USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 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 21 THR OG1 : rot -160:sc= 0.639 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.71 K(o=-0.072,f=-2.2) USER MOD Set 2.1: A 20 SER OG : rot -113:sc= -1.45 USER MOD Set 2.2: A 39 THR OG1 : rot 156:sc= -0.903 USER MOD Single : A 3 CYS SG : rot -23:sc= -1.52 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-4.8!) USER MOD Single : A 10 HIS : no HE2:sc= -3.2! C(o=-3.2!,f=-7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 169:sc= -3.63! (180deg=-3.96!) USER MOD Single : A 27 MET CE :methyl 145:sc= -2.19! (180deg=-4.26!) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= -0.0904 (180deg=-2.49) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00548 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -6.78! C(o=-6.8!,f=-17!) USER MOD Single : A 38 SER OG : rot -60:sc= -7.15! USER MOD Single : A 44 MET CE :methyl 164:sc= -1.01 (180deg=-1.29) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.23 F(o=-2.6!,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 55 TYR OH : rot 76:sc= -2.89! USER MOD Single : A 56 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.5) USER MOD Single : A 58 SER OG : rot -47:sc= -0.0192 USER MOD Single : A 66 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.4) USER MOD Single : A 71 THR OG1 : rot -63:sc= -0.916 USER MOD Single : A 75 MET CE :methyl 149:sc= -1.76 (180deg=-3.52!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc=-0.000419 K(o=-0.00042,f=-0.55) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.182 (180deg=-0.833) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.874 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -4.71! C(o=-4.7!,f=-7.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.037) USER MOD Single : A 93 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.6!) USER MOD Single : A 100 SER OG : rot -25:sc= 0.24 USER MOD Single : A 102 SER OG : rot -53:sc= 0.00168 USER MOD Single : A 104 SER OG : rot -33:sc= -0.528 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 3 12.965 9.618 1.614 1.00 0.00 N ATOM 2 CA CYS A 3 12.883 9.173 2.994 1.00 0.00 C ATOM 3 C CYS A 3 14.014 8.174 3.247 1.00 0.00 C ATOM 4 O CYS A 3 14.275 7.802 4.390 1.00 0.00 O ATOM 5 CB CYS A 3 11.512 8.575 3.315 1.00 0.00 C ATOM 6 SG CYS A 3 11.516 7.866 5.002 1.00 0.00 S ATOM 0 HA CYS A 3 13.000 10.028 3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.744 9.344 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.264 7.802 2.588 1.00 0.00 H new ATOM 0 HG CYS A 3 12.735 7.577 5.348 1.00 0.00 H new ATOM 11 N THR A 4 14.656 7.770 2.161 1.00 0.00 N ATOM 12 CA THR A 4 15.754 6.822 2.249 1.00 0.00 C ATOM 13 C THR A 4 16.961 7.466 2.934 1.00 0.00 C ATOM 14 O THR A 4 17.635 6.830 3.742 1.00 0.00 O ATOM 15 CB THR A 4 16.055 6.314 0.838 1.00 0.00 C ATOM 16 OG1 THR A 4 14.853 5.658 0.442 1.00 0.00 O ATOM 17 CG2 THR A 4 17.107 5.203 0.828 1.00 0.00 C ATOM 0 H THR A 4 14.437 8.082 1.215 1.00 0.00 H new ATOM 0 HA THR A 4 15.488 5.965 2.868 1.00 0.00 H new ATOM 0 HB THR A 4 16.397 7.143 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.959 5.299 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.284 4.878 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 4 18.037 5.579 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.751 4.359 1.419 1.00 0.00 H new ATOM 25 N PHE A 5 17.198 8.723 2.586 1.00 0.00 N ATOM 26 CA PHE A 5 18.311 9.461 3.156 1.00 0.00 C ATOM 27 C PHE A 5 17.890 10.191 4.432 1.00 0.00 C ATOM 28 O PHE A 5 17.973 9.635 5.527 1.00 0.00 O ATOM 29 CB PHE A 5 18.747 10.492 2.113 1.00 0.00 C ATOM 30 CG PHE A 5 19.684 11.572 2.658 1.00 0.00 C ATOM 31 CD1 PHE A 5 20.572 11.267 3.642 1.00 0.00 C ATOM 32 CD2 PHE A 5 19.630 12.835 2.158 1.00 0.00 C ATOM 33 CE1 PHE A 5 21.441 12.269 4.149 1.00 0.00 C ATOM 34 CE2 PHE A 5 20.499 13.836 2.664 1.00 0.00 C ATOM 35 CZ PHE A 5 21.387 13.533 3.649 1.00 0.00 C ATOM 0 H PHE A 5 16.637 9.249 1.916 1.00 0.00 H new ATOM 0 HA PHE A 5 19.119 8.775 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 5 19.244 9.975 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 5 17.860 10.971 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 5 20.616 10.263 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 5 18.926 13.076 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 5 22.145 12.028 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 5 20.455 14.839 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 5 22.048 14.295 4.034 1.00 0.00 H new ATOM 44 N PHE A 6 17.444 11.426 4.250 1.00 0.00 N ATOM 45 CA PHE A 6 17.009 12.238 5.373 1.00 0.00 C ATOM 46 C PHE A 6 15.537 12.628 5.230 1.00 0.00 C ATOM 47 O PHE A 6 14.693 12.179 6.002 1.00 0.00 O ATOM 48 CB PHE A 6 17.864 13.506 5.366 1.00 0.00 C ATOM 49 CG PHE A 6 17.568 14.463 6.523 1.00 0.00 C ATOM 50 CD1 PHE A 6 16.478 15.276 6.471 1.00 0.00 C ATOM 51 CD2 PHE A 6 18.393 14.501 7.603 1.00 0.00 C ATOM 52 CE1 PHE A 6 16.203 16.164 7.544 1.00 0.00 C ATOM 53 CE2 PHE A 6 18.118 15.390 8.676 1.00 0.00 C ATOM 54 CZ PHE A 6 17.028 16.203 8.623 1.00 0.00 C ATOM 0 H PHE A 6 17.375 11.884 3.341 1.00 0.00 H new ATOM 0 HA PHE A 6 17.120 11.678 6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 6 18.916 13.223 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.708 14.032 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.822 15.246 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 6 19.258 13.855 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.338 16.809 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 6 18.774 15.421 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.819 16.879 9.439 1.00 0.00 H new ATOM 63 N GLU A 7 15.274 13.463 4.234 1.00 0.00 N ATOM 64 CA GLU A 7 13.919 13.920 3.978 1.00 0.00 C ATOM 65 C GLU A 7 13.257 14.375 5.281 1.00 0.00 C ATOM 66 O GLU A 7 13.901 14.412 6.329 1.00 0.00 O ATOM 67 CB GLU A 7 13.092 12.828 3.297 1.00 0.00 C ATOM 68 CG GLU A 7 12.603 13.289 1.922 1.00 0.00 C ATOM 69 CD GLU A 7 11.332 14.134 2.047 1.00 0.00 C ATOM 70 OE1 GLU A 7 10.510 13.795 2.924 1.00 0.00 O ATOM 71 OE2 GLU A 7 11.214 15.099 1.262 1.00 0.00 O ATOM 0 H GLU A 7 15.977 13.834 3.595 1.00 0.00 H new ATOM 0 HA GLU A 7 13.966 14.772 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.693 11.925 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.238 12.570 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.383 13.870 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.407 12.421 1.292 1.00 0.00 H new ATOM 76 N LYS A 8 11.980 14.711 5.174 1.00 0.00 N ATOM 77 CA LYS A 8 11.225 15.162 6.330 1.00 0.00 C ATOM 78 C LYS A 8 10.172 14.112 6.687 1.00 0.00 C ATOM 79 O LYS A 8 9.882 13.893 7.862 1.00 0.00 O ATOM 80 CB LYS A 8 10.644 16.556 6.079 1.00 0.00 C ATOM 81 CG LYS A 8 11.633 17.645 6.498 1.00 0.00 C ATOM 82 CD LYS A 8 12.276 18.302 5.275 1.00 0.00 C ATOM 83 CE LYS A 8 13.561 19.038 5.659 1.00 0.00 C ATOM 84 NZ LYS A 8 13.291 20.477 5.871 1.00 0.00 N ATOM 0 H LYS A 8 11.449 14.680 4.304 1.00 0.00 H new ATOM 0 HA LYS A 8 11.879 15.265 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.401 16.668 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.713 16.672 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.118 18.400 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.407 17.214 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.498 17.543 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.573 19.002 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.979 18.603 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.307 18.914 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.174 20.961 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.913 20.892 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.596 20.591 6.636 1.00 0.00 H new ATOM 94 N HIS A 9 9.627 13.490 5.651 1.00 0.00 N ATOM 95 CA HIS A 9 8.612 12.468 5.842 1.00 0.00 C ATOM 96 C HIS A 9 7.799 12.308 4.557 1.00 0.00 C ATOM 97 O HIS A 9 7.200 11.259 4.323 1.00 0.00 O ATOM 98 CB HIS A 9 7.741 12.787 7.059 1.00 0.00 C ATOM 99 CG HIS A 9 7.413 14.253 7.212 1.00 0.00 C ATOM 100 ND1 HIS A 9 7.630 14.950 8.389 1.00 0.00 N ATOM 101 CD2 HIS A 9 6.884 15.145 6.327 1.00 0.00 C ATOM 102 CE1 HIS A 9 7.244 16.204 8.207 1.00 0.00 C ATOM 103 NE2 HIS A 9 6.781 16.323 6.930 1.00 0.00 N ATOM 0 H HIS A 9 9.869 13.674 4.677 1.00 0.00 H new ATOM 0 HA HIS A 9 9.089 11.511 6.051 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.811 12.223 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.252 12.444 7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.597 14.930 5.308 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.288 16.994 8.942 1.00 0.00 H new ATOM 0 HE2 HIS A 9 6.416 17.177 6.508 1.00 0.00 H new ATOM 110 N HIS A 10 7.801 13.363 3.756 1.00 0.00 N ATOM 111 CA HIS A 10 7.070 13.353 2.501 1.00 0.00 C ATOM 112 C HIS A 10 7.307 12.024 1.780 1.00 0.00 C ATOM 113 O HIS A 10 6.414 11.510 1.109 1.00 0.00 O ATOM 114 CB HIS A 10 7.444 14.565 1.645 1.00 0.00 C ATOM 115 CG HIS A 10 6.554 15.767 1.861 1.00 0.00 C ATOM 116 ND1 HIS A 10 5.520 16.098 1.003 1.00 0.00 N ATOM 117 CD2 HIS A 10 6.554 16.709 2.846 1.00 0.00 C ATOM 118 CE1 HIS A 10 4.932 17.194 1.459 1.00 0.00 C ATOM 119 NE2 HIS A 10 5.574 17.571 2.602 1.00 0.00 N ATOM 0 H HIS A 10 8.298 14.232 3.952 1.00 0.00 H new ATOM 0 HA HIS A 10 6.001 13.435 2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.475 14.845 1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.405 14.281 0.593 1.00 0.00 H new ATOM 0 HD1 HIS A 10 5.255 15.585 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.235 16.748 3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.092 17.700 1.006 1.00 0.00 H new ATOM 126 N ARG A 11 8.515 11.505 1.945 1.00 0.00 N ATOM 127 CA ARG A 11 8.879 10.246 1.319 1.00 0.00 C ATOM 128 C ARG A 11 8.510 9.073 2.229 1.00 0.00 C ATOM 129 O ARG A 11 8.273 7.964 1.753 1.00 0.00 O ATOM 130 CB ARG A 11 10.379 10.195 1.017 1.00 0.00 C ATOM 131 CG ARG A 11 10.657 10.557 -0.445 1.00 0.00 C ATOM 132 CD ARG A 11 10.898 12.060 -0.600 1.00 0.00 C ATOM 133 NE ARG A 11 12.300 12.308 -1.005 1.00 0.00 N ATOM 134 CZ ARG A 11 12.795 13.518 -1.294 1.00 0.00 C ATOM 135 NH1 ARG A 11 12.006 14.599 -1.225 1.00 0.00 N ATOM 136 NH2 ARG A 11 14.081 13.649 -1.652 1.00 0.00 N ATOM 0 H ARG A 11 9.254 11.934 2.503 1.00 0.00 H new ATOM 0 HA ARG A 11 8.327 10.171 0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.909 10.885 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.762 9.197 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.528 10.007 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.813 10.254 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.217 12.471 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.687 12.570 0.340 1.00 0.00 H new ATOM 0 HE ARG A 11 12.928 11.507 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.028 14.500 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.383 15.521 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.682 12.827 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.458 14.571 -1.872 1.00 0.00 H new ATOM 147 N LYS A 12 8.473 9.359 3.522 1.00 0.00 N ATOM 148 CA LYS A 12 8.136 8.342 4.505 1.00 0.00 C ATOM 149 C LYS A 12 6.896 7.579 4.036 1.00 0.00 C ATOM 150 O LYS A 12 6.824 6.359 4.177 1.00 0.00 O ATOM 151 CB LYS A 12 7.985 8.967 5.893 1.00 0.00 C ATOM 152 CG LYS A 12 8.660 8.103 6.959 1.00 0.00 C ATOM 153 CD LYS A 12 9.335 8.971 8.023 1.00 0.00 C ATOM 154 CE LYS A 12 8.572 8.907 9.348 1.00 0.00 C ATOM 155 NZ LYS A 12 9.104 9.906 10.301 1.00 0.00 N ATOM 0 H LYS A 12 8.671 10.280 3.912 1.00 0.00 H new ATOM 0 HA LYS A 12 8.944 7.616 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.424 9.965 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.928 9.084 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.920 7.455 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.400 7.454 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.361 8.636 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.385 10.004 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.512 9.091 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.656 7.908 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.575 9.849 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.110 9.713 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.001 10.859 9.898 1.00 0.00 H new ATOM 165 N TRP A 13 5.951 8.328 3.487 1.00 0.00 N ATOM 166 CA TRP A 13 4.718 7.736 2.997 1.00 0.00 C ATOM 167 C TRP A 13 5.085 6.542 2.114 1.00 0.00 C ATOM 168 O TRP A 13 4.385 5.529 2.111 1.00 0.00 O ATOM 169 CB TRP A 13 3.861 8.775 2.272 1.00 0.00 C ATOM 170 CG TRP A 13 2.495 8.252 1.823 1.00 0.00 C ATOM 171 CD1 TRP A 13 1.939 7.062 2.089 1.00 0.00 C ATOM 172 CD2 TRP A 13 1.529 8.956 1.014 1.00 0.00 C ATOM 173 NE1 TRP A 13 0.691 6.947 1.512 1.00 0.00 N ATOM 174 CE2 TRP A 13 0.433 8.135 0.838 1.00 0.00 C ATOM 175 CE3 TRP A 13 1.579 10.242 0.450 1.00 0.00 C ATOM 176 CZ2 TRP A 13 -0.695 8.511 0.098 1.00 0.00 C ATOM 177 CZ3 TRP A 13 0.444 10.603 -0.287 1.00 0.00 C ATOM 178 CH2 TRP A 13 -0.666 9.789 -0.474 1.00 0.00 C ATOM 0 H TRP A 13 6.014 9.339 3.371 1.00 0.00 H new ATOM 0 HA TRP A 13 4.105 7.381 3.825 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.712 9.631 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.406 9.135 1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.409 6.290 2.681 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.072 6.139 1.569 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.426 10.900 0.