.00 O ATOM 673 CB GLU A 44 10.804 -3.942 1.855 1.00 0.00 C ATOM 674 CG GLU A 44 12.008 -3.085 1.455 1.00 0.00 C ATOM 675 CD GLU A 44 11.526 -1.686 1.066 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.511 -1.263 1.595 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.180 -1.060 0.247 1.00 0.00 O ATOM 0 H GLU A 44 11.771 -6.016 2.603 1.00 0.00 H new ATOM 0 HA GLU A 44 11.333 -3.425 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.804 -4.873 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.878 -3.421 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.715 -3.022 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.535 -3.546 0.620 1.00 0.00 H new ATOM 684 N ALA A 45 8.792 -5.491 3.589 1.00 0.00 N ATOM 685 CA ALA A 45 7.421 -5.716 4.130 1.00 0.00 C ATOM 686 C ALA A 45 7.411 -5.389 5.624 1.00 0.00 C ATOM 687 O ALA A 45 6.523 -4.731 6.125 1.00 0.00 O ATOM 688 CB ALA A 45 7.139 -7.202 3.901 1.00 0.00 C ATOM 0 H ALA A 45 9.140 -6.219 2.965 1.00 0.00 H new ATOM 0 HA ALA A 45 6.669 -5.090 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.144 -7.445 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.190 -7.422 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.882 -7.799 4.430 1.00 0.00 H new ATOM 694 N LEU A 46 8.410 -5.833 6.331 1.00 0.00 N ATOM 695 CA LEU A 46 8.489 -5.540 7.788 1.00 0.00 C ATOM 696 C LEU A 46 8.495 -4.026 8.003 1.00 0.00 C ATOM 697 O LEU A 46 7.876 -3.508 8.910 1.00 0.00 O ATOM 698 CB LEU A 46 9.822 -6.151 8.224 1.00 0.00 C ATOM 699 CG LEU A 46 10.287 -5.520 9.538 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.707 -6.623 10.511 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.482 -4.603 9.264 1.00 0.00 C ATOM 0 H LEU A 46 9.180 -6.390 5.960 1.00 0.00 H new ATOM 0 HA LEU A 46 7.649 -5.942 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.713 -7.228 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.573 -5.993 7.450 1.00 0.00 H new ATOM 0 HG LEU A 46 9.473 -4.941 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.039 -6.175 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.859 -7.281 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.523 -7.200 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.816 -4.152 10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.296 -5.185 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.186 -3.819 8.567 1.00 0.00 H new ATOM 713 N ASP A 47 9.204 -3.322 7.167 1.00 0.00 N ATOM 714 CA ASP A 47 9.281 -1.839 7.298 1.00 0.00 C ATOM 715 C ASP A 47 7.893 -1.202 7.158 1.00 0.00 C ATOM 716 O ASP A 47 7.540 -0.305 7.898 1.00 0.00 O ATOM 717 CB ASP A 47 10.192 -1.388 6.156 1.00 0.00 C ATOM 718 CG ASP A 47 10.279 0.139 6.147 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.083 0.729 7.196 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.537 0.692 5.091 1.00 0.00 O ATOM 0 H ASP A 47 9.739 -3.713 6.391 1.00 0.00 H new ATOM 0 HA ASP A 47 9.661 -1.539 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.186 -1.819 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.803 -1.747 5.203 1.00 0.00 H new ATOM 725 N ILE A 48 7.102 -1.647 6.217 1.00 0.00 N ATOM 726 CA ILE A 48 5.746 -1.040 6.059 1.00 0.00 C ATOM 727 C ILE A 48 4.901 -1.367 7.288 1.00 0.00 C ATOM 728 O ILE A 48 3.919 -0.723 7.560 1.00 0.00 O ATOM 729 CB ILE A 48 5.120 -1.641 4.779 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.348 -2.932 5.111 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.208 -1.930 3.748 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.178 -3.790 3.848 1.00 0.00 C ATOM 0 H ILE A 48 7.330 -2.393 5.560 1.00 0.00 H new ATOM 0 HA ILE A 48 5.800 0.045 5.970 1.00 0.00 H new ATOM 0 HB ILE A 48 4.421 -0.916 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.883 -3.498 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.371 -2.683 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.756 -2.353 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.723 -1.004 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.923 -2.640 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.631 -4.699 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.624 -3.227 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.159 -4.054 3.452 1.00 0.00 H new ATOM 744 N ALA A 49 5.271 -2.376 8.025 1.00 0.00 N ATOM 745 CA ALA A 49 4.482 -2.748 9.228 1.00 0.00 C ATOM 746 C ALA A 49 5.052 -2.082 10.489 1.00 0.00 C ATOM 747 O ALA A 49 4.382 -1.320 11.158 1.00 0.00 O ATOM 748 CB ALA A 49 4.607 -4.267 9.327 1.00 0.00 C ATOM 0 H ALA A 49 6.088 -2.960 7.845 1.00 0.00 H new ATOM 0 HA ALA A 49 3.445 -2.421 9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.050 -4.622 10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.204 -4.725 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.657 -4.539 9.434 1.00 0.00 H new ATOM 754 N ARG A 50 6.278 -2.383 10.828 1.00 0.00 N ATOM 755 CA ARG A 50 6.891 -1.792 12.054 1.00 0.00 C ATOM 756 C ARG A 50 6.940 -0.261 11.967 1.00 0.00 C ATOM 757 O ARG A 50 6.852 0.425 12.966 1.00 0.00 O ATOM 758 CB ARG A 50 8.307 -2.367 12.100 1.00 0.00 C ATOM 759 CG ARG A 50 8.348 -3.551 13.068 1.00 0.00 C ATOM 760 CD ARG A 50 7.565 -4.727 12.475 1.00 0.00 C ATOM 761 NE ARG A 50 6.272 -4.735 13.213 1.00 0.00 N ATOM 762 CZ ARG A 50 5.771 -5.861 13.641 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.275 -6.442 14.693 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.765 -6.405 13.014 1.00 0.00 N ATOM 0 H ARG A 50 6.884 -3.016 10.306 1.00 0.00 H new ATOM 0 HA ARG A 50 6.314 -2.030 12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.613 -2.688 11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.012 -1.599 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.381 -3.846 13.254 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.920 -3.264 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.408 -4.598 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.102 -5.666 12.608 1.00 0.00 H new ATOM 0 HE ARG A 50 5.777 -3.859 13.384 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.062 -6.016 15.183 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.882 -7.322 15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.371 -5.950 12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.372 -7.285 13.347 1.00 0.00 H new ATOM 778 N LYS A 51 7.086 0.281 10.790 1.00 0.00 N ATOM 779 CA LYS A 51 7.149 1.767 10.661 1.00 0.00 C ATOM 780 C LYS A 51 5.918 2.413 11.298 1.00 0.00 C ATOM 781 O LYS A 51 6.019 3.394 12.008 1.00 0.00 O ATOM 782 CB LYS A 51 7.167 2.043 9.158 1.00 0.00 C ATOM 783 CG LYS A 51 6.908 3.532 8.918 1.00 0.00 C ATOM 784 CD LYS A 51 7.919 4.363 9.714 1.00 0.00 C ATOM 785 CE LYS A 51 9.296 4.270 9.053 1.00 0.00 C ATOM 786 NZ LYS A 51 9.302 5.344 8.019 1.00 0.00 N ATOM 0 H LYS A 51 7.164 -0.236 9.914 1.00 0.00 H new ATOM 0 HA LYS A 51 8.024 2.178 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.130 1.756 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.407 1.444 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.991 3.759 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.893 3.788 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.595 5.403 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.973 4.002 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.094 4.419 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.453 3.289 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.015 5.124 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.364 5.403 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.532 6.255 8.466 1.00 0.00 H new ATOM 800 N GLY A 52 4.757 1.877 11.047 1.00 0.00 N ATOM 801 CA GLY A 52 3.522 2.467 11.636 1.00 0.00 C ATOM 802 C GLY A 52 3.110 3.700 10.830 1.00 0.00 C ATOM 803 O GLY A 52 2.061 3.730 10.216 1.00 0.00 O ATOM 0 H GLY A 52 4.609 1.056 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.717 1.732 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.698 2.742 12.676 1.00 0.00 H new ATOM 807 N GLN A 53 3.924 4.722 10.828 1.00 0.00 N ATOM 808 CA GLN A 53 3.571 5.953 10.064 1.00 0.00 C ATOM 809 C GLN A 53 4.051 5.836 8.613 1.00 0.00 C ATOM 810 O GLN A 53 4.554 6.779 8.033 1.00 0.00 O ATOM 811 CB GLN A 53 4.285 7.091 10.798 1.00 0.00 C ATOM 812 CG GLN A 53 5.775 7.082 10.459 1.00 0.00 C ATOM 813 CD GLN A 53 6.146 8.408 9.797 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.192 8.965 10.068 1.00 0.00 O ATOM 815 NE2 GLN A 53 5.324 8.944 8.937 1.00 0.00 N ATOM 0 H GLN A 53 4.816 4.757 11.321 1.00 0.00 H new ATOM 0 HA GLN A 53 2.495 6.121 10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.846 8.048 10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.148 6.982 11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.365 6.935 11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.003 6.252 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.447 8.476 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.559 9.831 8.492 1.00 0.00 H new ATOM 824 N PHE A 54 3.884 4.684 8.023 1.00 0.00 N ATOM 825 CA PHE A 54 4.310 4.492 6.605 1.00 0.00 C ATOM 826 C PHE A 54 3.125 4.783 5.677 1.00 0.00 C ATOM 827 O PHE A 54 3.102 4.398 4.525 1.00 0.00 O ATOM 828 CB PHE A 54 4.740 3.025 6.507 1.00 0.00 C ATOM 829 CG PHE A 54 3.562 2.123 6.779 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.270 1.709 8.085 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.768 1.692 5.719 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.183 0.864 8.324 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.682 0.849 5.955 1.00 0.00 C ATOM 834 CZ PHE A 54 1.387 0.434 7.257 1.00 0.00 C ATOM 0 H PHE A 54 3.469 3.863 8.463 1.00 0.00 H new ATOM 0 HA PHE A 54 5.121 5.159 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.143 2.821 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.537 