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.541 7.851 -0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.431 11.583 -0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.504 10.140 -1.058 1.00 0.00 H new ATOM 188 N ASP A 14 6.180 6.700 1.386 1.00 0.00 N ATOM 189 CA ASP A 14 6.648 5.647 0.500 1.00 0.00 C ATOM 190 C ASP A 14 7.330 4.556 1.328 1.00 0.00 C ATOM 191 O ASP A 14 7.368 3.396 0.921 1.00 0.00 O ATOM 192 CB ASP A 14 7.669 6.185 -0.504 1.00 0.00 C ATOM 193 CG ASP A 14 7.241 7.455 -1.244 1.00 0.00 C ATOM 194 OD1 ASP A 14 6.326 7.339 -2.086 1.00 0.00 O ATOM 195 OD2 ASP A 14 7.839 8.512 -0.949 1.00 0.00 O ATOM 0 H ASP A 14 6.757 7.541 1.391 1.00 0.00 H new ATOM 0 HA ASP A 14 5.787 5.252 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.602 6.386 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.878 5.407 -1.239 1.00 0.00 H new ATOM 199 N ILE A 15 7.851 4.966 2.475 1.00 0.00 N ATOM 200 CA ILE A 15 8.529 4.037 3.363 1.00 0.00 C ATOM 201 C ILE A 15 7.532 2.986 3.854 1.00 0.00 C ATOM 202 O ILE A 15 7.893 1.828 4.055 1.00 0.00 O ATOM 203 CB ILE A 15 9.231 4.793 4.494 1.00 0.00 C ATOM 204 CG1 ILE A 15 10.653 4.268 4.703 1.00 0.00 C ATOM 205 CG2 ILE A 15 8.406 4.745 5.781 1.00 0.00 C ATOM 206 CD1 ILE A 15 10.661 2.743 4.832 1.00 0.00 C ATOM 0 H ILE A 15 7.817 5.929 2.810 1.00 0.00 H new ATOM 0 HA ILE A 15 9.316 3.505 2.828 1.00 0.00 H new ATOM 0 HB ILE A 15 9.314 5.841 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.282 4.569 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.081 4.715 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.928 5.290 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.433 5.203 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.269 3.708 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.684 2.396 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.050 2.447 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.255 2.299 3.923 1.00 0.00 H new ATOM 217 N LEU A 16 6.295 3.429 4.032 1.00 0.00 N ATOM 218 CA LEU A 16 5.243 2.540 4.495 1.00 0.00 C ATOM 219 C LEU A 16 4.630 1.814 3.295 1.00 0.00 C ATOM 220 O LEU A 16 4.237 0.653 3.403 1.00 0.00 O ATOM 221 CB LEU A 16 4.221 3.311 5.334 1.00 0.00 C ATOM 222 CG LEU A 16 3.265 2.461 6.174 1.00 0.00 C ATOM 223 CD1 LEU A 16 2.245 1.745 5.286 1.00 0.00 C ATOM 224 CD2 LEU A 16 4.037 1.484 7.063 1.00 0.00 C ATOM 0 H LEU A 16 5.999 4.390 3.864 1.00 0.00 H new ATOM 0 HA LEU A 16 5.653 1.776 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.761 3.982 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.628 3.935 4.665 1.00 0.00 H new ATOM 0 HG LEU A 16 2.707 3.125 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.578 1.148 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.663 2.482 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.767 1.094 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.334 0.892 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.637 0.821 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.690 2.041 7.734 1.00 0.00 H new ATOM 235 N LEU A 17 4.567 2.527 2.181 1.00 0.00 N ATOM 236 CA LEU A 17 4.009 1.965 0.963 1.00 0.00 C ATOM 237 C LEU A 17 5.035 1.030 0.321 1.00 0.00 C ATOM 238 O LEU A 17 4.730 0.338 -0.649 1.00 0.00 O ATOM 239 CB LEU A 17 3.525 3.078 0.032 1.00 0.00 C ATOM 240 CG LEU A 17 2.647 2.637 -1.141 1.00 0.00 C ATOM 241 CD1 LEU A 17 1.901 1.343 -0.811 1.00 0.00 C ATOM 242 CD2 LEU A 17 1.695 3.757 -1.566 1.00 0.00 C ATOM 0 H LEU A 17 4.893 3.490 2.096 1.00 0.00 H new ATOM 0 HA LEU A 17 3.128 1.365 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.968 3.803 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.397 3.595 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 17 3.295 2.427 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.284 1.052 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.621 0.553 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.266 1.501 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.083 3.417 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.050 4.024 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.273 4.629 -1.871 1.00 0.00 H new ATOM 253 N GLU A 18 6.233 1.039 0.889 1.00 0.00 N ATOM 254 CA GLU A 18 7.306 0.200 0.383 1.00 0.00 C ATOM 255 C GLU A 18 7.752 -0.796 1.457 1.00 0.00 C ATOM 256 O GLU A 18 8.347 -1.825 1.144 1.00 0.00 O ATOM 257 CB GLU A 18 8.483 1.048 -0.100 1.00 0.00 C ATOM 258 CG GLU A 18 8.121 1.813 -1.375 1.00 0.00 C ATOM 259 CD GLU A 18 9.265 1.760 -2.390 1.00 0.00 C ATOM 260 OE1 GLU A 18 9.842 0.662 -2.540 1.00 0.00 O ATOM 261 OE2 GLU A 18 9.538 2.821 -2.993 1.00 0.00 O ATOM 0 H GLU A 18 6.483 1.614 1.694 1.00 0.00 H new ATOM 0 HA GLU A 18 6.930 -0.361 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.773 1.751 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.344 0.407 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.219 1.387 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.896 2.851 -1.129 1.00 0.00 H new ATOM 266 N LYS A 19 7.447 -0.453 2.700 1.00 0.00 N ATOM 267 CA LYS A 19 7.808 -1.303 3.821 1.00 0.00 C ATOM 268 C LYS A 19 6.609 -2.174 4.202 1.00 0.00 C ATOM 269 O LYS A 19 6.741 -3.106 4.995 1.00 0.00 O ATOM 270 CB LYS A 19 8.350 -0.462 4.978 1.00 0.00 C ATOM 271 CG LYS A 19 8.899 -1.355 6.094 1.00 0.00 C ATOM 272 CD LYS A 19 8.078 -1.197 7.376 1.00 0.00 C ATOM 273 CE LYS A 19 8.876 -0.456 8.450 1.00 0.00 C ATOM 274 NZ LYS A 19 9.732 -1.400 9.204 1.00 0.00 N ATOM 0 H LYS A 19 6.954 0.403 2.955 1.00 0.00 H new ATOM 0 HA LYS A 19 8.617 -1.978 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.138 0.198 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.558 0.174 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.882 -2.397 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.940 -1.099 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.160 -0.651 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.785 -2.179 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.494 0.313 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.194 0.051 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.267 -0.880 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.136 -2.119 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.395 -1.865 8.551 1.00 0.00 H new ATOM 284 N SER A 20 5.467 -1.841 3.620 1.00 0.00 N ATOM 285 CA SER A 20 4.245 -2.580 3.889 1.00 0.00 C ATOM 286 C SER A 20 3.685 -3.156 2.587 1.00 0.00 C ATOM 287 O SER A 20 3.231 -4.299 2.554 1.00 0.00 O ATOM 288 CB SER A 20 3.202 -1.692 4.569 1.00 0.00 C ATOM 289 OG SER A 20 3.724 -1.044 5.726 1.00 0.00 O ATOM 0 H SER A 20 5.362 -1.068 2.962 1.00 0.00 H new ATOM 0 HA SER A 20 4.483 -3.399 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.849 -0.942 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.340 -2.296 4.850 1.00 0.00 H new ATOM 0 HG SER A 20 3.281 -1.396 6.526 1.00 0.00 H new ATOM 294 N THR A 21 3.735 -2.338 1.546 1.00 0.00 N ATOM 295 CA THR A 21 3.237 -2.752 0.245 1.00 0.00 C ATOM 296 C THR A 21 4.333 -2.612 -0.814 1.00 0.00 C ATOM 297 O THR A 21 4.084 -2.108 -1.907 1.00 0.00 O ATOM 298 CB THR A 21 1.985 -1.929 -0.066 1.00 0.00 C ATOM 299 OG1 THR A 21 0.922 -2.691 0.500 1.00 0.00 O ATOM 300 CG2 THR A 21 1.663 -1.895 -1.561 1.00 0.00 C ATOM 0 H THR A 21 4.113 -1.391 1.577 1.00 0.00 H new ATOM 0 HA THR A 21 2.960 -3.806 0.245 1.00 0.00 H new ATOM 0 HB THR A 21 2.119 -0.911 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.073 -2.420 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.766 -1.298 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.499 -1.452 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.495 -2.910 -1.920 1.00 0.00 H new ATOM 308 N GLY A 22 5.523 -3.068 -0.451 1.00 0.00 N ATOM 309 CA GLY A 22 6.658 -3.000 -1.355 1.00 0.00 C ATOM 310 C GLY A 22 7.849 -3.785 -0.801 1.00 0.00 C ATOM 311 O GLY A 22 8.995 -3.512 -1.155 1.00 0.00 O ATOM 0 H GLY A 22 5.726 -3.486 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.376 -3.400 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.944 -1.959 -1.508 1.00 0.00 H new ATOM 315 N VAL A 23 7.536 -4.743 0.059 1.00 0.00 N ATOM 316 CA VAL A 23 8.566 -5.569 0.665 1.00 0.00 C ATOM 317 C VAL A 23 8.253 -7.044 0.402 1.00 0.00 C ATOM 318 O VAL A 23 9.104 -7.784 -0.088 1.00 0.00 O ATOM 319 CB VAL A 23 8.690 -5.242 2.155 1.00 0.00 C ATOM 320 CG1 VAL A 23 9.831 -4.255 2.406 1.00 0.00 C ATOM 321 CG2 VAL A 23 7.369 -4.705 2.709 1.00 0.00 C ATOM 0 H VAL A 23 6.584 -4.965 0.350 1.00 0.00 H new ATOM 0 HA VAL A 23 9.537 -5.357 0.217 1.00 0.00 H new ATOM 0 HB VAL A 23 8.924 -6.166 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.898 -4.039 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.770 -4.690 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.640 -3.331 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.484 -4.480 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.092 -3.797 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.588 -5.455 2.579 1.00 0.00 H new ATOM 331 N MET A 24 7.029 -7.425 0.737 1.00 0.00 N ATOM 332 CA MET A 24 6.593 -8.797 0.542 1.00 0.00 C ATOM 333 C MET A 24 7.058 -9.689 1.695 1.00 0.00 C ATOM 334 O MET A 24 7.322 -10.874 1.501 1.00 0.00 O ATOM 335 CB MET A 24 7.160 -9.331 -0.775 1.00 0.00 C ATOM 336 CG MET A 24 6.331 -10.509 -1.290 1.00 0.00 C ATOM 337 SD MET A 24 7.406 -11.756 -1.982 1.00 0.00 S ATOM 338 CE MET A 24 8.247 -12.293 -0.502 1.00 0.00 C ATOM 0 H MET A 24 6.326 -6.807 1.142 1.00 0.00 H new ATOM 0 HA MET A 24 5.504 -8.811 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.170 -8.535 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.194 -9.645 -0.630 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.744 -10.934 -0.476 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.626 -10.165 -2.046 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.813 -13.200 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.928 -11.511 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.515 -12.497 0.279 1.00 0.00 H new ATOM 346 N GLU A 25 7.143 -9.084 2.872 1.00 0.00 N ATOM 347 CA GLU A 25 7.570 -9.809 4.057 1.00 0.00 C ATOM 348 C GLU A 25 7.966 -8.829 5.163 1.00 0.00 C ATOM 349 O GLU A 25 7.628 -9.033 6.328 1.00 0.00 O ATOM 350 CB GLU A 25 8.721 -10.762 3.730 1.00 0.00 C ATOM 351 CG GLU A 25 8.265 -12.221 3.812 1.00 0.00 C ATOM 352 CD GLU A 25 9.447 -13.151 4.088 1.00 0.00 C ATOM 353 OE1 GLU A 25 10.386 -13.136 3.262 1.00 0.00 O ATOM 354 OE2 GLU A 25 9.386 -13.857 5.118 1.00 0.00 O ATOM 0 H GLU A 25 6.923 -8.100 3.030 1.00 0.00 H new ATOM 0 HA GLU A 25 6.734 -10.411 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.099 -10.551 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.545 -10.595 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.521 -12.329 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.783 -12.508 2.878 1.00 0.00 H new ATOM 359 N ALA A 26 8.677 -7.787 4.761 1.00 0.00 N ATOM 360 CA ALA A 26 9.124 -6.775 5.703 1.00 0.00 C ATOM 361 C ALA A 26 7.920 -6.251 6.489 1.00 0.00 C ATOM 362 O ALA A 26 8.072 -5.756 7.604 1.00 0.00 O ATOM 363 CB ALA A 26 9.858 -5.664 4.951 1.00 0.00 C ATOM 0 H ALA A 26 8.955 -7.621 3.794 1.00 0.00 H new ATOM 0 HA ALA A 26 9.827 -7.201 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.193 -4.905 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.721 -6.083 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.184 -5.210 4.224 1.00 0.00 H new ATOM 369 N MET A 27 6.753 -6.378 5.875 1.00 0.00 N ATOM 370 CA MET A 27 5.524 -5.922 6.504 1.00 0.00 C ATOM 371 C MET A 27 4.354 -5.974 5.520 1.00 0.00 C ATOM 372 O MET A 27 3.451 -5.142 5.580 1.00 0.00 O ATOM 373 CB MET A 27 5.707 -4.488 7.005 1.00 0.00 C ATOM 374 CG MET A 27 5.306 -4.366 8.475 1.00 0.00 C ATOM 375 SD MET A 27 6.752 -4.084 9.482 1.00 0.00 S ATOM 376 CE MET A 27 7.078 -5.751 10.031 1.00 0.00 C ATOM 0 H MET A 27 6.632 -6.790 4.950 1.00 0.00 H new ATOM 0 HA MET A 27 5.300 -6.582 7.342 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.747 -4.186 6.882 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.104 -3.809 6.402 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.600 -3.545 8.601 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.799 -5.275 8.799 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.154 -5.904 10.109 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.617 -5.910 11.006 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.662 -6.458 9.313 1.00 0.00 H new ATOM 384 N LYS A 28 4.407 -6.961 4.637 1.00 0.00 N ATOM 385 CA LYS A 28 3.362 -7.132 3.642 1.00 0.00 C ATOM 386 C LYS A 28 2.691 -8.492 3.842 1.00 0.00 C ATOM 387 O LYS A 28 1.643 -8.764 3.258 1.00 0.00 O ATOM 388 CB LYS A 28 3.924 -6.926 2.234 1.00 0.00 C ATOM 389 CG LYS A 28 2.800 -6.860 1.199 1.00 0.00 C ATOM 390 CD LYS A 28 3.331 -7.148 -0.206 1.00 0.00 C ATOM 391 CE LYS A 28 4.380 -6.114 -0.619 1.00 0.00 C ATOM 392 NZ LYS A 28 5.277 -6.671 -1.657 1.00 0.00 N ATOM 0 H LYS A 28 5.157 -7.650 4.590 1.00 0.00 H new ATOM 0 HA LYS A 28 2.590 -6.373 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.507 -6.005 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.603 -7.742 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.024 -7.582 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.337 -5.873 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.768 -8.146 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.507 -7.139 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.887 -5.219 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.964 -5.812 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.256 -6.381 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.215 -7.709 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.991 -6.314 -2.591 1.00 0.00 H new ATOM 402 N VAL A 29 3.323 -9.312 4.670 1.00 0.00 N ATOM 403 CA VAL A 29 2.800 -10.637 4.955 1.00 0.00 C ATOM 404 C VAL A 29 3.114 -11.005 6.406 1.00 0.00 C ATOM 405 O VAL A 29 3.815 -11.983 6.665 1.00 0.00 O ATOM 406 CB VAL A 29 3.357 -11.647 3.948 1.00 0.00 C ATOM 407 CG1 VAL A 29 4.813 -11.990 4.265 1.00 0.00 C ATOM 408 CG2 VAL A 29 2.493 -12.909 3.904 1.00 0.00 C ATOM 0 H VAL A 29 4.192 -9.084 5.152 1.00 0.00 H new ATOM 0 HA VAL A 29 1.716 -10.651 4.844 1.00 0.00 H new ATOM 0 HB VAL A 29 3.329 -11.187 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.185 -12.709 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.418 -11.084 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.876 -12.422 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.910 -13.610 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.475 -13.372 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.478 -12.645 3.609 1.00 0.00 H new ATOM 418 N THR A 30 2.583 -10.202 7.315 1.00 0.00 N ATOM 419 CA THR A 30 2.799 -10.429 8.734 1.00 0.00 C ATOM 420 C THR A 30 1.875 -11.539 9.242 1.00 0.00 C ATOM 421 O THR A 30 2.344 -12.562 9.737 1.00 0.00 O ATOM 422 CB THR A 30 2.606 -9.097 9.461 1.00 0.00 C ATOM 423 OG1 THR A 30 3.200 -8.137 8.592 1.00 0.00 O ATOM 424 CG2 THR A 30 3.437 -9.004 10.743 1.00 0.00 C ATOM 0 H THR A 30 2.003 -9.392 7.097 1.00 0.00 H new ATOM 0 HA THR A 30 3.813 -10.778 8.930 1.00 0.00 H new ATOM 0 HB THR A 30 1.551 -8.965 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.118 -7.244 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.263 -8.039 11.220 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.146 -9.803 11.424 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.495 -9.103 10.499 1.00 0.00 H new ATOM 432 N SER A 31 0.580 -11.297 9.103 1.00 0.00 N ATOM 433 CA SER A 31 -0.412 -12.263 9.542 1.00 0.00 C ATOM 434 C SER A 31 -1.726 -12.042 8.789 1.00 0.00 C ATOM 435 O SER A 31 -2.790 -12.444 9.259 1.00 0.00 O ATOM 436 CB SER A 31 -0.643 -12.169 11.051 1.00 0.00 C ATOM 437 OG SER A 31 -0.114 -13.297 11.742 1.00 0.00 O ATOM 0 H SER A 31 0.195 -10.446 8.693 1.00 0.00 H new ATOM 0 HA SER A 31 -0.037 -13.262 9.321 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.179 -11.259 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.712 -12.090 11.250 1.00 0.00 H new ATOM 0 HG SER A 31 -0.280 -13.199 12.703 1.00 0.00 H new ATOM 442 N GLU A 32 -1.610 -11.401 7.635 1.00 0.00 N ATOM 443 CA GLU A 32 -2.775 -11.121 6.813 1.00 0.00 C ATOM 444 C GLU A 32 -3.678 -10.098 7.505 1.00 0.00 C ATOM 445 O GLU A 32 -3.883 -8.999 6.991 1.00 0.00 O ATOM 446 CB GLU A 32 -3.544 -12.406 6.496 1.00 0.00 C ATOM 447 CG GLU A 32 -3.159 -12.950 5.119 1.00 0.00 C ATOM 448 CD GLU A 32 -3.523 -14.430 4.993 1.00 0.00 C ATOM 449 OE1 GLU A 32 -2.831 -15.242 5.645 1.00 0.00 O ATOM 450 OE2 GLU A 32 -4.484 -14.717 4.248 1.00 0.00 O ATOM 0 H GLU A 32 -0.726 -11.067 7.250 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.436 -10.697 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.335 -13.156 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.616 -12.210 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.669 -12.379 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.089 -12.820 4.959 1.00 0.00 H new ATOM 455 N GLU A 33 -4.194 -10.496 8.658 1.00 0.00 N ATOM 456 CA GLU A 33 -5.071 -9.627 9.425 1.00 0.00 C ATOM 457 C GLU A 33 -4.289 -8.427 9.966 1.00 0.00 C ATOM 458 O GLU A 33 -4.819 -7.321 10.045 1.00 0.00 O ATOM 459 CB GLU A 33 -5.749 -10.396 10.560 1.00 0.00 C ATOM 460 CG GLU A 33 -7.191 -9.925 10.757 1.00 0.00 C ATOM 461 CD GLU A 33 -8.063 -11.048 11.323 1.00 0.00 C ATOM 462 OE1 GLU A 33 -8.176 -12.083 10.631 1.00 0.00 O ATOM 463 OE2 GLU A 33 -8.595 -10.846 12.436 1.00 0.00 O ATOM 0 H GLU A 33 -4.022 -11.408 9.080 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.854 -9.257 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.738 -11.463 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.188 -10.257 11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.209 -9.070 11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.600 -9.587 9.805 1.00 0.00 H new ATOM 468 N LYS A 34 -3.041 -8.689 10.325 1.00 0.00 N ATOM 469 CA LYS A 34 -2.181 -7.646 10.857 1.00 0.00 C ATOM 470 C LYS A 34 -1.425 -6.978 9.705 1.00 0.00 C ATOM 471 O LYS A 34 -1.069 -5.803 9.790 1.00 0.00 O ATOM 472 CB LYS A 34 -1.267 -8.207 11.948 1.00 0.00 C ATOM 473 CG LYS A 34 -1.906 -8.055 13.329 1.00 0.00 C ATOM 474 CD LYS A 34 -2.131 -9.421 13.983 1.00 0.00 C ATOM 475 CE LYS A 34 -2.039 -9.321 15.507 1.00 0.00 C ATOM 476 NZ LYS A 34 -2.212 -10.655 16.124 1.00 0.00 N ATOM 0 H LYS A 34 -2.605 -9.609 10.258 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.777 -6.872 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.063 -9.260 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.309 -7.688 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.265 -7.445 13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.857 -7.530 13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.110 -9.807 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.389 -10.130 13.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.073 -8.904 15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.803 -8.639 15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.147 -10.570 17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.144 -11.039 15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.467 -11.295 15.782 1.00 0.00 H new ATOM 486 N GLU A 35 -1.202 -7.756 8.656 1.00 0.00 N ATOM 487 CA GLU A 35 -0.496 -7.255 7.489 1.00 0.00 C ATOM 488 C GLU A 35 -1.381 -6.280 6.711 1.00 0.00 C ATOM 489 O GLU A 35 -0.894 -5.537 5.861 1.00 0.00 O ATOM 490 CB GLU A 35 -0.029 -8.405 6.596 1.00 0.00 C ATOM 491 CG GLU A 35 -1.042 -8.681 5.482 1.00 0.00 C ATOM 492 CD GLU A 35 -0.910 -7.655 4.355 1.00 0.00 C ATOM 493 OE1 GLU A 35 0.203 -7.102 4.219 1.00 0.00 O ATOM 494 OE2 GLU A 35 -1.923 -7.448 3.653 1.00 0.00 O ATOM 0 H GLU A 35 -1.498 -8.730 8.590 1.00 0.00 H new ATOM 0 HA GLU A 35 0.391 -6.719 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.939 -8.161 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.110 -9.304 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.887 -9.684 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.053 -8.652 5.889 1.00 0.00 H new ATOM 499 N GLN A 36 -2.666 -6.314 7.030 1.00 0.00 N ATOM 500 CA GLN A 36 -3.624 -5.442 6.371 1.00 0.00 C ATOM 501 C GLN A 36 -4.075 -4.332 7.323 1.00 0.00 C ATOM 502 O GLN A 36 -4.241 -3.185 6.911 1.00 0.00 O ATOM 503 CB GLN A 36 -4.823 -6.238 5.850 1.00 0.00 C ATOM 504 CG GLN A 36 -4.409 -7.166 4.707 1.00 0.00 C ATOM 505 CD GLN A 36 -5.617 -7.927 4.154 1.00 0.00 C ATOM 506 OE1 GLN A 36 -6.563 -7.353 3.641 1.00 0.00 O ATOM 507 NE2 GLN A 36 -5.531 -9.247 4.289 1.00 0.00 N ATOM 0 H GLN A 36 -3.067 -6.932 7.736 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.135 -4.981 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.255 -6.824 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.597 -5.553 5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.946 -6.584 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.660 -7.874 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.710 -9.662 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.286 -9.844 3.953 1.00 0.00 H new ATOM 514 N LEU A 37 -4.259 -4.712 8.579 1.00 0.00 N ATOM 515 CA LEU A 37 -4.686 -3.764 9.593 1.00 0.00 C ATOM 516 C LEU A 37 -3.458 -3.080 10.197 1.00 0.00 C ATOM 517 O LEU A 37 -3.314 -1.862 10.105 1.00 0.00 O ATOM 518 CB LEU A 37 -5.578 -4.452 10.628 1.00 0.00 C ATOM 519 CG LEU A 37 -5.755 -3.715 11.957 1.00 0.00 C ATOM 520 CD1 LEU A 37 -6.440 -2.363 11.748 1.00 0.00 C ATOM 521 CD2 LEU A 37 -6.500 -4.584 12.973 1.00 0.00 C ATOM 0 H LEU A 37 -4.120 -5.664 8.