2.822 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.885 2.043 8.907 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.994 2.011 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.958 0.544 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.068 0.516 5.131 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.545 -0.218 7.439 1.00 0.00 H new ATOM 844 N ASP A 55 2.145 5.467 6.197 1.00 0.00 N ATOM 845 CA ASP A 55 0.933 5.824 5.412 1.00 0.00 C ATOM 846 C ASP A 55 0.219 4.585 4.877 1.00 0.00 C ATOM 847 O ASP A 55 -0.855 4.266 5.324 1.00 0.00 O ATOM 848 CB ASP A 55 1.412 6.699 4.263 1.00 0.00 C ATOM 849 CG ASP A 55 0.279 7.642 3.855 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.117 8.660 4.509 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.410 7.330 2.898 1.00 0.00 O ATOM 0 H ASP A 55 2.135 5.802 7.160 1.00 0.00 H new ATOM 0 HA ASP A 55 0.211 6.344 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.289 7.271 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.711 6.080 3.417 1.00 0.00 H new ATOM 856 N ILE A 56 0.784 3.902 3.912 1.00 0.00 N ATOM 857 CA ILE A 56 0.075 2.702 3.344 1.00 0.00 C ATOM 858 C ILE A 56 1.041 1.538 3.046 1.00 0.00 C ATOM 859 O ILE A 56 2.222 1.734 2.840 1.00 0.00 O ATOM 860 CB ILE A 56 -0.557 3.224 2.054 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.669 4.218 2.410 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.136 2.057 1.255 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.460 4.588 1.153 1.00 0.00 C ATOM 0 H ILE A 56 1.690 4.115 3.495 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.652 2.294 4.046 1.00 0.00 H new ATOM 0 HB ILE A 56 0.199 3.724 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.335 3.781 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.238 5.114 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.586 2.433 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.340 1.354 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.896 1.550 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.248 5.294 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.791 5.044 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.905 3.689 0.726 1.00 0.00 H new ATOM 875 N ALA A 57 0.535 0.318 3.013 1.00 0.00 N ATOM 876 CA ALA A 57 1.424 -0.860 2.728 1.00 0.00 C ATOM 877 C ALA A 57 0.622 -1.963 2.047 1.00 0.00 C ATOM 878 O ALA A 57 -0.505 -2.224 2.411 1.00 0.00 O ATOM 879 CB ALA A 57 1.909 -1.338 4.094 1.00 0.00 C ATOM 0 H ALA A 57 -0.447 0.092 3.170 1.00 0.00 H new ATOM 0 HA ALA A 57 2.251 -0.598 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.565 -2.199 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.456 -0.535 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.052 -1.622 4.705 1.00 0.00 H new ATOM 885 N ILE A 58 1.161 -2.611 1.048 1.00 0.00 N ATOM 886 CA ILE A 58 0.346 -3.659 0.381 1.00 0.00 C ATOM 887 C ILE A 58 1.150 -4.877 -0.101 1.00 0.00 C ATOM 888 O ILE A 58 1.686 -4.887 -1.191 1.00 0.00 O ATOM 889 CB ILE A 58 -0.276 -2.955 -0.825 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.965 -1.665 -0.380 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.309 -3.870 -1.472 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.069 -0.547 -0.289 1.00 0.00 C ATOM 0 H ILE A 58 2.100 -2.465 0.677 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.376 -4.064 1.090 1.00 0.00 H new ATOM 0 HB ILE A 58 0.512 -2.718 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.748 -1.395 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.446 -1.811 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.752 -3.368 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.826 -4.791 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.089 -4.107 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.419 0.375 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.836 -0.819 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.529 -0.397 -1.266 1.00 0.00 H new ATOM 904 N ILE A 59 1.128 -5.946 0.653 1.00 0.00 N ATOM 905 CA ILE A 59 1.770 -7.208 0.179 1.00 0.00 C ATOM 906 C ILE A 59 0.688 -7.796 -0.716 1.00 0.00 C ATOM 907 O ILE A 59 -0.032 -8.709 -0.364 1.00 0.00 O ATOM 908 CB ILE A 59 1.984 -8.054 1.435 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.346 -7.727 2.059 1.00 0.00 C ATOM 910 CG2 ILE A 59 1.944 -9.535 1.062 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.252 -6.433 2.872 1.00 0.00 C ATOM 0 H ILE A 59 0.694 -5.999 1.575 1.00 0.00 H new ATOM 0 HA ILE A 59 2.722 -7.118 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 59 1.195 -7.832 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.667 -8.547 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.098 -7.621 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.096 -10.140 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.975 -9.774 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.732 -9.750 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.224 -6.208 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.951 -5.614 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.514 -6.554 3.665 1.00 0.00 H new ATOM 923 N ASP A 60 0.501 -7.138 -1.815 1.00 0.00 N ATOM 924 CA ASP A 60 -0.618 -7.450 -2.744 1.00 0.00 C ATOM 925 C ASP A 60 -0.526 -8.753 -3.528 1.00 0.00 C ATOM 926 O ASP A 60 0.298 -9.615 -3.296 1.00 0.00 O ATOM 927 CB ASP A 60 -0.578 -6.289 -3.718 1.00 0.00 C ATOM 928 CG ASP A 60 0.729 -6.384 -4.503 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.413 -7.377 -4.329 1.00 0.00 O ATOM 930 OD2 ASP A 60 1.025 -5.473 -5.259 1.00 0.00 O ATOM 0 H ASP A 60 1.096 -6.369 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.532 -7.581 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.433 -6.327 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.635 -5.340 -3.184 1.00 0.00 H new ATOM 935 N VAL A 61 -1.433 -8.841 -4.473 1.00 0.00 N ATOM 936 CA VAL A 61 -1.568 -10.009 -5.377 1.00 0.00 C ATOM 937 C VAL A 61 -0.964 -11.257 -4.752 1.00 0.00 C ATOM 938 O VAL A 61 0.095 -11.728 -5.115 1.00 0.00 O ATOM 939 CB VAL A 61 -0.897 -9.577 -6.680 1.00 0.00 C ATOM 940 CG1 VAL A 61 -0.280 -10.769 -7.415 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.948 -8.930 -7.584 1.00 0.00 C ATOM 0 H VAL A 61 -2.116 -8.106 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.605 -10.288 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.100 -8.873 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.188 -10.425 -8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.471 -11.239 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.059 -11.493 -7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.481 -8.617 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.738 -9.650 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.374 -8.061 -7.082 1.00 0.00 H new ATOM 951 N ASN A 62 -1.671 -11.813 -3.819 1.00 0.00 N ATOM 952 CA ASN A 62 -1.206 -13.054 -3.168 1.00 0.00 C ATOM 953 C ASN A 62 -1.196 -14.166 -4.215 1.00 0.00 C ATOM 954 O ASN A 62 -2.108 -14.966 -4.301 1.00 0.00 O ATOM 955 CB ASN A 62 -2.237 -13.316 -2.070 1.00 0.00 C ATOM 956 CG ASN A 62 -3.651 -13.470 -2.662 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.874 -13.264 -3.939 1.00 0.00 O flip ATOM 958 ND2 ASN A 62 -4.576 -13.787 -1.941 1.00 0.00 N flip ATOM 0 H ASN A 62 -2.562 -11.455 -3.477 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.201 -12.994 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.968 -14.219 -1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.227 -12.494 -1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.415 -13.950 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.513 -13.890 -2.330 1.00 0.00 H new ATOM 965 N LEU A 63 -0.188 -14.190 -5.041 1.00 0.00 N ATOM 966 CA LEU A 63 -0.127 -15.209 -6.120 1.00 0.00 C ATOM 967 C LEU A 63 1.310 -15.704 -6.298 1.00 0.00 C ATOM 968 O LEU A 63 2.210 -15.283 -5.598 1.00 0.00 O ATOM 969 CB LEU A 63 -0.607 -14.451 -7.360 1.00 0.00 C ATOM 970 CG LEU A 63 -1.804 -15.170 -7.982 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.100 -14.620 -7.380 1.00 0.00 C ATOM 972 CD2 LEU A 63 -1.807 -14.929 -9.494 1.00 0.00 C ATOM 0 H LEU A 63 0.600 -13.543 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.730 -16.094 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.885 -13.433 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.202 -14.378 -8.087 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.733 -16.239 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.954 -15.133 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.099 -14.783 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.172 -13.552 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.659 -15.440 -9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.880 -13.860 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.884 -15.316 -9.926 1.00 0.00 H new ATOM 984 N ASP A 64 1.532 -16.601 -7.219 1.00 0.00 N ATOM 985 CA ASP A 64 2.910 -17.129 -7.422 1.00 0.00 C ATOM 986 C ASP A 64 3.508 -17.518 -6.071 1.00 0.00 C ATOM 987 O ASP A 64 4.710 -17.536 -5.890 1.00 0.00 O ATOM 988 CB ASP A 64 3.700 -15.982 -8.052 1.00 0.00 C ATOM 989 CG ASP A 64 4.976 -16.535 -8.692 1.00 0.00 C ATOM 990 OD1 ASP A 64 5.945 -16.717 -7.973 1.00 0.00 O ATOM 991 OD2 ASP A 64 4.962 -16.767 -9.889 1.00 0.00 O ATOM 0 H ASP A 64 0.821 -16.990 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 64 2.928 -18.015 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.093 -15.477 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.952 -15.240 -7.294 1.00 0.00 H new ATOM 996 N GLY A 65 2.672 -17.830 -5.117 1.00 0.00 N ATOM 997 CA GLY A 65 3.185 -18.219 -3.777 1.00 0.00 C ATOM 998 C GLY A 65 2.397 -17.502 -2.686 1.00 0.00 C ATOM 999 O GLY A 65 2.535 -17.795 -1.515 1.00 0.00 O ATOM 0 H GLY A 65 1.656 -17.831 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.103 -19.298 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.243 -17.968 -3.697 1.00 0.00 H new ATOM 1003 N GLU A 66 1.578 -16.560 -3.050 1.00 0.00 N ATOM 1004 CA GLU A 66 0.795 -15.828 -2.019 1.00 0.00 C ATOM 1005 C GLU A 66 1.729 -15.382 -0.890 1.00 0.00 C ATOM 1006 O GLU A 66 1.609 -15.829 0.233 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.235 -16.837 -1.509 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.250 -17.131 -2.617 1.00 0.00 C ATOM 1009 CD GLU A 66 -1.677 -18.599 -2.549 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.955 -19.432 -3.073 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -2.721 -18.866 -1.975 1.00 0.00 O ATOM 0 H GLU A 66 1.416 -16.265 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 66 0.313 -14.932 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.262 -17.757 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.744 -16.441 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.120 -16.484 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.812 -16.914 -3.591 1.00 0.00 H new ATOM 1018 N PRO A 67 2.644 -14.520 -1.242 1.00 0.00 N ATOM 1019 CA PRO A 67 3.631 -14.007 -0.267 1.00 0.00 C ATOM 1020 C PRO A 67 2.987 -12.973 0.657 1.00 0.00 C ATOM 1021 O PRO A 67 3.116 -11.780 0.464 1.00 0.00 O ATOM 1022 CB PRO A 67 4.696 -13.359 -1.143 1.00 0.00 C ATOM 1023 CG PRO A 67 3.988 -12.989 -2.407 1.00 0.00 C ATOM 1024 CD PRO A 67 2.833 -13.945 -2.573 1.00 0.00 C ATOM 0 HA PRO A 67 4.033 -14.785 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.124 -12.481 -0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.518 -14.047 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.631 -11.960 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.665 -13.053 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.936 -13.429 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.057 -14.715 -3.311 1.00 0.00 H new ATOM 1032 N SER A 68 2.294 -13.425 1.659 1.00 0.00 N ATOM 1033 CA SER A 68 1.641 -12.478 2.605 1.00 0.00 C ATOM 1034 C SER A 68 2.286 -12.599 3.986 1.00 0.00 C ATOM 1035 O SER A 68 2.296 -11.664 4.763 1.00 0.00 O ATOM 1036 CB SER A 68 0.176 -12.909 2.653 1.00 0.00 C ATOM 1037 OG SER A 68 0.033 -13.978 3.578 1.00 0.00 O ATOM 0 H SER A 68 2.150 -14.413 1.867 1.00 0.00 H new ATOM 0 HA SER A 68 1.744 -11.439 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.453 -12.069 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.156 -13.222 1.663 1.00 0.00 H new ATOM 0 HG SER A 68 -0.906 -14.257 3.613 1.00 0.00 H new ATOM 1043 N TYR A 69 2.829 -13.753 4.285 1.00 0.00 N ATOM 1044 CA TYR A 69 3.480 -13.994 5.609 1.00 0.00 C ATOM 1045 C TYR A 69 2.575 -13.500 6.741 1.00 0.00 C ATOM 1046 O TYR A 69 1.547 -12.893 6.508 1.00 0.00 O ATOM 1047 CB TYR A 69 4.840 -13.256 5.624 1.00 0.00 C ATOM 1048 CG TYR A 69 4.956 -12.234 4.512 1.00 0.00 C ATOM 1049 CD1 TYR A 69 4.962 -12.635 3.171 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.065 -10.880 4.834 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.072 -11.675 2.156 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.174 -9.920 3.823 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.180 -10.319 2.483 1.00 0.00 C ATOM 1054 OH TYR A 69 5.290 -9.374 1.484 1.00 0.00 O ATOM 0 H TYR A 69 2.848 -14.554 3.654 1.00 0.00 H new ATOM 0 HA TYR A 69 3.644 -15.061 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.970 -12.759 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.646 -13.984 5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.882 -13.682 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.065 -10.572 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.073 -11.982 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.253 -8.873 4.077 1.00 0.00 H new ATOM 0 HH TYR A 69 5.041 -9.775 0.625 1.00 0.00 H new ATOM 1064 N PRO A 70 2.980 -13.798 7.940 1.00 0.00 N ATOM 1065 CA PRO A 70 2.193 -13.391 9.125 1.00 0.00 C ATOM 1066 C PRO A 70 2.252 -11.877 9.329 1.00 0.00 C ATOM 1067 O PRO A 70 1.602 -11.340 10.199 1.00 0.00 O ATOM 1068 CB PRO A 70 2.871 -14.127 10.275 1.00 0.00 C ATOM 1069 CG PRO A 70 4.267 -14.375 9.802 1.00 0.00 C ATOM 1070 CD PRO A 70 4.194 -14.535 8.307 1.00 0.00 C ATOM 0 HA PRO A 70 1.134 -13.633 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.863 -13.529 11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.359 -15.062 10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.920 -13.545 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.680 -15.270 10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.076 -14.124 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.129 -15.584 8.019 1.00 0.00 H new ATOM 1078 N VAL A 71 3.008 -11.173 8.532 1.00 0.00 N ATOM 1079 CA VAL A 71 3.061 -9.696 8.708 1.00 0.00 C ATOM 1080 C VAL A 71 1.893 -9.061 7.960 1.00 0.00 C ATOM 1081 O VAL A 71 0.998 -8.498 8.550 1.00 0.00 O ATOM 1082 CB VAL A 71 4.392 -9.244 8.109 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.514 -7.724 8.223 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.545 -9.904 8.866 1.00 0.00 C ATOM 0 H VAL A 71 3.583 -11.550 7.778 1.00 0.00 H new ATOM 0 HA VAL A 71 2.988 -9.403 9.755 1.00 0.00 H new ATOM 0 HB VAL A 71 4.433 -9.535 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.464 -7.402 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.694 -7.252 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.471 -7.433 9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.494 -9.581 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.504 -9.615 9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.461 -10.988 8.785 1.00 0.00 H new ATOM 1094 N ALA A 72 1.890 -9.165 6.663 1.00 0.00 N ATOM 1095 CA ALA A 72 0.776 -8.588 5.872 1.00 0.00 C ATOM 1096 C ALA A 72 -0.556 -8.990 6.490 1.00 0.00 C ATOM 1097 O ALA A 72 -1.403 -8.160 6.757 1.00 0.00 O ATOM 1098 CB ALA A 72 0.917 -9.212 4.494 1.00 0.00 C ATOM 0 H ALA A 72 2.616 -9.628 6.116 1.00 0.00 H new ATOM 0 HA ALA A 72 0.808 -7.499 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.128 -8.837 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.889 -8.951 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.836 -10.296 4.575 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.751 -10.258 6.733 1.00 0.00 N ATOM 1105 CA ASP A 73 -2.030 -10.683 7.348 1.00 0.00 C ATOM 1106 C ASP A 73 -2.209 -9.929 8.660 1.00 0.00 C ATOM 1107 O ASP A 73 -3.200 -9.262 8.881 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.883 -12.177 7.596 1.00 0.00 C ATOM 1109 CG ASP A 73 -2.399 -12.951 6.382 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.408 -12.382 5.303 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -2.776 -14.100 6.551 1.00 0.00 O ATOM 0 H ASP A 73 -0.086 -11.006 6.534 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.897 -10.477 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.838 -12.424 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.440 -12.465 8.487 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.231 -10.005 9.518 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.316 -9.260 10.806 1.00 0.00 C ATOM 1118 C ILE A 74 -1.598 -7.797 10.484 1.00 0.00 C ATOM 1119 O ILE A 74 -2.504 -7.187 11.016 1.00 0.00 O ATOM 1120 CB ILE A 74 0.064 -9.407 11.455 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.148 -10.742 12.195 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.294 -8.270 12.456 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.556 -10.912 12.769 1.00 0.00 C ATOM 0 H ILE A 74 -0.378 -10.549 9.385 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.100 -9.629 11.467 1.00 0.00 H new ATOM 0 HB ILE A 74 0.824 -9.368 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.590 -10.774 12.996 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.082 -11.563 11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.277 -8.381 12.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.241 -7.313 11.938 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.472 -8.306 13.230 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.621 -11.863 13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.284 -10.898 11.958 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.768 -10.097 13.461 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.828 -7.242 9.590 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.045 -5.832 9.196 1.00 0.00 C ATOM 1137 C LEU A 75 -2.532 -5.636 8.922 1.00 0.00 C ATOM 1138 O LEU A 75 -3.113 -4.635 9.273 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.208 -5.654 7.928 1.00 0.00 C ATOM 1140 CG LEU A 75 0.224 -4.194 7.801 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.381 -3.927 8.767 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.690 -3.932 6.368 1.00 0.00 C ATOM 0 H LEU A 75 -0.056 -7.711 9.116 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.757 -5.107 9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.668 -6.301 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.787 -5.950 7.053 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.613 -3.538 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.694 -2.886 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.055 -4.125 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.219 -4.579 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.000 -2.891 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.531 -4.584 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.128 -4.133 5.677 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.156 -6.611 8.323 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.610 -6.513 8.054 1.00 0.00 C ATOM 1156 C ALA A 76 -5.375 -6.832 9.341 1.00 0.00 C ATOM 