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.300 -2.981 9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.563 -4.604 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.165 -5.439 10.835 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.766 -3.515 12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.553 -1.860 12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.833 -1.746 11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.422 -2.518 11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.612 -4.035 13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.485 -4.838 12.581 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.935 -5.498 13.154 1.00 0.00 H new ATOM 532 N SER A 38 -2.604 -3.894 10.799 1.00 0.00 N ATOM 533 CA SER A 38 -1.392 -3.383 11.417 1.00 0.00 C ATOM 534 C SER A 38 -0.603 -2.546 10.409 1.00 0.00 C ATOM 535 O SER A 38 0.152 -1.653 10.792 1.00 0.00 O ATOM 536 CB SER A 38 -0.525 -4.523 11.955 1.00 0.00 C ATOM 537 OG SER A 38 -1.304 -5.655 12.331 1.00 0.00 O ATOM 0 H SER A 38 -2.727 -4.904 10.872 1.00 0.00 H new ATOM 0 HA SER A 38 -1.678 -2.752 12.259 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.199 -4.817 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.042 -4.171 12.817 1.00 0.00 H new ATOM 0 HG SER A 38 -1.938 -5.398 13.033 1.00 0.00 H new ATOM 542 N THR A 39 -0.804 -2.864 9.137 1.00 0.00 N ATOM 543 CA THR A 39 -0.121 -2.152 8.071 1.00 0.00 C ATOM 544 C THR A 39 -0.963 -0.966 7.596 1.00 0.00 C ATOM 545 O THR A 39 -0.427 0.014 7.082 1.00 0.00 O ATOM 546 CB THR A 39 0.196 -3.155 6.961 1.00 0.00 C ATOM 547 OG1 THR A 39 1.605 -3.044 6.783 1.00 0.00 O ATOM 548 CG2 THR A 39 -0.385 -2.736 5.608 1.00 0.00 C ATOM 0 H THR A 39 -1.430 -3.605 8.822 1.00 0.00 H new ATOM 0 HA THR A 39 0.818 -1.723 8.420 1.00 0.00 H new ATOM 0 HB THR A 39 -0.195 -4.135 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.951 -3.872 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.131 -3.483 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.469 -2.655 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.031 -1.771 5.317 1.00 0.00 H new ATOM 556 N ALA A 40 -2.268 -1.095 7.786 1.00 0.00 N ATOM 557 CA ALA A 40 -3.189 -0.045 7.383 1.00 0.00 C ATOM 558 C ALA A 40 -3.289 0.996 8.499 1.00 0.00 C ATOM 559 O ALA A 40 -3.900 2.048 8.319 1.00 0.00 O ATOM 560 CB ALA A 40 -4.546 -0.662 7.039 1.00 0.00 C ATOM 0 H ALA A 40 -2.709 -1.909 8.213 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.825 0.463 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.237 0.125 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.426 -1.373 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.943 -1.178 7.913 1.00 0.00 H new ATOM 566 N ILE A 41 -2.678 0.666 9.629 1.00 0.00 N ATOM 567 CA ILE A 41 -2.690 1.561 10.774 1.00 0.00 C ATOM 568 C ILE A 41 -1.251 1.863 11.195 1.00 0.00 C ATOM 569 O ILE A 41 -0.956 2.957 11.673 1.00 0.00 O ATOM 570 CB ILE A 41 -3.551 0.980 11.898 1.00 0.00 C ATOM 571 CG1 ILE A 41 -3.084 -0.428 12.273 1.00 0.00 C ATOM 572 CG2 ILE A 41 -5.034 1.014 11.526 1.00 0.00 C ATOM 573 CD1 ILE A 41 -2.673 -0.496 13.744 1.00 0.00 C ATOM 0 H ILE A 41 -2.172 -0.208 9.775 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.151 2.513 10.509 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.428 1.606 12.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.884 -1.143 12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.242 -0.716 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.623 0.595 12.342 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.341 2.045 11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.196 0.426 10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.345 -1.508 13.984 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.856 0.203 13.926 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.524 -0.232 14.372 1.00 0.00 H new ATOM 584 N ASP A 42 -0.390 0.873 11.000 1.00 0.00 N ATOM 585 CA ASP A 42 1.011 1.019 11.353 1.00 0.00 C ATOM 586 C ASP A 42 1.419 2.487 11.208 1.00 0.00 C ATOM 587 O ASP A 42 1.607 3.184 12.203 1.00 0.00 O ATOM 588 CB ASP A 42 1.902 0.187 10.429 1.00 0.00 C ATOM 589 CG ASP A 42 2.633 -0.974 11.108 1.00 0.00 C ATOM 590 OD1 ASP A 42 2.649 -0.981 12.358 1.00 0.00 O ATOM 591 OD2 ASP A 42 3.156 -1.829 10.362 1.00 0.00 O ATOM 0 H ASP A 42 -0.637 -0.033 10.602 1.00 0.00 H new ATOM 0 HA ASP A 42 1.137 0.676 12.380 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.289 -0.212 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.642 0.845 9.973 1.00 0.00 H new ATOM 595 N ARG A 43 1.544 2.912 9.959 1.00 0.00 N ATOM 596 CA ARG A 43 1.927 4.283 9.670 1.00 0.00 C ATOM 597 C ARG A 43 0.802 5.001 8.922 1.00 0.00 C ATOM 598 O ARG A 43 0.758 6.230 8.891 1.00 0.00 O ATOM 599 CB ARG A 43 3.204 4.333 8.829 1.00 0.00 C ATOM 600 CG ARG A 43 4.302 5.121 9.544 1.00 0.00 C ATOM 601 CD ARG A 43 5.685 4.756 8.998 1.00 0.00 C ATOM 602 NE ARG A 43 6.337 3.773 9.890 1.00 0.00 N ATOM 603 CZ ARG A 43 6.808 4.062 11.111 1.00 0.00 C ATOM 604 NH1 ARG A 43 6.701 5.307 11.593 1.00 0.00 N ATOM 605 NH2 ARG A 43 7.386 3.105 11.850 1.00 0.00 N ATOM 0 H ARG A 43 1.387 2.331 9.136 1.00 0.00 H new ATOM 0 HA ARG A 43 2.113 4.783 10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.551 3.319 8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.990 4.794 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.128 6.190 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.264 4.916 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.591 4.342 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.301 5.651 8.918 1.00 0.00 H new ATOM 0 HE ARG A 43 6.434 2.815 9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.261 6.035 11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.060 5.527 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.467 2.157 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.744 3.325 12.779 1.00 0.00 H new ATOM 616 N MET A 44 -0.079 4.204 8.338 1.00 0.00 N ATOM 617 CA MET A 44 -1.201 4.748 7.591 1.00 0.00 C ATOM 618 C MET A 44 -2.099 5.598 8.493 1.00 0.00 C ATOM 619 O MET A 44 -2.885 6.409 8.006 1.00 0.00 O ATOM 620 CB MET A 44 -2.018 3.603 6.990 1.00 0.00 C ATOM 621 CG MET A 44 -1.479 3.209 5.614 1.00 0.00 C ATOM 622 SD MET A 44 -1.592 4.594 4.494 1.00 0.00 S ATOM 623 CE MET A 44 -1.041 3.817 2.984 1.00 0.00 C ATOM 0 H MET A 44 -0.039 3.185 8.366 1.00 0.00 H new ATOM 0 HA MET A 44 -0.810 5.383 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.988 2.741 7.657 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.062 3.903 6.903 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.442 2.884 5.700 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.046 2.365 5.220 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.313 4.442 2.133 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.042 3.694 3.012 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.515 2.840 2.883 1.00 0.00 H new ATOM 631 N ASN A 45 -1.952 5.383 9.792 1.00 0.00 N ATOM 632 CA ASN A 45 -2.739 6.119 10.766 1.00 0.00 C ATOM 633 C ASN A 45 -2.403 7.608 10.669 1.00 0.00 C ATOM 634 O ASN A 45 -3.077 8.356 9.962 1.00 0.00 O ATOM 635 CB ASN A 45 -2.426 5.656 12.191 1.00 0.00 C ATOM 636 CG ASN A 45 -2.929 6.670 13.219 1.00 0.00 C ATOM 637 OD1 ASN A 45 -4.053 7.288 12.867 1.00 0.00 O flip ATOM 638 ND2 ASN A 45 -2.336 6.878 14.265 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.299 4.709 10.193 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.792 5.940 10.551 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.891 4.687 12.373 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.351 5.520 12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.477 6.369 14.474 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.699 7.561 14.930 1.00 0.00 H new ATOM 644 N GLU A 46 -1.358 7.994 11.387 1.00 0.00 N ATOM 645 CA GLU A 46 -0.924 9.381 11.389 1.00 0.00 C ATOM 646 C GLU A 46 -0.071 9.672 10.153 1.00 0.00 C ATOM 647 O GLU A 46 0.205 10.830 9.844 1.00 0.00 O ATOM 648 CB GLU A 46 -0.160 9.713 12.673 1.00 0.00 C ATOM 649 CG GLU A 46 -0.966 10.664 13.560 1.00 0.00 C ATOM 650 CD GLU A 46 -0.875 10.250 15.031 1.00 0.00 C ATOM 651 OE1 GLU A 46 0.202 10.480 15.620 1.00 0.00 O ATOM 652 OE2 GLU A 46 -1.886 9.712 15.532 1.00 0.00 O ATOM 0 H GLU A 46 -0.800 7.371 11.971 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.807 10.019 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.056 8.795 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.798 10.168 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.594 11.682 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.009 10.667 13.243 1.00 0.00 H new ATOM 657 N GLY A 47 0.322 8.602 9.479 1.00 0.00 N ATOM 658 CA GLY A 47 1.137 8.728 8.283 1.00 0.00 C ATOM 659 C GLY A 47 0.291 9.167 7.087 1.00 0.00 C ATOM 660 O GLY A 47 0.668 10.084 6.358 1.00 0.00 O ATOM 0 H GLY A 47 0.091 7.643 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.933 9.453 8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.617 7.774 8.063 1.00 0.00 H new ATOM 664 N LEU A 48 -0.836 8.492 6.920 1.00 0.00 N ATOM 665 CA LEU A 48 -1.740 8.801 5.825 1.00 0.00 C ATOM 666 C LEU A 48 -2.386 10.166 6.072 1.00 0.00 C ATOM 667 O LEU A 48 -2.628 10.921 5.132 1.00 0.00 O ATOM 668 CB LEU A 48 -2.750 7.669 5.627 1.00 0.00 C ATOM 669 CG LEU A 48 -4.215 8.026 5.886 1.00 0.00 C ATOM 670 CD1 LEU A 48 -5.136 6.866 5.503 1.00 0.00 C ATOM 671 CD2 LEU A 48 -4.424 8.468 7.335 1.00 0.00 C ATOM 0 H LEU A 48 -1.144 7.731 7.525 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.190 8.873 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.661 7.304 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.476 6.844 6.285 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.478 8.872 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.172 7.145 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.013 6.638 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.880 5.987 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.474 8.716 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.138 7.659 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.810 9.345 7.540 1.00 0.00 H new ATOM 682 N ASP A 49 -2.647 10.440 7.341 1.00 0.00 N ATOM 683 CA ASP A 49 -3.260 11.701 7.723 1.00 0.00 C ATOM 684 C ASP A 49 -2.261 12.838 7.500 1.00 0.00 C ATOM 685 O ASP A 49 -2.633 13.912 7.028 1.00 0.00 O ATOM 686 CB ASP A 49 -3.649 11.698 9.203 1.00 0.00 C ATOM 687 CG ASP A 49 -4.295 12.991 9.706 1.00 0.00 C ATOM 688 OD1 ASP A 49 -4.798 13.745 8.845 1.00 0.00 O ATOM 689 OD2 ASP A 49 -4.270 13.196 10.938 1.00 0.00 O ATOM 0 H ASP A 49 -2.445 9.811 8.118 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.154 11.839 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.339 10.873 9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.757 11.501 9.797 1.00 0.00 H new ATOM 693 N ALA A 50 -1.012 12.564 7.849 1.00 0.00 N ATOM 694 CA ALA A 50 0.043 13.550 7.692 1.00 0.00 C ATOM 695 C ALA A 50 0.499 13.574 6.232 1.00 0.00 C ATOM 696 O ALA A 50 0.311 14.570 5.535 1.00 0.00 O ATOM 697 CB ALA A 50 1.188 13.232 8.656 1.00 0.00 C ATOM 0 H ALA A 50 -0.707 11.673 8.240 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.323 14.546 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.979 13.972 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.818 13.257 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.583 12.240 8.437 1.00 0.00 H new ATOM 703 N PHE A 51 1.091 12.466 5.812 1.00 0.00 N ATOM 704 CA PHE A 51 1.576 12.347 4.447 1.00 0.00 C ATOM 705 C PHE A 51 0.596 12.983 3.460 1.00 0.00 C ATOM 706 O PHE A 51 0.981 13.831 2.656 1.00 0.00 O ATOM 707 CB PHE A 51 1.692 10.852 4.142 1.00 0.00 C ATOM 708 CG PHE A 51 2.741 10.124 4.985 1.00 0.00 C ATOM 709 CD1 PHE A 51 3.840 10.792 5.428 1.00 0.00 C ATOM 710 CD2 PHE A 51 2.575 8.809 5.289 1.00 0.00 C ATOM 711 CE1 PHE A 51 4.813 10.117 6.211 1.00 0.00 C ATOM 712 CE2 PHE A 51 3.549 8.134 6.072 1.00 0.00 C ATOM 713 CZ PHE A 51 4.648 8.801 6.516 1.00 0.00 C ATOM 0 H PHE A 51 1.246 11.642 6.393 1.00 0.00 H new ATOM 0 HA PHE A 51 2.534 12.858 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.722 10.382 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.936 10.725 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.972 11.836 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.703 8.278 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.684 10.648 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.417 7.090 6.315 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.389 8.287 7.110 1.00 0.00 H new ATOM 722 N ILE A 52 -0.652 12.548 3.552 1.00 0.00 N ATOM 723 CA ILE A 52 -1.691 13.065 2.677 1.00 0.00 C ATOM 724 C ILE A 52 -1.886 