1157 O ALA A 76 -6.330 -6.167 9.693 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.886 -7.568 6.983 1.00 0.00 C ATOM 0 H ALA A 76 -2.715 -7.475 8.008 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.919 -5.521 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.946 -7.559 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.297 -7.346 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.613 -8.552 7.363 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.945 -7.843 10.052 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.622 -8.212 11.325 1.00 0.00 C ATOM 1166 C GLU A 77 -5.603 -7.009 12.276 1.00 0.00 C ATOM 1167 O GLU A 77 -6.632 -6.540 12.722 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.808 -9.407 11.864 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.314 -9.148 13.294 1.00 0.00 C ATOM 1170 CD GLU A 77 -3.719 -10.434 13.868 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -4.378 -11.457 13.786 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.612 -10.374 14.379 1.00 0.00 O ATOM 0 H GLU A 77 -4.149 -8.430 9.801 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.671 -8.484 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.424 -10.306 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.955 -9.593 11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.565 -8.356 13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.139 -8.806 13.919 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.439 -6.492 12.569 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.365 -5.306 13.463 1.00 0.00 C ATOM 1181 C ARG A 78 -4.781 -4.076 12.655 1.00 0.00 C ATOM 1182 O ARG A 78 -5.605 -3.288 13.071 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.901 -5.224 13.926 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.052 -4.462 12.900 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.640 -4.255 13.455 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.819 -3.392 14.655 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.216 -2.822 15.205 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.625 -1.659 14.774 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.843 -3.417 16.184 1.00 0.00 N ATOM 0 H ARG A 78 -3.542 -6.839 12.229 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.024 -5.369 14.329 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.847 -4.724 14.893 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.501 -6.228 14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.008 -5.019 11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.511 -3.499 12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.176 -5.206 13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.007 -3.778 12.719 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.750 -3.247 15.046 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.135 -1.198 14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.435 -1.212 15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.523 -4.326 16.517 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.653 -2.972 16.616 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.242 -3.947 11.476 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.618 -2.815 10.590 1.00 0.00 C ATOM 1205 C ASN A 79 -4.253 -1.452 11.177 1.00 0.00 C ATOM 1206 O ASN A 79 -4.898 -0.945 12.073 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.129 -2.937 10.444 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.572 -2.214 9.182 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.671 -1.005 9.161 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.838 -2.910 8.120 1.00 0.00 N ATOM 0 H ASN A 79 -3.549 -4.586 11.085 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.082 -2.868 9.642 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.418 -3.987 10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.626 -2.510 11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.132 -2.441 7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.753 -3.926 8.142 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.257 -0.838 10.616 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.853 0.525 11.047 1.00 0.00 C ATOM 1219 C VAL A 80 -3.312 1.464 9.920 1.00 0.00 C ATOM 1220 O VAL A 80 -3.877 0.990 8.956 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.317 0.431 11.196 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.592 1.124 10.033 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.887 1.068 12.521 1.00 0.00 C ATOM 0 H VAL A 80 -2.693 -1.230 9.862 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.279 0.895 11.980 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.043 -0.624 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.486 1.037 10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.876 0.650 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.871 2.177 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.196 1.000 12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.188 2.116 12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.363 0.542 13.349 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.072 2.742 10.023 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.505 3.631 8.925 1.00 0.00 C ATOM 1235 C PRO A 81 -2.788 3.207 7.648 1.00 0.00 C ATOM 1236 O PRO A 81 -1.578 3.272 7.553 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.098 5.021 9.398 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.015 4.770 10.399 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.389 3.481 11.089 1.00 0.00 C ATOM 0 HA PRO A 81 -4.571 3.597 8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.740 5.634 8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.939 5.550 9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.043 4.686 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.944 5.590 11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.512 2.947 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.040 3.653 11.946 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.526 2.738 6.680 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.882 2.263 5.421 1.00 0.00 C ATOM 1249 C PHE A 82 -3.908 1.780 4.407 1.00 0.00 C ATOM 1250 O PHE A 82 -5.039 2.219 4.373 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.990 1.093 5.852 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.817 -0.166 6.052 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.174 -0.084 6.405 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.214 -1.419 5.901 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.919 -1.253 6.605 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.964 -2.587 6.100 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.313 -2.503 6.453 1.00 0.00 C ATOM 0 H PHE A 82 -4.543 2.663 6.705 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.329 3.068 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.224 0.915 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.472 1.345 6.778 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.643 0.882 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.170 -1.487 5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.962 -1.188 6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.498 -3.554 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.888 -3.404 6.608 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.490 0.865 3.586 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.381 0.303 2.547 1.00 0.00 C ATOM 1269 C ILE A 83 -3.761 -1.003 2.043 1.00 0.00 C ATOM 1270 O ILE A 83 -2.586 -1.258 2.268 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.392 1.369 1.463 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.520 2.383 1.702 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.571 0.727 0.087 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.821 1.659 2.058 1.00 0.00 C ATOM 0 H ILE A 83 -2.547 0.476 3.593 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.390 0.073 2.890 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.436 1.891 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.242 3.063 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.667 2.991 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.577 1.503 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.749 0.037 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.515 0.183 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.611 2.391 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.105 0.998 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.674 1.071 2.964 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.538 -1.828 1.383 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.004 -3.131 0.885 1.00 0.00 C ATOM 1288 C PHE A 84 -4.721 -3.565 -0.412 1.00 0.00 C ATOM 1289 O PHE A 84 -5.704 -2.975 -0.853 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.310 -4.094 2.026 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.273 -5.191 2.125 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.102 -4.988 2.868 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.502 -6.427 1.509 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.164 -6.020 2.993 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.561 -7.458 1.630 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.393 -7.254 2.373 1.00 0.00 C ATOM 0 H PHE A 84 -5.520 -1.653 1.168 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.944 -3.089 0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.349 -3.544 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.295 -4.536 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.923 -4.035 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.406 -6.586 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.263 -5.864 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.737 -8.409 1.150 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.668 -8.049 2.468 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.230 -4.585 -1.049 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.873 -5.019 -2.310 1.00 0.00 C ATOM 1308 C ALA A 85 -4.324 -6.374 -2.759 1.00 0.00 C ATOM 1309 O ALA A 85 -3.152 -6.618 -2.667 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.476 -3.931 -3.309 1.00 0.00 C ATOM 0 H ALA A 85 -3.420 -5.131 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.952 -5.140 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.905 -4.159 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.850 -2.967 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.390 -3.891 -3.391 1.00 0.00 H new ATOM 1316 N THR A 86 -5.152 -7.250 -3.260 1.00 0.00 N ATOM 1317 CA THR A 86 -4.635 -8.572 -3.715 1.00 0.00 C ATOM 1318 C THR A 86 -5.730 -9.356 -4.437 1.00 0.00 C ATOM 1319 O THR A 86 -6.753 -8.811 -4.799 1.00 0.00 O ATOM 1320 CB THR A 86 -4.212 -9.289 -2.432 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.849 -10.628 -2.736 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.379 -9.285 -1.442 1.00 0.00 C ATOM 0 H THR A 86 -6.156 -7.110 -3.373 1.00 0.00 H new ATOM 0 HA THR A 86 -3.809 -8.472 -4.420 1.00 0.00 H new ATOM 0 HB THR A 86 -3.358 -8.775 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.731 -11.132 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.081 -9.795 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.656 -8.257 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.232 -9.800 -1.883 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.506 -10.629 -4.661 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.517 -11.469 -5.373 1.00 0.00 C ATOM 1332 C GLY A 87 -7.945 -10.997 -5.062 1.00 0.00 C ATOM 1333 O GLY A 87 -8.800 -10.989 -5.925 1.00 0.00 O ATOM 0 H GLY A 87 -4.660 -11.124 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.341 -11.422 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.402 -12.511 -5.076 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.216 -10.604 -3.843 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.598 -10.141 -3.506 1.00 0.00 C ATOM 1339 C TYR A 88 -9.567 -8.760 -2.841 1.00 0.00 C ATOM 1340 O TYR A 88 -10.581 -8.253 -2.401 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.154 -11.190 -2.539 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.136 -11.502 -1.467 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.671 -10.491 -0.613 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.658 -12.810 -1.324 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.731 -10.791 0.379 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.718 -13.108 -0.331 1.00 0.00 C ATOM 1347 CZ TYR A 88 -7.255 -12.099 0.519 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.329 -12.396 1.497 1.00 0.00 O ATOM 0 H TYR A 88 -7.548 -10.583 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.215 -10.041 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.073 -10.823 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.409 -12.099 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.038 -9.481 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.015 -13.590 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.373 -10.013 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.350 -14.117 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.106 -13.349 1.458 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.420 -8.147 -2.761 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.341 -6.800 -2.123 1.00 0.00 C ATOM 1360 C GLY A 89 -7.943 -6.945 -0.653 1.00 0.00 C ATOM 1361 O GLY A 89 -6.829 -6.645 -0.269 1.00 0.00 O ATOM 0 H GLY A 89 -7.535 -8.517 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.612 -6.181 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.303 -6.294 -2.200 1.00 0.00 H new ATOM 1365 N SER A 90 -8.846 -7.395 0.177 1.00 0.00 N ATOM 1366 CA SER A 90 -8.511 -7.546 1.623 1.00 0.00 C ATOM 1367 C SER A 90 -9.415 -8.590 2.293 1.00 0.00 C ATOM 1368 O SER A 90 -10.541 -8.804 1.889 1.00 0.00 O ATOM 1369 CB SER A 90 -8.760 -6.165 2.225 1.00 0.00 C ATOM 1370 OG SER A 90 -9.884 -5.574 1.587 1.00 0.00 O ATOM 0 H SER A 90 -9.796 -7.663 -0.081 1.00 0.00 H new ATOM 0 HA SER A 90 -7.486 -7.888 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.938 -6.249 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.880 -5.535 2.096 1.00 0.00 H new ATOM 0 HG SER A 90 -10.699 -6.050 1.853 1.00 0.00 H new ATOM 1376 N LYS A 91 -8.929 -9.233 3.323 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.754 -10.254 4.032 1.00 0.00 C ATOM 1378 C LYS A 91 -10.477 -9.618 5.225 1.00 0.00 C ATOM 1379 O LYS A 91 -11.652 -9.837 5.443 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.776 -11.345 4.499 1.00 0.00 C ATOM 1381 CG LYS A 91 -7.672 -10.755 5.394 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.041 -10.939 6.872 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.027 -10.196 7.755 1.00 0.00 C ATOM 1384 NZ LYS A 91 -5.756 -10.963 7.617 1.00 0.00 N ATOM 0 H LYS A 91 -7.993 -9.094 3.704 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.523 -10.672 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.320 -12.115 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.326 -11.829 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.721 -11.245 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.540 -9.696 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.046 -10.558 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.050 -11.999 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.902 -9.164 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.357 -10.164 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.123 -10.731 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.963 -11.982 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.295 -10.712 6.719 1.00 0.00 H new ATOM 1398 N GLY A 92 -9.784 -8.824 5.989 1.00 0.00 N ATOM 1399 CA GLY A 92 -10.414 -8.158 7.160 1.00 0.00 C ATOM 1400 C GLY A 92 -9.774 -6.782 7.329 1.00 0.00 C ATOM 1401 O GLY A 92 -9.898 -6.143 8.355 1.00 0.00 O ATOM 0 H GLY A 92 -8.797 -8.606 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.489 -8.061 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.271 -8.757 8.060 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.092 -6.325 6.314 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.434 -4.996 6.377 1.00 0.00 C ATOM 1407 C LEU A 93 -9.378 -3.970 7.014 1.00 0.00 C ATOM 1408 O LEU A 93 -10.247 -3.427 6.364 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.160 -4.662 4.912 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.459 -3.315 4.809 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.520 -3.319 3.610 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.507 -2.225 4.629 1.00 0.00 C ATOM 0 H LEU A 93 -8.963 -6.825 5.434 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.527 -4.988 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.541 -5.439 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.096 -4.638 4.354 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.883 -3.129 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.019 -2.354 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.776 -4.106 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.092 -3.500 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.014 -1.256 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.076 -2.414 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.182 -2.224 5.485 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.210 -3.705 8.282 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.092 -2.712 8.978 1.00 0.00 C ATOM 1426 C ASP A 94 -9.292 -1.448 9.312 1.00 0.00 C ATOM 1427 O ASP A 94 -8.653 -1.367 10.342 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.539 -3.416 10.259 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.306 -3.876 11.035 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.814 -4.953 10.743 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.869 -3.140 11.906 1.00 0.00 O ATOM 0 H ASP A 94 -8.497 -4.134 8.872 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.939 -2.403 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.137 -2.740 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.171 -4.270 10.017 1.00 0.00 H new ATOM 1436 N THR A 95 -9.306 -0.468 8.449 1.00 0.00 N ATOM 1437 CA THR A 95 -8.516 0.772 8.720 1.00 0.00 C ATOM 1438 C THR A 95 -9.409 1.994 8.908 1.00 0.00 C ATOM 1439 O THR A 95 -10.609 1.945 8.733 1.00 0.00 O ATOM 1440 CB THR A 95 -7.659 0.961 7.468 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.000 2.216 7.524 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.547 0.908 6.222 1.00 0.00 C ATOM 0 H THR A 95 -9.827 -0.470 7.572 1.00 0.00 H new ATOM 0 HA THR A 95 -7.937 0.672 9.638 1.00 0.00 H new ATOM 0 HB THR A 95 -6.917 0.164 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.993 2.622 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.933 1.043 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.049 -0.058 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.292 1.702 6.272 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.802 3.104 9.233 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.567 4.366 9.403 1.00 0.00 C ATOM 1452 C ARG A 96 -10.008 4.871 8.029 1.00 0.00 C ATOM 1453 O ARG A 96 -10.688 5.871 7.906 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.565 5.346 10.018 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.187 4.888 11.429 1.00 0.00 C ATOM 1456 CD ARG A 96 -9.231 5.399 12.426 1.00 0.00 C ATOM 1457 NE ARG A 96 -8.985 6.865 12.521 1.00 0.00 N ATOM 1458 CZ ARG A 96 -9.402 7.535 13.561 