14.558 2.948 1.00 0.00 C ATOM 725 O ILE A 52 -2.049 15.346 2.018 1.00 0.00 O ATOM 726 CB ILE A 52 -2.973 12.241 2.822 1.00 0.00 C ATOM 727 CG1 ILE A 52 -2.705 10.759 2.553 1.00 0.00 C ATOM 728 CG2 ILE A 52 -4.085 12.795 1.928 1.00 0.00 C ATOM 729 CD1 ILE A 52 -3.028 10.399 1.100 1.00 0.00 C ATOM 0 H ILE A 52 -0.967 11.844 4.219 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.392 12.967 1.633 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.318 12.324 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.661 10.530 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.308 10.149 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.985 12.192 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.299 13.826 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.765 12.762 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.829 9.340 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.079 10.606 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.406 10.994 0.431 1.00 0.00 H new ATOM 740 N GLN A 53 -1.862 14.902 4.227 1.00 0.00 N ATOM 741 CA GLN A 53 -2.033 16.287 4.634 1.00 0.00 C ATOM 742 C GLN A 53 -0.879 17.141 4.106 1.00 0.00 C ATOM 743 O GLN A 53 -0.942 18.369 4.145 1.00 0.00 O ATOM 744 CB GLN A 53 -2.150 16.402 6.154 1.00 0.00 C ATOM 745 CG GLN A 53 -1.882 17.835 6.618 1.00 0.00 C ATOM 746 CD GLN A 53 -2.300 18.027 8.078 1.00 0.00 C ATOM 747 OE1 GLN A 53 -2.647 17.090 8.779 1.00 0.00 O ATOM 748 NE2 GLN A 53 -2.247 19.289 8.495 1.00 0.00 N ATOM 0 H GLN A 53 -1.727 14.245 4.996 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.962 16.660 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.147 16.094 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.441 15.724 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.822 18.065 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.428 18.534 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.947 20.025 7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.506 19.521 9.454 1.00 0.00 H new ATOM 755 N LEU A 54 0.149 16.459 3.625 1.00 0.00 N ATOM 756 CA LEU A 54 1.316 17.140 3.090 1.00 0.00 C ATOM 757 C LEU A 54 1.385 16.913 1.578 1.00 0.00 C ATOM 758 O LEU A 54 1.898 17.756 0.844 1.00 0.00 O ATOM 759 CB LEU A 54 2.579 16.704 3.836 1.00 0.00 C ATOM 760 CG LEU A 54 2.717 17.209 5.274 1.00 0.00 C ATOM 761 CD1 LEU A 54 2.888 16.045 6.250 1.00 0.00 C ATOM 762 CD2 LEU A 54 3.854 18.227 5.391 1.00 0.00 C ATOM 0 H LEU A 54 0.199 15.441 3.594 1.00 0.00 H new ATOM 0 HA LEU A 54 1.236 18.216 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.611 15.615 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.447 17.041 3.269 1.00 0.00 H new ATOM 0 HG LEU A 54 1.795 17.723 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.984 16.432 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.018 15.391 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.784 15.481 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.931 18.570 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.793 17.760 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.649 19.077 4.740 1.00 0.00 H new ATOM 773 N TYR A 55 0.861 15.770 1.159 1.00 0.00 N ATOM 774 CA TYR A 55 0.858 15.423 -0.252 1.00 0.00 C ATOM 775 C TYR A 55 -0.446 15.861 -0.921 1.00 0.00 C ATOM 776 O TYR A 55 -0.459 16.819 -1.694 1.00 0.00 O ATOM 777 CB TYR A 55 0.958 13.897 -0.310 1.00 0.00 C ATOM 778 CG TYR A 55 2.376 13.376 -0.557 1.00 0.00 C ATOM 779 CD1 TYR A 55 3.408 13.766 0.271 1.00 0.00 C ATOM 780 CD2 TYR A 55 2.621 12.516 -1.608 1.00 0.00 C ATOM 781 CE1 TYR A 55 4.742 13.275 0.039 1.00 0.00 C ATOM 782 CE2 TYR A 55 3.955 12.025 -1.841 1.00 0.00 C ATOM 783 CZ TYR A 55 4.949 12.430 -1.006 1.00 0.00 C ATOM 784 OH TYR A 55 6.209 11.966 -1.225 1.00 0.00 O ATOM 0 H TYR A 55 0.436 15.073 1.771 1.00 0.00 H new ATOM 0 HA TYR A 55 1.680 15.917 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.588 13.483 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.304 13.530 -1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.216 14.439 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.813 12.211 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.559 13.571 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.161 11.351 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 55 6.422 11.274 -0.565 1.00 0.00 H new ATOM 793 N ASN A 56 -1.510 15.141 -0.600 1.00 0.00 N ATOM 794 CA ASN A 56 -2.817 15.444 -1.161 1.00 0.00 C ATOM 795 C ASN A 56 -3.478 14.148 -1.632 1.00 0.00 C ATOM 796 O ASN A 56 -4.692 13.988 -1.514 1.00 0.00 O ATOM 797 CB ASN A 56 -2.694 16.379 -2.366 1.00 0.00 C ATOM 798 CG ASN A 56 -4.003 16.425 -3.158 1.00 0.00 C ATOM 799 OD1 ASN A 56 -5.092 16.349 -2.613 1.00 0.00 O ATOM 800 ND2 ASN A 56 -3.837 16.554 -4.471 1.00 0.00 N ATOM 0 H ASN A 56 -1.495 14.348 0.042 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.413 15.929 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.434 17.382 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.885 16.040 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.650 16.595 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.897 16.612 -4.863 1.00 0.00 H new ATOM 806 N GLU A 57 -2.650 13.255 -2.156 1.00 0.00 N ATOM 807 CA GLU A 57 -3.139 11.978 -2.646 1.00 0.00 C ATOM 808 C GLU A 57 -2.158 11.387 -3.660 1.00 0.00 C ATOM 809 O GLU A 57 -2.569 10.876 -4.700 1.00 0.00 O ATOM 810 CB GLU A 57 -4.536 12.123 -3.254 1.00 0.00 C ATOM 811 CG GLU A 57 -4.646 13.409 -4.076 1.00 0.00 C ATOM 812 CD GLU A 57 -5.077 13.106 -5.512 1.00 0.00 C ATOM 813 OE1 GLU A 57 -5.710 12.047 -5.704 1.00 0.00 O ATOM 814 OE2 GLU A 57 -4.762 13.943 -6.387 1.00 0.00 O ATOM 0 H GLU A 57 -1.644 13.391 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.215 11.292 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.752 11.263 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.283 12.130 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.366 14.082 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.686 13.925 -4.082 1.00 0.00 H new ATOM 819 N SER A 58 -0.881 11.478 -3.322 1.00 0.00 N ATOM 820 CA SER A 58 0.162 10.960 -4.190 1.00 0.00 C ATOM 821 C SER A 58 0.355 11.889 -5.390 1.00 0.00 C ATOM 822 O SER A 58 0.142 11.485 -6.533 1.00 0.00 O ATOM 823 CB SER A 58 -0.169 9.542 -4.664 1.00 0.00 C ATOM 824 OG SER A 58 -1.056 9.547 -5.779 1.00 0.00 O ATOM 0 H SER A 58 -0.544 11.903 -2.458 1.00 0.00 H new ATOM 0 HA SER A 58 1.090 10.916 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.752 9.026 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.619 8.981 -3.845 1.00 0.00 H new ATOM 0 HG SER A 58 -1.799 10.161 -5.603 1.00 0.00 H new ATOM 829 N GLU A 59 0.754 13.115 -5.091 1.00 0.00 N ATOM 830 CA GLU A 59 0.978 14.105 -6.131 1.00 0.00 C ATOM 831 C GLU A 59 1.480 15.415 -5.519 1.00 0.00 C ATOM 832 O GLU A 59 0.836 16.454 -5.653 1.00 0.00 O ATOM 833 CB GLU A 59 -0.293 14.335 -6.951 1.00 0.00 C ATOM 834 CG GLU A 59 0.045 14.795 -8.371 1.00 0.00 C ATOM 835 CD GLU A 59 -1.068 14.417 -9.349 1.00 0.00 C ATOM 836 OE1 GLU A 59 -1.658 13.335 -9.147 1.00 0.00 O ATOM 837 OE2 GLU A 59 -1.304 15.220 -10.278 1.00 0.00 O ATOM 0 H GLU A 59 0.928 13.447 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 59 1.744 13.726 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.875 13.414 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.915 15.084 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.192 15.875 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.984 14.342 -8.690 1.00 0.00 H new ATOM 842 N ILE A 60 2.626 15.322 -4.860 1.00 0.00 N ATOM 843 CA ILE A 60 3.222 16.486 -4.228 1.00 0.00 C ATOM 844 C ILE A 60 3.585 17.515 -5.300 1.00 0.00 C ATOM 845 O ILE A 60 3.259 18.694 -5.171 1.00 0.00 O ATOM 846 CB ILE A 60 4.403 16.072 -3.348 1.00 0.00 C ATOM 847 CG1 ILE A 60 5.596 15.634 -4.201 1.00 0.00 C ATOM 848 CG2 ILE A 60 3.988 14.992 -2.346 1.00 0.00 C ATOM 849 CD1 ILE A 60 5.360 14.247 -4.803 1.00 0.00 C ATOM 0 H ILE A 60 3.157 14.458 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 60 2.507 16.963 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 60 4.721 16.941 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.762 16.357 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.499 15.621 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.846 14.716 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.193 15.375 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.629 14.115 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.223 13.960 -5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.219 13.522 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.470 14.270 -5.432 1.00 0.00 H new ATOM 860 N ASP A 61 4.256 17.030 -6.336 1.00 0.00 N ATOM 861 CA ASP A 61 4.667 17.894 -7.430 1.00 0.00 C ATOM 862 C ASP A 61 4.012 17.413 -8.727 1.00 0.00 C ATOM 863 O ASP A 61 3.133 18.082 -9.268 1.00 0.00 O ATOM 864 CB ASP A 61 6.184 17.853 -7.624 1.00 0.00 C ATOM 865 CG ASP A 61 6.814 19.173 -8.073 1.00 0.00 C ATOM 866 OD1 ASP A 61 6.261 19.773 -9.019 1.00 0.00 O ATOM 867 OD2 ASP A 61 7.834 19.552 -7.459 1.00 0.00 O ATOM 0 H ASP A 61 4.525 16.052 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 61 4.361 18.912 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.647 17.547 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.420 17.086 -8.361 1.00 0.00 H new ATOM 871 N GLU A 62 4.465 16.256 -9.187 1.00 0.00 N ATOM 872 CA GLU A 62 3.934 15.677 -10.409 1.00 0.00 C ATOM 873 C GLU A 62 4.989 14.797 -11.082 1.00 0.00 C ATOM 874 O GLU A 62 5.408 15.071 -12.205 1.00 0.00 O ATOM 875 CB GLU A 62 3.442 16.767 -11.364 1.00 0.00 C ATOM 876 CG GLU A 62 4.443 17.921 -11.441 1.00 0.00 C ATOM 877 CD GLU A 62 4.997 18.071 -12.859 1.00 0.00 C ATOM 878 OE1 GLU A 62 5.053 17.038 -13.559 1.00 0.00 O ATOM 879 OE2 GLU A 62 5.353 19.216 -13.211 1.00 0.00 O ATOM 0 H GLU A 62 5.194 15.704 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 62 3.079 15.053 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.292 16.344 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.475 17.141 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.959 18.849 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.262 17.744 -10.743 1.00 0.00 H new ATOM 884 N PRO A 63 5.398 13.727 -10.348 1.00 0.00 N ATOM 885 CA PRO A 63 6.396 12.804 -10.860 1.00 0.00 C ATOM 886 C PRO A 63 5.796 11.886 -11.928 1.00 0.00 C ATOM 887 O PRO A 63 6.197 11.932 -13.089 1.00 0.00 O ATOM 888 CB PRO A 63 6.898 12.049 -9.641 1.00 0.00 C ATOM 889 CG PRO A 63 5.841 12.245 -8.565 1.00 0.00 C ATOM 890 CD PRO A 63 4.922 13.370 -9.014 1.00 0.00 C ATOM 0 HA PRO A 63 7.219 13.311 -11.363 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.035 10.991 -9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.864 12.433 -9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.274 11.326 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.308 12.491 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.882 13.046 -9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.975 14.220 -8.334 1.00 0.00 H new ATOM 895 N LEU A 64 4.844 11.072 -11.495 1.00 0.00 N ATOM 896 CA LEU A 64 4.185 10.144 -12.398 1.00 0.00 C ATOM 897 C LEU A 64 4.948 8.818 -12.407 1.00 0.00 C ATOM 898 O LEU A 64 5.107 8.196 -13.456 1.00 0.00 O ATOM 899 CB LEU A 64 4.024 10.770 -13.784 1.00 0.00 C ATOM 900 CG LEU A 64 2.851 10.252 -14.621 1.00 0.00 C ATOM 901 CD1 LEU A 64 1.580 11.057 -14.340 1.00 0.00 C ATOM 902 CD2 LEU A 64 3.204 10.239 -16.109 1.00 0.00 C ATOM 0 H LEU A 64 4.513 11.036 -10.531 1.00 0.00 H new ATOM 0 HA LEU A 64 3.175 9.928 -12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.911 11.847 -13.664 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.945 10.607 -14.344 1.00 0.00 H new ATOM 0 HG LEU A 64 2.651 9.221 -14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.762 10.669 -14.