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -8.709 7.524 14.665 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -10.513 8.215 13.498 1.00 0.00 N ATOM 0 H ARG A 96 -7.797 3.187 9.389 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.457 4.244 10.020 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.673 5.406 9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.997 6.346 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.133 3.800 11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.200 5.266 11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.243 5.190 12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.120 4.916 13.397 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.489 7.347 11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.840 6.992 14.717 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.035 8.048 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.057 8.224 12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.838 8.738 14.311 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.602 4.190 6.989 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.963 4.626 5.617 1.00 0.00 C ATOM 1476 C TYR A 97 -11.422 4.256 5.307 1.00 0.00 C ATOM 1477 O TYR A 97 -12.026 4.824 4.423 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.005 3.853 4.699 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.576 4.371 4.822 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.963 4.537 6.080 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.848 4.660 3.659 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.643 4.992 6.163 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.526 5.111 3.748 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.924 5.278 4.999 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.619 5.720 5.083 1.00 0.00 O ATOM 0 H TYR A 97 -9.032 3.345 7.037 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.877 5.705 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.032 2.793 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.338 3.942 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.513 4.312 6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.309 4.534 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.178 5.123 7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.970 5.330 2.849 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.266 5.871 4.181 1.00 0.00 H new ATOM 1495 N SER A 98 -11.975 3.304 6.036 1.00 0.00 N ATOM 1496 CA SER A 98 -13.398 2.848 5.819 1.00 0.00 C ATOM 1497 C SER A 98 -13.446 1.717 4.788 1.00 0.00 C ATOM 1498 O SER A 98 -14.453 1.499 4.142 1.00 0.00 O ATOM 1499 CB SER A 98 -14.195 4.051 5.314 1.00 0.00 C ATOM 1500 OG SER A 98 -15.500 4.020 5.875 1.00 0.00 O ATOM 0 H SER A 98 -11.490 2.814 6.788 1.00 0.00 H new ATOM 0 HA SER A 98 -13.820 2.469 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.691 4.977 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.254 4.031 4.226 1.00 0.00 H new ATOM 0 HG SER A 98 -16.012 4.791 5.554 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.367 0.997 4.622 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.365 -0.112 3.624 1.00 0.00 C ATOM 1508 C ASN A 99 -12.953 0.386 2.303 1.00 0.00 C ATOM 1509 O ASN A 99 -14.154 0.394 2.114 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.258 -1.182 4.243 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.595 -1.754 5.499 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -11.385 -1.380 5.823 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -13.185 -2.555 6.196 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.493 1.128 5.131 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.366 -0.490 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.229 -0.756 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.438 -1.979 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.129 -2.850 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.736 -2.933 7.030 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.124 0.812 1.389 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.663 1.322 0.092 1.00 0.00 C ATOM 1522 C ILE A 100 -11.707 1.047 -1.086 1.00 0.00 C ATOM 1523 O ILE A 100 -12.113 0.439 -2.054 1.00 0.00 O ATOM 1524 CB ILE A 100 -12.885 2.839 0.259 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.098 3.222 1.731 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.134 3.243 -0.522 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -11.776 3.187 2.499 1.00 0.00 C ATOM 0 H ILE A 100 -11.108 0.830 1.480 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.594 0.806 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.997 3.352 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.533 4.220 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.809 2.535 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.302 4.314 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.997 3.004 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.996 2.699 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.952 3.462 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.356 2.182 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.076 3.892 2.051 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.477 1.515 -1.007 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.539 1.300 -2.130 1.00 0.00 C ATOM 1541 C PRO A 101 -8.915 -0.092 -2.077 1.00 0.00 C ATOM 1542 O PRO A 101 -7.734 -0.257 -2.313 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.474 2.358 -1.916 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.489 2.651 -0.457 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.841 2.261 0.089 1.00 0.00 C ATOM 0 HA PRO A 101 -10.033 1.371 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.495 1.999 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.689 3.254 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.700 2.096 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.299 3.710 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.746 1.647 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.426 3.138 0.365 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.684 -1.098 -1.780 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.100 -2.463 -1.734 1.00 0.00 C ATOM 1555 C LEU A 102 -9.140 -3.077 -3.131 1.00 0.00 C ATOM 1556 O LEU A 102 -10.152 -3.025 -3.804 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.986 -3.252 -0.770 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.150 -2.468 0.532 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.331 -3.030 1.325 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.876 -2.595 1.364 1.00 0.00 C ATOM 0 H LEU A 102 -10.680 -1.036 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.061 -2.464 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.961 -3.434 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.542 -4.226 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.335 -1.419 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.446 -2.470 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.242 -2.942 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.148 -4.080 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.991 -2.037 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.694 -3.645 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.033 -2.194 0.802 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.059 -3.648 -3.593 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.103 -4.237 -4.978 1.00 0.00 C ATOM 1574 C LEU A 103 -6.813 -4.983 -5.322 1.00 0.00 C ATOM 1575 O LEU A 103 -6.092 -5.397 -4.462 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.286 -3.032 -5.903 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.255 -1.954 -5.560 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -5.969 -2.190 -6.356 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.830 -0.583 -5.916 1.00 0.00 C ATOM 0 H LEU A 103 -7.172 -3.735 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.903 -4.971 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.172 -3.339 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.294 -2.631 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.027 -1.996 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.240 -1.419 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.561 -3.169 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.189 -2.150 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.101 0.191 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.056 -0.549 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.743 -0.412 -5.346 1.00 0.00 H new ATOM 1591 N THR A 104 -6.524 -5.165 -6.581 1.00 0.00 N ATOM 1592 CA THR A 104 -5.272 -5.879 -6.967 1.00 0.00 C ATOM 1593 C THR A 104 -4.408 -4.965 -7.845 1.00 0.00 C ATOM 1594 O THR A 104 -3.483 -4.329 -7.382 1.00 0.00 O ATOM 1595 CB THR A 104 -5.703 -7.131 -7.755 1.00 0.00 C ATOM 1596 OG1 THR A 104 -4.728 -7.403 -8.756 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.070 -6.912 -8.418 1.00 0.00 C ATOM 0 H THR A 104 -7.101 -4.850 -7.361 1.00 0.00 H new ATOM 0 HA THR A 104 -4.683 -6.156 -6.093 1.00 0.00 H new ATOM 0 HB THR A 104 -5.785 -7.973 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.992 -8.199 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.355 -7.808 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.817 -6.704 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.010 -6.068 -9.105 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.710 -4.901 -9.116 1.00 0.00 N ATOM 1606 CA LYS A 105 -3.920 -4.036 -10.040 1.00 0.00 C ATOM 1607 C LYS A 105 -4.730 -3.727 -11.301 1.00 0.00 C ATOM 1608 O LYS A 105 -4.220 -3.814 -12.400 1.00 0.00 O ATOM 1609 CB LYS A 105 -2.685 -4.861 -10.389 1.00 0.00 C ATOM 1610 CG LYS A 105 -1.484 -4.312 -9.628 1.00 0.00 C ATOM 1611 CD LYS A 105 -0.788 -5.465 -8.907 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.206 -4.966 -7.591 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.992 -5.676 -6.550 1.00 0.00 N ATOM 0 H LYS A 105 -5.474 -5.414 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.660 -3.079 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.847 -5.907 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.499 -4.823 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.793 -3.825 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.805 -3.557 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.497 -6.272 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.003 -5.875 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.857 -5.196 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.306 -3.885 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.728 -5.317 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.007 -5.514 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.793 -6.696 -6.600 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.970 -3.356 -11.102 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.839 -3.017 -12.248 1.00 0.00 C ATOM 1629 C PRO A 106 -6.424 -1.654 -12.800 1.00 0.00 C ATOM 1630 O PRO A 106 -6.919 -1.199 -13.811 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.238 -2.962 -11.641 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.021 -2.664 -10.191 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.666 -3.214 -9.817 1.00 0.00 C ATOM 0 HA PRO A 106 -6.781 -3.727 -13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.844 -2.190 -12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.764 -3.907 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.063 -1.590 -10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.802 -3.121 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.133 -2.539 -9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.752 -4.171 -9.303 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.511 -1.001 -12.132 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.050 0.329 -12.601 1.00 0.00 C ATOM 1643 C PHE A 107 -6.254 1.211 -12.925 1.00 0.00 C ATOM 1644 O PHE A 107 -7.380 0.841 -12.663 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.198 0.037 -13.835 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.775 -0.191 -13.382 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.520 -1.008 -12.271 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.714 0.425 -14.054 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.206 -1.210 -11.834 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.399 0.225 -13.615 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.144 -0.591 -12.506 1.00 0.00 C ATOM 0 H PHE A 107 -5.065 -1.337 -11.278 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.474 0.872 -11.852 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.576 -0.841 -14.359 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.245 0.871 -14.536 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.340 -1.482 -11.752 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.908 1.054 -14.910 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.011 -1.842 -10.980 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.420 0.701 -14.133 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.871 -0.743 -12.169 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.026 2.385 -13.449 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.156 3.323 -13.752 1.00 0.00 C ATOM 1663 C LEU A 108 -7.838 3.757 -12.442 1.00 0.00 C ATOM 1664 O LEU A 108 -7.980 4.930 -12.171 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.130 2.562 -14.668 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.508 3.239 -14.645 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -10.270 2.810 -13.391 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -9.343 4.764 -14.643 1.00 0.00 C ATOM 0 H LEU A 108 -5.099 2.741 -13.684 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.807 4.229 -14.247 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.743 2.541 -15.687 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.218 1.527 -14.339 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.065 2.939 -15.532 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.248 3.292 -13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.399 1.728 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.708 3.104 -12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.325 5.236 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.780 5.068 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.807 5.073 -15.540 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.250 2.821 -11.624 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.901 3.170 -10.326 1.00 0.00 C ATOM 1682 C ASP A 109 -8.134 2.491 -9.179 1.00 0.00 C ATOM 1683 O ASP A 109 -8.564 2.487 -8.042 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.326 2.613 -10.437 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.924 2.403 -9.043 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.651 1.372 -8.451 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.650 3.275 -8.593 1.00 0.00 O ATOM 0 H ASP A 109 -8.162 1.821 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.907 4.241 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.949 3.301 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.313 1.668 -10.981 1.00 0.00 H new ATOM 1692 N SER A 110 -7.004 1.903 -9.482 1.00 0.00 N ATOM 1693 CA SER A 110 -6.206 1.203 -8.431 1.00 0.00 C ATOM 1694 C SER A 110 -5.467 2.210 -7.528 1.00 0.00 C ATOM 1695 O SER A 110 -6.078 2.892 -6.730 1.00 0.00 O ATOM 1696 CB SER A 110 -5.224 0.335 -9.220 1.00 0.00 C ATOM 1697 OG SER A 110 -4.504 -0.498 -8.322 1.00 0.00 O ATOM 0 H SER A 110 -6.598 1.878 -10.418 1.00 0.00 H new ATOM 0 HA SER A 110 -6.830 0.614 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.762 -0.274 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.534 0.965 -9.781 1.00 0.00 H new ATOM 0 HG SER A 110 -3.876 -1.056 -8.826 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.159 2.289 -7.632 1.00 0.00 N ATOM 1704 CA GLU A 111 -3.375 3.232 -6.767 1.00 0.00 C ATOM 1705 C GLU A 111 -4.151 4.523 -6.471 1.00 0.00 C ATOM 1706 O GLU A 111 -4.030 5.103 -5.408 1.00 0.00 O ATOM 1707 CB GLU A 111 -2.122 3.552 -7.580 1.00 0.00 C ATOM 1708 CG GLU A 111 -1.012 2.575 -7.205 1.00 0.00 C ATOM 1709 CD GLU A 111 -0.134 3.200 -6.120 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -0.506 4.246 -5.615 1.00 0.00 O ATOM 1711 OE2 GLU A 111 0.895 2.621 -5.811 1.00 0.00 O ATOM 0 H GLU A 111 -3.598 1.738 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.155 2.785 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.339 3.482 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.801 4.576 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.441 1.639 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.411 2.335 -8.082 1.00 0.00 H new ATOM 1718 N LEU A 112 -4.943 4.982 -7.395 1.00 0.00 N ATOM 1719 CA LEU A 112 -5.712 6.239 -7.147 1.00 0.00 C ATOM 1720 C LEU A 112 -6.560 6.077 -5.892 1.00 0.00 C ATOM 1721 O LEU A 112 -6.296 6.682 -4.871 1.00 0.00 O ATOM 1722 CB LEU A 112 -6.595 6.431 -8.376 1.00 0.00 C ATOM 1723 CG LEU A 112 -5.707 6.486 -9.609 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -6.575 6.572 -10.863 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -4.801 7.715 -9.532 1.00 0.00 C ATOM 0 H LEU A 112 -5.094 4.549 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.062 7.100 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.309 5.612 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.174 7.350 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.095 5.585 -9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.936 6.611 -11.746 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.220 5.695 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.189 7.471 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.165 7.754 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.413 8.616 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.178 7.653 -8.639 1.00 0.00 H new ATOM 1737 N GLU A 113 -7.567 5.251 -5.946 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.402 5.048 -4.736 1.00 0.00 C ATOM 1739 C GLU A 113 -7.485 4.821 -3.548 1.00 0.00 C ATOM 1740 O GLU A 113 -7.826 5.112 -2.421 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.232 3.792 -5.012 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.444 4.174 -5.854 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.393 2.978 -5.959 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -10.905 1.873 -6.139 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.590 3.186 -5.855 1.00 0.00 O ATOM 0 H GLU A 113 -7.844 4.714 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 113 -9.042 5.903 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -8.629 3.050 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.553 3.339 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.960 5.022 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.125 4.486 -6.848 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.315 4.302 -3.795 1.00 0.00 N ATOM 1753 CA ALA A 114 -5.373 4.053 -2.669 1.00 0.00 C ATOM 1754 C ALA A 114 -5.152 5.345 -1.888 1.00 0.00 C ATOM 1755 O ALA A 114 -5.038 5.342 -0.678 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.074 3.595 -3.328 1.00 0.00 C ATOM 0 H ALA A 114 -5.972 4.041 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.750 3.310 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.328 3.392 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.258 2.688 