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.321 10.971 -13.285 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.751 12.105 -14.588 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.354 9.867 -16.681 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.446 11.251 -16.434 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.064 9.590 -16.273 1.00 0.00 H new ATOM 913 N ILE A 65 5.403 8.426 -11.225 1.00 0.00 N ATOM 914 CA ILE A 65 6.146 7.186 -11.085 1.00 0.00 C ATOM 915 C ILE A 65 7.049 7.274 -9.852 1.00 0.00 C ATOM 916 O ILE A 65 7.430 6.252 -9.282 1.00 0.00 O ATOM 917 CB ILE A 65 6.900 6.862 -12.377 1.00 0.00 C ATOM 918 CG1 ILE A 65 6.109 5.878 -13.241 1.00 0.00 C ATOM 919 CG2 ILE A 65 8.312 6.355 -12.076 1.00 0.00 C ATOM 920 CD1 ILE A 65 6.409 4.432 -12.839 1.00 0.00 C ATOM 0 H ILE A 65 5.271 8.945 -10.357 1.00 0.00 H new ATOM 0 HA ILE A 65 5.464 6.351 -10.924 1.00 0.00 H new ATOM 0 HB ILE A 65 7.005 7.782 -12.951 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.042 6.074 -13.138 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.360 6.027 -14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.826 6.132 -13.011 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.865 7.120 -11.532 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.252 5.451 -11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.834 3.753 -13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.473 4.232 -12.967 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.134 4.280 -11.795 1.00 0.00 H new ATOM 931 N GLN A 66 7.364 8.505 -9.477 1.00 0.00 N ATOM 932 CA GLN A 66 8.215 8.740 -8.323 1.00 0.00 C ATOM 933 C GLN A 66 7.396 8.649 -7.033 1.00 0.00 C ATOM 934 O GLN A 66 7.926 8.289 -5.982 1.00 0.00 O ATOM 935 CB GLN A 66 8.921 10.094 -8.428 1.00 0.00 C ATOM 936 CG GLN A 66 10.313 10.037 -7.796 1.00 0.00 C ATOM 937 CD GLN A 66 10.219 9.874 -6.278 1.00 0.00 C ATOM 938 OE1 GLN A 66 9.902 10.799 -5.548 1.00 0.00 O ATOM 939 NE2 GLN A 66 10.512 8.651 -5.845 1.00 0.00 N ATOM 0 H GLN A 66 7.045 9.350 -9.952 1.00 0.00 H new ATOM 0 HA GLN A 66 8.983 7.967 -8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.005 10.384 -9.475 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.324 10.859 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.875 9.205 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.862 10.948 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.770 7.922 -6.511 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.479 8.442 -4.847 1.00 0.00 H new ATOM 946 N LEU A 67 6.119 8.980 -7.155 1.00 0.00 N ATOM 947 CA LEU A 67 5.223 8.940 -6.012 1.00 0.00 C ATOM 948 C LEU A 67 3.782 8.791 -6.505 1.00 0.00 C ATOM 949 O LEU A 67 2.998 8.042 -5.925 1.00 0.00 O ATOM 950 CB LEU A 67 5.444 10.158 -5.115 1.00 0.00 C ATOM 951 CG LEU A 67 6.864 10.346 -4.576 1.00 0.00 C ATOM 952 CD1 LEU A 67 7.014 11.705 -3.888 1.00 0.00 C ATOM 953 CD2 LEU A 67 7.258 9.191 -3.654 1.00 0.00 C ATOM 0 H LEU A 67 5.683 9.277 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 67 5.438 8.072 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.168 11.052 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.761 10.089 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 67 7.554 10.334 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.032 11.813 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.804 12.500 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.313 11.771 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.271 9.349 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.568 9.146 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.216 8.253 -4.208 1.00 0.00 H new ATOM 964 N ASP A 68 3.477 9.518 -7.570 1.00 0.00 N ATOM 965 CA ASP A 68 2.145 9.476 -8.147 1.00 0.00 C ATOM 966 C ASP A 68 1.840 8.051 -8.614 1.00 0.00 C ATOM 967 O ASP A 68 0.819 7.476 -8.236 1.00 0.00 O ATOM 968 CB ASP A 68 2.040 10.403 -9.360 1.00 0.00 C ATOM 969 CG ASP A 68 0.704 11.134 -9.503 1.00 0.00 C ATOM 970 OD1 ASP A 68 -0.334 10.457 -9.334 1.00 0.00 O ATOM 971 OD2 ASP A 68 0.750 12.353 -9.776 1.00 0.00 O ATOM 0 H ASP A 68 4.130 10.139 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 68 1.437 9.799 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.838 11.144 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.214 9.817 -10.262 1.00 0.00 H new ATOM 975 N ASP A 69 2.742 7.523 -9.427 1.00 0.00 N ATOM 976 CA ASP A 69 2.581 6.176 -9.949 1.00 0.00 C ATOM 977 C ASP A 69 3.362 5.197 -9.070 1.00 0.00 C ATOM 978 O ASP A 69 3.151 3.987 -9.142 1.00 0.00 O ATOM 979 CB ASP A 69 3.126 6.069 -11.374 1.00 0.00 C ATOM 980 CG ASP A 69 2.067 5.853 -12.457 1.00 0.00 C ATOM 981 OD1 ASP A 69 0.873 5.832 -12.088 1.00 0.00 O ATOM 982 OD2 ASP A 69 2.475 5.713 -13.630 1.00 0.00 O ATOM 0 H ASP A 69 3.587 8.003 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 69 1.517 5.940 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.679 6.979 -11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.838 5.245 -11.414 1.00 0.00 H new ATOM 986 N ASP A 70 4.248 5.757 -8.259 1.00 0.00 N ATOM 987 CA ASP A 70 5.062 4.948 -7.367 1.00 0.00 C ATOM 988 C ASP A 70 4.193 4.435 -6.217 1.00 0.00 C ATOM 989 O ASP A 70 4.516 3.426 -5.592 1.00 0.00 O ATOM 990 CB ASP A 70 6.205 5.769 -6.767 1.00 0.00 C ATOM 991 CG ASP A 70 7.525 5.015 -6.601 1.00 0.00 C ATOM 992 OD1 ASP A 70 7.777 4.121 -7.438 1.00 0.00 O ATOM 993 OD2 ASP A 70 8.253 5.349 -5.642 1.00 0.00 O ATOM 0 H ASP A 70 4.420 6.761 -8.201 1.00 0.00 H new ATOM 0 HA ASP A 70 5.477 4.122 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.378 6.639 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.892 6.141 -5.792 1.00 0.00 H new ATOM 997 N THR A 71 3.108 5.155 -5.970 1.00 0.00 N ATOM 998 CA THR A 71 2.191 4.786 -4.905 1.00 0.00 C ATOM 999 C THR A 71 0.836 4.377 -5.487 1.00 0.00 C ATOM 1000 O THR A 71 0.215 3.426 -5.013 1.00 0.00 O ATOM 1001 CB THR A 71 2.104 5.960 -3.928 1.00 0.00 C ATOM 1002 OG1 THR A 71 1.394 6.962 -4.651 1.00 0.00 O ATOM 1003 CG2 THR A 71 3.468 6.595 -3.654 1.00 0.00 C ATOM 0 H THR A 71 2.844 5.992 -6.489 1.00 0.00 H new ATOM 0 HA THR A 71 2.550 3.915 -4.357 1.00 0.00 H new ATOM 0 HB THR A 71 1.667 5.619 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.916 7.230 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.350 7.423 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.137 5.849 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.891 6.966 -4.588 1.00 0.00 H new ATOM 1011 N ALA A 72 0.417 5.116 -6.504 1.00 0.00 N ATOM 1012 CA ALA A 72 -0.852 4.842 -7.155 1.00 0.00 C ATOM 1013 C ALA A 72 -0.696 3.636 -8.084 1.00 0.00 C ATOM 1014 O ALA A 72 -1.501 2.707 -8.042 1.00 0.00 O ATOM 1015 CB ALA A 72 -1.326 6.093 -7.898 1.00 0.00 C ATOM 0 H ALA A 72 0.934 5.904 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.615 4.592 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.278 5.887 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.451 6.912 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.586 6.373 -8.648 1.00 0.00 H new ATOM 1021 N GLU A 73 0.347 3.691 -8.900 1.00 0.00 N ATOM 1022 CA GLU A 73 0.620 2.615 -9.837 1.00 0.00 C ATOM 1023 C GLU A 73 1.177 1.396 -9.099 1.00 0.00 C ATOM 1024 O GLU A 73 1.059 0.269 -9.577 1.00 0.00 O ATOM 1025 CB GLU A 73 1.579 3.076 -10.936 1.00 0.00 C ATOM 1026 CG GLU A 73 1.007 2.778 -12.324 1.00 0.00 C ATOM 1027 CD GLU A 73 2.080 2.197 -13.247 1.00 0.00 C ATOM 1028 OE1 GLU A 73 2.816 1.305 -12.770 1.00 0.00 O ATOM 1029 OE2 GLU A 73 2.142 2.658 -14.407 1.00 0.00 O ATOM 0 H GLU A 73 1.012 4.463 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.317 2.329 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.764 4.146 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.540 2.574 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.178 2.075 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.604 3.693 -12.759 1.00 0.00 H new ATOM 1034 N LEU A 74 1.772 1.663 -7.946 1.00 0.00 N ATOM 1035 CA LEU A 74 2.348 0.603 -7.137 1.00 0.00 C ATOM 1036 C LEU A 74 1.229 -0.132 -6.397 1.00 0.00 C ATOM 1037 O LEU A 74 1.086 -1.347 -6.528 1.00 0.00 O ATOM 1038 CB LEU A 74 3.433 1.161 -6.214 1.00 0.00 C ATOM 1039 CG LEU A 74 4.183 0.134 -5.363 1.00 0.00 C ATOM 1040 CD1 LEU A 74 5.651 0.042 -5.784 1.00 0.00 C ATOM 1041 CD2 LEU A 74 4.033 0.444 -3.872 1.00 0.00 C ATOM 0 H LEU A 74 1.868 2.599 -7.553 1.00 0.00 H new ATOM 0 HA LEU A 74 2.848 -0.130 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.160 1.698 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.975 1.891 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 74 3.736 -0.845 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.162 -0.695 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.711 -0.259 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.127 1.014 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.575 -0.301 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.439 1.434 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.978 0.420 -3.600 1.00 0.00 H new ATOM 1052 N MET A 75 0.463 0.635 -5.635 1.00 0.00 N ATOM 1053 CA MET A 75 -0.638 0.071 -4.873 1.00 0.00 C ATOM 1054 C MET A 75 -1.682 -0.555 -5.800 1.00 0.00 C ATOM 1055 O MET A 75 -2.362 -1.507 -5.420 1.00 0.00 O ATOM 1056 CB MET A 75 -1.294 1.171 -4.034 1.00 0.00 C ATOM 1057 CG MET A 75 -2.079 2.141 -4.920 1.00 0.00 C ATOM 1058 SD MET A 75 -3.826 1.797 -4.803 1.00 0.00 S ATOM 1059 CE MET A 75 -4.481 3.241 -5.622 1.00 0.00 C ATOM 0 H MET A 75 0.583 1.642 -5.529 1.00 0.00 H new ATOM 0 HA MET A 75 -0.243 -0.709 -4.222 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.962 0.723 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.529 1.716 -3.480 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.881 3.168 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.750 2.048 -5.955 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.414 2.983 -6.123 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.668 4.023 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.761 3.600 -6.358 1.00 0.00 H new ATOM 1067 N LYS A 76 -1.774 0.004 -6.997 1.00 0.00 N ATOM 1068 CA LYS A 76 -2.724 -0.488 -7.981 1.00 0.00 C ATOM 1069 C LYS A 76 -2.230 -1.826 -8.534 1.00 0.00 C ATOM 1070 O LYS A 76 -2.838 -2.866 -8.287 1.00 0.00 O ATOM 1071 CB LYS A 76 -2.974 0.569 -9.059 1.00 0.00 C ATOM 1072 CG LYS A 76 -3.978 1.618 -8.576 1.00 0.00 C ATOM 1073 CD LYS A 76 -4.272 2.641 -9.674 1.00 0.00 C ATOM 1074 CE LYS A 76 -5.582 3.381 -9.398 1.00 0.00 C ATOM 1075 NZ LYS A 76 -5.821 4.416 -10.428 1.00 0.00 N ATOM 0 H LYS A 76 -1.207 0.793 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.693 -0.672 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.034 1.054 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.350 0.090 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.903 1.128 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.583 2.126 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.452 3.357 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.331 2.137 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.411 2.673 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.544 3.843 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.714 4.908 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.039 5.101 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.878 3.967 -11.364 1.00 0.00 H new ATOM 1085 N GLN A 77 -1.132 -1.757 -9.273 1.00 0.00 N ATOM 1086 CA GLN A 77 -0.550 -2.949 -9.864 1.00 0.00 C ATOM 1087 C GLN A 77 -0.189 -3.960 -8.773 1.00 0.00 C ATOM 1088 O GLN A 77 0.059 -5.130 -9.062 1.00 0.00 O ATOM 1089 CB GLN A 77 0.674 -2.600 -10.713 1.00 0.00 C ATOM 1090 CG GLN A 77 0.265 -1.839 -11.976 1.00 0.00 C ATOM 1091 CD GLN A 77 -0.022 -2.804 -13.128 1.00 0.00 C ATOM 1092 OE1 GLN A 77 -1.020 -3.505 -13.151 1.00 0.00 O ATOM 1093 NE2 GLN A 77 0.906 -2.800 -14.080 1.00 0.00 N ATOM 0 H GLN A 77 -0.630 -0.893 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.291 -3.402 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.367 -1.995 -10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.202 -3.513 -10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.621 -1.237 -11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.059 -1.150 -12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.718 -2.188 -13.998 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.806 -3.409 -14.892 1.00 0.00 H new ATOM 1100 N ALA A 78 -0.171 -3.471 -7.541 1.00 0.00 N ATOM 1101 CA ALA A 78 0.154 -4.317 -6.406 1.00 0.00 C ATOM 1102 C ALA A 78 -1.070 -5.155 -6.031 1.00 0.00 C ATOM 1103 O ALA A 78 -1.064 -6.375 -6.188 1.00 0.00 O ATOM 1104 CB ALA A 78 0.644 -3.448 -5.245 1.00 0.00 C ATOM 0 H ALA A 78 -0.376 -2.500 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 78 0.959 -5.006 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.888 -4.083 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.532 -2.897 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.139 -2.745 -4.961 1.00 0.00 H new ATOM 1110 N ARG A 79 -2.092 -4.467 -5.542 1.00 0.00 N ATOM 1111 CA ARG A 79 -3.320 -5.131 -5.144 1.00 0.00 C ATOM 1112 C ARG A 79 -4.114 -5.564 -6.379 1.00 0.00 C ATOM 1113 O ARG A 79 -5.219 -6.090 -6.258 1.00 0.00 O ATOM 1114 CB ARG A 79 -4.191 -4.212 -4.284 1.00 0.00 C ATOM 1115 CG ARG A 79 -5.034 -5.022 -3.297 1.00 0.00 C ATOM 1116 CD ARG A 79 -6.264 -4.230 -2.849 1.00 0.00 C ATOM 1117 NE ARG A 79 -7.149 -3.972 -4.007 1.00 0.00 N ATOM 1118 CZ ARG A 79 -7.107 -2.859 -4.751 1.00 0.00 C ATOM 1119 NH1 ARG A 79 -6.224 -1.893 -4.463 1.00 0.00 N ATOM 1120 NH2 ARG A 79 -7.949 -2.710 -5.783 1.00 0.00 N ATOM 0 H ARG A 79 -2.094 -3.455 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.046 -6.008 -4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.559 -3.512 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.844 -3.619 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.348 -5.956 -3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.430 -5.286 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.806 -4.786 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.955 -3.286 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.834 -4.687 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.584 -2.005 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.192 -1.046 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.622 -3.444 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.917 -1.862 -6.349 1.00 0.00 H new ATOM 1131 N ASP A 80 -3.518 -5.328 -7.539 1.00 0.00 N ATOM 1132 CA ASP A 80 -4.155 -5.687 -8.794 1.00 0.00 C ATOM 1133 C ASP A 80 -3.449 -6.907 -9.389 1.00 0.00 C ATOM 1134 O ASP A 80 -4.085 -7.753 -10.015 1.00 0.00 O ATOM 1135 CB ASP A 80 -4.060 -4.544 -9.807 1.00 0.00 C ATOM 1136 CG ASP A 80 -4.674 -4.841 -11.176 1.00 0.00 C ATOM 1137 OD1 ASP A 80 -4.091 -5.687 -11.888 1.00 0.00 O ATOM 1138 OD2 ASP A 80 -5.712 -4.216 -11.480 1.00 0.00 O ATOM 0 H ASP A 80 -2.601 -4.893 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.204 -5.902 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.551 -3.666 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.010 -4.287 -9.945 1.00 0.00 H new ATOM 1142 N MET A 81 -2.143 -6.958 -9.172 1.00 0.00 N ATOM 1143 CA MET A 81 -1.343 -8.061 -9.678 1.00 0.00 C ATOM 1144 C MET A 81 -0.910 -8.992 -8.544 1.00 0.00 C ATOM 1145 O MET A 81 -1.302 -10.157 -8.508 1.00 0.00 O ATOM 1146 CB MET A 81 -0.105 -7.509 -10.388 1.00 0.00 C ATOM 1147 CG MET A 81 -0.479 -6.373 -11.342 1.00 0.00 C ATOM 1148 SD MET A 81 -0.855 -7.032 -12.958 1.00 0.00 S ATOM 1149 CE MET A 81 0.780 -7.517 -13.482 1.00 0.00 C ATOM 0 H MET A 81 -1.619 -6.254 -8.653 1.00 0.00 H new ATOM 0 HA MET A 81 -1.950 -8.634 -10.379 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.611 -7.147 -9.650 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.386 -8.308 -10.943 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.339 -5.829 -10.953 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.343 -5.661 -11.413 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.852 -7.442 -14.567 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.519 -6.860 -13.023 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.970 -8.546 -13.176 1.00 0.00 H new ATOM 1157 N TYR A 82 -0.107 -8.441 -7.645 1.00 0.00 N ATOM 1158 CA TYR A 82 0.383 -9.208 -6.512 1.00 0.00 C ATOM 1159 C TYR A 82 1.518 -8.469 -5.801 1.00 0.00 C ATOM 1160 O TYR A 82 2.500 -9.084 -5.386 1.00 0.00 O ATOM 1161 CB TYR A 82 0.926 -10.516 -7.090 1.00 0.00 C ATOM 1162 CG TYR A 82 0.291 -11.773 -6.491 1.00 0.00 C ATOM 1163 CD1 TYR A 82 0.573 -12.134 -5.190 1.00 0.00 C ATOM 1164 CD2 TYR A 82 -0.563 -12.544 -7.253 1.00 0.00 C ATOM 1165 CE1 TYR A 82 -0.024 -13.317 -4.625 1.00 0.00 C ATOM 1166 CE2 TYR A 82 -1.160 -13.727 -6.688 1.00 0.00 C ATOM 1167 CZ TYR A 82 -0.862 -14.055 -5.403 1.00 0.00 C ATOM 1168 OH TYR A 82 -1.425 -15.172 -4.869 1.00 0.00 O ATOM 0 H TYR A 82 0.216 -7.474 -7.678 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.413 -9.371 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.766 -10.519 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.003 -10.553 -6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.242 -11.530 -4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.783 -12.261 -8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.188 -13.611 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.830 -14.340 -7.273 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.001 -15.599 -5.537 1.00 0.00 H new ATOM 1177 N GLY A 83 1.346 -7.161 -5.681 1.00 0.00 N ATOM 1178 CA GLY A 83 2.344 -6.332 -5.026 1.00 0.00 C ATOM 1179 C GLY A 83 1.961 -6.060 -3.570 1.00 0.00 C ATOM 1180 O GLY A 83 2.829 -5.972 -2.703 1.00 0.00 O ATOM 0 H GLY A 83 0.531 -6.655 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.315 -6.827 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.446 -5.388 -5.561 1.00 0.00 H new ATOM 1184 N GLN A 84 0.662 -5.933 -3.347 1.00 0.00 N ATOM 1185 CA GLN A 84 0.154 -5.674 -2.011 1.00 0.00 C ATOM 1186 C GLN A 84 0.098 -6.971 -1.202 1.00 0.00 C ATOM 1187 O GLN A 84 0.569 -7.019 -0.066 1.00 0.00 O ATOM 1188 CB GLN A 84 -1.221 -5.003 -2.068 1.00 0.00 C ATOM 1189 CG GLN A 84 -1.107 -3.558 -2.559 1.00 0.00 C ATOM 1190 CD GLN A 84 -1.786 -2.593 -1.586 1.00 0.00 C ATOM 1191 OE1 GLN A 84 -1.760 -2.767 -0.379 1.00 0.00 O ATOM 1192 NE2 GLN A 84 -2.394 -1.569 -2.178 1.00 0.00 N ATOM 0 H GLN A 84 -0.055 -6.005 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 84 0.837 -4.987 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.877 -5.566 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.679 -5.020 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.056 -3.289 -2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.564 -3.468 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.377 -1.484 -3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.877 -0.869 -1.616 1.00 0.00 H new ATOM 1199 N GLU A 85 -0.482 -7.990 -1.818 1.00 0.00 N ATOM 1200 CA GLU A 85 -0.605 -9.284 -1.169 1.00 0.00 C ATOM 1201 C GLU A 85 -1.510 -10.206 -1.991 1.00 0.00 C ATOM 1202 O GLU A 85 -1.330 -11.423 -1.986 1.00 0.00 O ATOM 1203 CB GLU A 85 -1.130 -9.134 0.260 1.00 0.00 C ATOM 1204 CG GLU A 85 -0.633 -10.276 1.149 1.00 0.00 C ATOM 1205 CD GLU A 85 0.833 -10.601 0.856 1.00 0.00 C ATOM 1206 OE1 GLU A 85 1.665 -9.687 1.040 1.00 0.00 O ATOM 1207 OE2 GLU A 85 1.088 -11.757 0.454 1.00 0.00 O ATOM 0 H GLU A 85 -0.872 -7.946 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 85 0.386 -9.735 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.804 -8.179 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.220 -9.123 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.746 -10.001 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.246 -11.162 0.985 1.00 0.00 H new ATOM 1212 N LYS A 86 -2.461 -9.590 -2.676 1.00 0.00 N ATOM 1213 CA LYS A 86 -3.394 -10.341 -3.501 1.00 0.00 C ATOM 1214 C LYS A 86 -4.589 -10.770 -2.649 1.00 0.00 C ATOM 1215 O LYS A 86 -5.222 -11.788 -2.930 1.00 0.00 O ATOM 1216 CB LYS A 86 -2.681 -11.504 -4.193 1.00 0.00 C ATOM 1217 CG LYS A 86 -2.916 -12.816 -3.440 1.00 0.00 C ATOM 1218 CD LYS A 86 -3.979 -13.666 -4.140 1.00 0.00 C ATOM 1219 CE LYS A 86 -4.741 -14.530 -3.133 1.00 0.00 C ATOM 1220 NZ LYS A 86 -5.297 -15.731 -3.797 1.00 0.00 N ATOM 0 H LYS A 86 -2.607 -8.580 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.783 -9.715 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.041 -11.599 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.612 -11.299 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.982 -13.375 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.231 -12.602 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.677 -13.018 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.506 -14.303 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.074 -14.830 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.547 -13.950 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.811 -16.307 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.949 -15.439 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.522 -16.292 -4.205 1.00 0.00 H new ATOM 1230 N LEU A 87 -4.864 -9.974 -1.627 1.00 0.00 N ATOM 1231 CA LEU A 87 -5.972 -10.260 -0.732 1.00 0.00 C ATOM 1232 C LEU A 87 -6.983 -9.112 -0.797 1.00 0.00 C ATOM 1233 O LEU A 87 -7.541 -8.713 0.224 1.00 0.00 O ATOM 1234 CB LEU A 87 -5.461 -10.548 0.680 1.00 0.00 C ATOM 1235 CG LEU A 87 -4.046 -11.124 0.777 1.00 0.00 C ATOM 1236 CD1 LEU A 87 -3.397 -10.763 2.114 1.00 0.00 C ATOM 1237 CD2 LEU A 87 -4.052 -12.634 0.532 1.00 0.00 C ATOM 0 H LEU A 87 -4.338 -9.130 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.493 -11.164 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.495 -9.622 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.149 -11.245 1.159 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.439 -10.672 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.393 -11.185 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.340 -9.679 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.995 -11.168 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.035 -13.019 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.680 -13.121 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.446 -12.840 -0.463 1.00 0.00 H new ATOM 1248 N ASN A 88 -7.188 -8.616 -2.009 1.00 0.00 N ATOM 1249 CA ASN A 88 -8.122 -7.523 -2.220 1.00 0.00 C ATOM 1250 C ASN A 88 -9.363 -7.743 -1.354 1.00 0.00 C ATOM 1251 O ASN A 88 -10.020 -6.784 -0.948 1.00 0.00 O ATOM 1252 CB ASN A 88 -8.571 -7.458 -3.681 1.00 0.00 C ATOM 1253 CG ASN A 88 -9.868 -6.657 -3.821 1.00 0.00 C ATOM 1254 OD1 ASN A 88 -9.874 -5.496 -4.194 1.00 0.00 O ATOM 1255 ND2 ASN A 88 -10.963 -7.341 -3.504 1.00 0.00 N ATOM 0 H ASN A 88 -6.724 -8.950 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.619 -6.593 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.789 -6.999 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.719 -8.467 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.878 -6.896 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.888 -8.311 -3.199 1.00 0.00 H new ATOM 1261 N GLU A 89 -9.648 -9.011 -1.093 1.00 0.00 N ATOM 1262 CA GLU A 89 -10.798 -9.369 -0.282 1.00 0.00 C ATOM 1263 C GLU A 89 -10.808 -8.554 1.013 1.00 0.00 C ATOM 1264 O GLU A 89 -11.867 -8.135 1.480 1.00 0.00 O ATOM 1265 CB GLU A 89 -10.815 -10.870 0.014 1.00 0.00 C ATOM 1266 CG GLU A 89 -11.793 -11.599 -0.910 1.00 0.00 C ATOM 1267 CD GLU A 89 -12.180 -12.962 -0.331 1.00 0.00 C ATOM 1268 OE1 GLU A 89 -13.155 -12.990 0.452 1.00 0.00 O ATOM 1269 OE2 GLU A 89 -11.493 -13.945 -0.685 1.00 0.00 O ATOM 0 H GLU A 89 -9.101 -9.803 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.702 -9.133 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.814 -11.281 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.098 -11.036 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.687 -10.992 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.340 -11.732 -1.893 1.00 0.00 H new ATOM 