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.707 4.378 -3.992 1.00 0.00 H new ATOM 1762 N VAL A 115 -5.097 6.450 -2.575 1.00 0.00 N ATOM 1763 CA VAL A 115 -4.889 7.750 -1.872 1.00 0.00 C ATOM 1764 C VAL A 115 -6.190 8.557 -1.846 1.00 0.00 C ATOM 1765 O VAL A 115 -6.505 9.220 -0.878 1.00 0.00 O ATOM 1766 CB VAL A 115 -3.818 8.481 -2.684 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.256 9.639 -1.857 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -2.683 7.512 -3.031 1.00 0.00 C ATOM 0 H VAL A 115 -5.186 6.512 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.585 7.609 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.262 8.865 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.493 10.161 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.060 10.332 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.815 9.250 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.922 8.035 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.240 7.127 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.079 6.683 -3.618 1.00 0.00 H new ATOM 1778 N LEU A 116 -6.941 8.516 -2.911 1.00 0.00 N ATOM 1779 CA LEU A 116 -8.214 9.293 -2.962 1.00 0.00 C ATOM 1780 C LEU A 116 -9.128 8.935 -1.787 1.00 0.00 C ATOM 1781 O LEU A 116 -9.745 9.793 -1.195 1.00 0.00 O ATOM 1782 CB LEU A 116 -8.871 8.888 -4.281 1.00 0.00 C ATOM 1783 CG LEU A 116 -8.468 9.876 -5.372 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.161 11.216 -5.124 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -6.950 10.073 -5.345 1.00 0.00 C ATOM 0 H LEU A 116 -6.729 7.977 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.031 10.366 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.565 7.879 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.955 8.873 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.766 9.487 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.874 11.923 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.242 11.075 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.862 11.606 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.661 10.779 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.651 10.464 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.456 9.117 -5.520 1.00 0.00 H new ATOM 1797 N VAL A 117 -9.230 7.676 -1.461 1.00 0.00 N ATOM 1798 CA VAL A 117 -10.121 7.244 -0.340 1.00 0.00 C ATOM 1799 C VAL A 117 -10.144 8.260 0.813 1.00 0.00 C ATOM 1800 O VAL A 117 -11.099 8.332 1.561 1.00 0.00 O ATOM 1801 CB VAL A 117 -9.523 5.924 0.142 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -8.002 6.061 0.264 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.099 5.584 1.507 1.00 0.00 C ATOM 0 H VAL A 117 -8.730 6.918 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.154 7.153 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.763 5.136 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -7.578 5.118 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.580 6.315 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.764 6.848 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.676 4.642 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.853 6.377 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.182 5.489 1.431 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.103 9.019 0.989 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.079 9.993 2.115 1.00 0.00 C ATOM 1815 C GLN A 118 -10.361 10.840 2.164 1.00 0.00 C ATOM 1816 O GLN A 118 -10.735 11.328 3.212 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.847 10.855 1.863 1.00 0.00 C ATOM 1818 CG GLN A 118 -6.634 10.171 2.499 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.576 10.519 3.985 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -5.945 11.481 4.376 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.217 9.766 4.836 1.00 0.00 N ATOM 0 H GLN A 118 -8.268 9.009 0.404 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.033 9.491 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.689 10.986 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.987 11.849 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.703 9.091 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.719 10.494 2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.746 8.959 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.189 9.984 5.832 1.00 0.00 H new ATOM 1830 N ILE A 119 -11.053 11.015 1.063 1.00 0.00 N ATOM 1831 CA ILE A 119 -12.312 11.827 1.127 1.00 0.00 C ATOM 1832 C ILE A 119 -13.376 11.067 1.924 1.00 0.00 C ATOM 1833 O ILE A 119 -14.435 11.584 2.223 1.00 0.00 O ATOM 1834 CB ILE A 119 -12.787 12.068 -0.316 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -12.615 10.813 -1.176 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -11.980 13.209 -0.933 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -13.180 9.593 -0.448 1.00 0.00 C ATOM 0 H ILE A 119 -10.810 10.642 0.145 1.00 0.00 H new ATOM 0 HA ILE A 119 -12.135 12.780 1.625 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.846 12.324 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.125 10.945 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.559 10.657 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.316 13.381 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -12.125 14.116 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -10.922 12.945 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.052 8.707 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.651 9.455 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.241 9.747 -0.250 1.00 0.00 H new ATOM 1849 N SER A 120 -13.092 9.844 2.279 1.00 0.00 N ATOM 1850 CA SER A 120 -14.064 9.039 3.066 1.00 0.00 C ATOM 1851 C SER A 120 -13.335 8.426 4.260 1.00 0.00 C ATOM 1852 O SER A 120 -12.328 7.763 4.105 1.00 0.00 O ATOM 1853 CB SER A 120 -14.548 7.955 2.105 1.00 0.00 C ATOM 1854 OG SER A 120 -15.377 8.545 1.112 1.00 0.00 O ATOM 0 H SER A 120 -12.220 9.365 2.055 1.00 0.00 H new ATOM 0 HA SER A 120 -14.899 9.624 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.697 7.460 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.101 7.190 2.650 1.00 0.00 H new ATOM 0 HG SER A 120 -15.688 7.853 0.492 1.00 0.00 H new ATOM 1860 N LYS A 121 -13.807 8.658 5.451 1.00 0.00 N ATOM 1861 CA LYS A 121 -13.097 8.098 6.634 1.00 0.00 C ATOM 1862 C LYS A 121 -13.994 8.151 7.866 1.00 0.00 C ATOM 1863 O LYS A 121 -14.015 7.246 8.676 1.00 0.00 O ATOM 1864 CB LYS A 121 -11.885 9.016 6.804 1.00 0.00 C ATOM 1865 CG LYS A 121 -11.148 8.665 8.098 1.00 0.00 C ATOM 1866 CD LYS A 121 -9.645 8.566 7.821 1.00 0.00 C ATOM 1867 CE LYS A 121 -8.872 9.364 8.876 1.00 0.00 C ATOM 1868 NZ LYS A 121 -9.484 10.723 8.866 1.00 0.00 N ATOM 0 H LYS A 121 -14.643 9.204 5.657 1.00 0.00 H new ATOM 0 HA LYS A 121 -12.815 7.053 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -11.214 8.909 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.206 10.057 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -11.339 9.425 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -11.518 7.720 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -9.330 7.523 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -9.423 8.950 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -8.957 8.902 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -7.810 9.409 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.746 11.437 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -9.934 10.894 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -10.199 10.787 9.618 1.00 0.00 H new ATOM 1882 N GLU A 122 -14.731 9.207 8.009 1.00 0.00 N ATOM 1883 CA GLU A 122 -15.634 9.343 9.185 1.00 0.00 C ATOM 1884 C GLU A 122 -17.007 9.832 8.723 1.00 0.00 C ATOM 1885 O GLU A 122 -18.027 9.456 9.265 1.00 0.00 O ATOM 1886 CB GLU A 122 -14.964 10.380 10.098 1.00 0.00 C ATOM 1887 CG GLU A 122 -14.150 11.377 9.262 1.00 0.00 C ATOM 1888 CD GLU A 122 -13.986 12.685 10.038 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -14.963 13.139 10.607 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -12.883 13.208 10.049 1.00 0.00 O ATOM 0 H GLU A 122 -14.750 9.992 7.358 1.00 0.00 H new ATOM 0 HA GLU A 122 -15.786 8.397 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.722 10.911 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -14.313 9.878 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.172 10.957 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -14.652 11.566 8.313 1.00 0.00 H new ATOM 1897 N VAL A 123 -17.038 10.664 7.717 1.00 0.00 N ATOM 1898 CA VAL A 123 -18.342 11.175 7.213 1.00 0.00 C ATOM 1899 C VAL A 123 -18.273 11.398 5.699 1.00 0.00 C ATOM 1900 O VAL A 123 -17.414 12.150 5.268 1.00 0.00 O ATOM 1901 CB VAL A 123 -18.565 12.502 7.944 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -19.086 12.227 9.355 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -17.245 13.273 8.031 1.00 0.00 C ATOM 0 H VAL A 123 -16.216 11.011 7.223 1.00 0.00 H new ATOM 0 HA VAL A 123 -19.156 10.473 7.394 1.00 0.00 H new ATOM 0 HB VAL A 123 -19.295 13.096 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -19.245 13.172 9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -20.029 11.683 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -18.357 11.630 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -17.408 14.216 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -16.512 12.679 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -16.874 13.473 7.026 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 2.493 -9.967 -7.331 1.00 0.00 CA HETATM 1915 BE BEF A 202 1.316 -7.569 -6.322 1.00 0.00 BE HETATM 1916 F1 BEF A 202 2.042 -6.522 -7.065 1.00 0.00 F HETATM 1917 F2 BEF A 202 0.648 -7.382 -7.982 1.00 0.00 F HETATM 1918 F3 BEF A 202 1.446 -8.785 -6.930 1.00 0.00 F