1274 N LYS A 90 -9.617 -8.354 1.558 1.00 0.00 N ATOM 1275 CA LYS A 90 -9.475 -7.598 2.791 1.00 0.00 C ATOM 1276 C LYS A 90 -8.638 -6.346 2.521 1.00 0.00 C ATOM 1277 O LYS A 90 -8.770 -5.343 3.223 1.00 0.00 O ATOM 1278 CB LYS A 90 -8.913 -8.486 3.902 1.00 0.00 C ATOM 1279 CG LYS A 90 -10.019 -9.323 4.547 1.00 0.00 C ATOM 1280 CD LYS A 90 -9.435 -10.344 5.524 1.00 0.00 C ATOM 1281 CE LYS A 90 -10.520 -11.288 6.046 1.00 0.00 C ATOM 1282 NZ LYS A 90 -10.385 -12.626 5.429 1.00 0.00 N ATOM 0 H LYS A 90 -8.741 -8.702 1.168 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.449 -7.261 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.146 -9.144 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.432 -7.867 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.715 -8.669 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.588 -9.839 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.654 -10.921 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.966 -9.825 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.446 -11.372 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.505 -10.877 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.129 -13.254 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.478 -12.543 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.452 -13.023 5.662 1.00 0.00 H new ATOM 1292 N LEU A 91 -7.796 -6.443 1.504 1.00 0.00 N ATOM 1293 CA LEU A 91 -6.938 -5.330 1.133 1.00 0.00 C ATOM 1294 C LEU A 91 -7.783 -4.237 0.476 1.00 0.00 C ATOM 1295 O LEU A 91 -7.382 -3.074 0.442 1.00 0.00 O ATOM 1296 CB LEU A 91 -5.776 -5.816 0.263 1.00 0.00 C ATOM 1297 CG LEU A 91 -4.452 -6.063 0.988 1.00 0.00 C ATOM 1298 CD1 LEU A 91 -3.807 -7.370 0.522 1.00 0.00 C ATOM 1299 CD2 LEU A 91 -3.508 -4.869 0.831 1.00 0.00 C ATOM 0 H LEU A 91 -7.689 -7.275 0.924 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.480 -4.890 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.077 -6.742 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.605 -5.081 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.661 -6.169 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.867 -7.522 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.480 -8.202 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.614 -7.319 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.575 -5.072 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.301 -4.705 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.975 -3.978 1.251 1.00 0.00 H new ATOM 1310 N ASN A 92 -8.936 -4.648 -0.029 1.00 0.00 N ATOM 1311 CA ASN A 92 -9.842 -3.717 -0.682 1.00 0.00 C ATOM 1312 C ASN A 92 -10.461 -2.793 0.368 1.00 0.00 C ATOM 1313 O ASN A 92 -10.799 -1.648 0.070 1.00 0.00 O ATOM 1314 CB ASN A 92 -10.978 -4.459 -1.387 1.00 0.00 C ATOM 1315 CG ASN A 92 -11.996 -3.476 -1.970 1.00 0.00 C ATOM 1316 OD1 ASN A 92 -11.655 -2.495 -2.609 1.00 0.00 O ATOM 1317 ND2 ASN A 92 -13.262 -3.792 -1.713 1.00 0.00 N ATOM 0 H ASN A 92 -9.265 -5.613 0.000 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.271 -3.149 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.571 -5.082 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.474 -5.126 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.016 -3.198 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.479 -4.629 -1.171 1.00 0.00 H new ATOM 1323 N THR A 93 -10.590 -3.323 1.575 1.00 0.00 N ATOM 1324 CA THR A 93 -11.164 -2.560 2.670 1.00 0.00 C ATOM 1325 C THR A 93 -10.085 -1.715 3.353 1.00 0.00 C ATOM 1326 O THR A 93 -10.347 -0.589 3.773 1.00 0.00 O ATOM 1327 CB THR A 93 -11.858 -3.539 3.618 1.00 0.00 C ATOM 1328 OG1 THR A 93 -10.789 -4.125 4.357 1.00 0.00 O ATOM 1329 CG2 THR A 93 -12.491 -4.720 2.878 1.00 0.00 C ATOM 0 H THR A 93 -10.307 -4.272 1.819 1.00 0.00 H new ATOM 0 HA THR A 93 -11.910 -1.852 2.309 1.00 0.00 H new ATOM 0 HB THR A 93 -12.625 -3.012 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.278 -4.724 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.970 -5.385 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 93 -13.235 -4.351 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.719 -5.267 2.337 1.00 0.00 H new ATOM 1337 N ILE A 94 -8.896 -2.292 3.442 1.00 0.00 N ATOM 1338 CA ILE A 94 -7.777 -1.607 4.066 1.00 0.00 C ATOM 1339 C ILE A 94 -7.306 -0.472 3.155 1.00 0.00 C ATOM 1340 O ILE A 94 -6.984 0.616 3.628 1.00 0.00 O ATOM 1341 CB ILE A 94 -6.673 -2.603 4.429 1.00 0.00 C ATOM 1342 CG1 ILE A 94 -5.816 -2.939 3.207 1.00 0.00 C ATOM 1343 CG2 ILE A 94 -7.259 -3.857 5.080 1.00 0.00 C ATOM 1344 CD1 ILE A 94 -4.712 -1.898 3.009 1.00 0.00 C ATOM 0 H ILE A 94 -8.683 -3.226 3.092 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.086 -1.153 5.007 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.018 -2.135 5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.372 -3.927 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.445 -2.981 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.454 -4.548 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.792 -3.580 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.949 -4.338 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.117 -2.160 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.160 -0.916 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.071 -1.876 3.890 1.00 0.00 H new ATOM 1355 N ILE A 95 -7.281 -0.766 1.863 1.00 0.00 N ATOM 1356 CA ILE A 95 -6.855 0.217 0.881 1.00 0.00 C ATOM 1357 C ILE A 95 -7.965 1.250 0.685 1.00 0.00 C ATOM 1358 O ILE A 95 -7.705 2.452 0.673 1.00 0.00 O ATOM 1359 CB ILE A 95 -6.422 -0.474 -0.414 1.00 0.00 C ATOM 1360 CG1 ILE A 95 -5.485 0.422 -1.226 1.00 0.00 C ATOM 1361 CG2 ILE A 95 -7.637 -0.922 -1.230 1.00 0.00 C ATOM 1362 CD1 ILE A 95 -4.246 0.801 -0.412 1.00 0.00 C ATOM 0 H ILE A 95 -7.549 -1.670 1.474 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.977 0.756 1.237 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.862 -1.372 -0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.182 -0.094 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.014 1.325 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.301 -1.410 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.232 -1.622 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.245 -0.054 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.597 1.438 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.551 1.338 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.706 -0.103 -0.129 1.00 0.00 H new ATOM 1373 N LYS A 96 -9.181 0.744 0.534 1.00 0.00 N ATOM 1374 CA LYS A 96 -10.332 1.609 0.339 1.00 0.00 C ATOM 1375 C LYS A 96 -10.564 2.436 1.604 1.00 0.00 C ATOM 1376 O LYS A 96 -11.146 3.518 1.546 1.00 0.00 O ATOM 1377 CB LYS A 96 -11.552 0.789 -0.091 1.00 0.00 C ATOM 1378 CG LYS A 96 -12.728 1.701 -0.443 1.00 0.00 C ATOM 1379 CD LYS A 96 -13.573 1.097 -1.567 1.00 0.00 C ATOM 1380 CE LYS A 96 -15.064 1.173 -1.233 1.00 0.00 C ATOM 1381 NZ LYS A 96 -15.828 1.693 -2.388 1.00 0.00 N ATOM 0 H LYS A 96 -9.394 -0.254 0.543 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.146 2.312 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.295 0.172 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.841 0.111 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.348 1.857 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.356 2.679 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.378 1.628 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.285 0.058 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.433 0.184 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.216 1.819 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.838 1.738 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.487 2.645 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.697 1.061 -3.204 1.00 0.00 H new ATOM 1391 N GLN A 97 -10.095 1.896 2.721 1.00 0.00 N ATOM 1392 CA GLN A 97 -10.244 2.572 3.998 1.00 0.00 C ATOM 1393 C GLN A 97 -9.196 3.678 4.139 1.00 0.00 C ATOM 1394 O GLN A 97 -9.496 4.762 4.637 1.00 0.00 O ATOM 1395 CB GLN A 97 -10.152 1.577 5.158 1.00 0.00 C ATOM 1396 CG GLN A 97 -10.027 2.306 6.497 1.00 0.00 C ATOM 1397 CD GLN A 97 -10.369 1.375 7.662 1.00 0.00 C ATOM 1398 OE1 GLN A 97 -11.084 0.397 7.519 1.00 0.00 O ATOM 1399 NE2 GLN A 97 -9.819 1.733 8.819 1.00 0.00 N ATOM 0 H GLN A 97 -9.612 0.999 2.767 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.233 3.030 4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.037 0.941 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.292 0.924 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.012 2.685 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.693 3.169 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.230 2.564 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.986 1.176 9.657 1.00 0.00 H new ATOM 1406 N ILE A 98 -7.988 3.365 3.692 1.00 0.00 N ATOM 1407 CA ILE A 98 -6.895 4.318 3.763 1.00 0.00 C ATOM 1408 C ILE A 98 -7.026 5.323 2.617 1.00 0.00 C ATOM 1409 O ILE A 98 -6.308 6.322 2.577 1.00 0.00 O ATOM 1410 CB ILE A 98 -5.550 3.590 3.791 1.00 0.00 C ATOM 1411 CG1 ILE A 98 -5.164 3.203 5.220 1.00 0.00 C ATOM 1412 CG2 ILE A 98 -4.461 4.421 3.108 1.00 0.00 C ATOM 1413 CD1 ILE A 98 -6.033 2.051 5.730 1.00 0.00 C ATOM 0 H ILE A 98 -7.743 2.465 3.280 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.944 4.885 4.693 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.652 2.665 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.114 2.912 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.275 4.066 5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.515 3.880 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.739 4.601 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.353 5.374 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.738 1.796 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.080 2.353 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.901 1.182 5.085 1.00 0.00 H new ATOM 1424 N LEU A 99 -7.948 5.026 1.713 1.00 0.00 N ATOM 1425 CA LEU A 99 -8.183 5.892 0.570 1.00 0.00 C ATOM 1426 C LEU A 99 -9.550 6.562 0.716 1.00 0.00 C ATOM 1427 O LEU A 99 -9.826 7.565 0.060 1.00 0.00 O ATOM 1428 CB LEU A 99 -8.016 5.111 -0.736 1.00 0.00 C ATOM 1429 CG LEU A 99 -6.595 5.038 -1.296 1.00 0.00 C ATOM 1430 CD1 LEU A 99 -5.607 4.566 -0.228 1.00 0.00 C ATOM 1431 CD2 LEU A 99 -6.544 4.162 -2.550 1.00 0.00 C ATOM 0 H LEU A 99 -8.541 4.197 1.749 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.440 6.689 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.375 4.094 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.660 5.562 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.293 6.043 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.604 4.523 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.616 5.263 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.895 3.575 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.522 4.127 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.874 3.153 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.199 4.581 -3.314 1.00 0.00 H new ATOM 1442 N SER A 100 -10.370 5.980 1.579 1.00 0.00 N ATOM 1443 CA SER A 100 -11.702 6.509 1.818 1.00 0.00 C ATOM 1444 C SER A 100 -11.749 7.212 3.176 1.00 0.00 C ATOM 1445 O SER A 100 -12.745 7.851 3.515 1.00 0.00 O ATOM 1446 CB SER A 100 -12.754 5.400 1.758 1.00 0.00 C ATOM 1447 OG SER A 100 -14.081 5.918 1.824 1.00 0.00 O ATOM 0 H SER A 100 -10.138 5.148 2.121 1.00 0.00 H new ATOM 0 HA SER A 100 -11.929 7.231 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.631 4.834 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.595 4.704 2.582 1.00 0.00 H new ATOM 0 HG SER A 100 -14.072 6.782 2.286 1.00 0.00 H new ATOM 1452 N ILE A 101 -10.660 7.070 3.919 1.00 0.00 N ATOM 1453 CA ILE A 101 -10.566 7.684 5.233 1.00 0.00 C ATOM 1454 C ILE A 101 -10.631 9.205 5.086 1.00 0.00 C ATOM 1455 O ILE A 101 -10.663 9.927 6.082 1.00 0.00 O ATOM 1456 CB ILE A 101 -9.316 7.189 5.965 1.00 0.00 C ATOM 1457 CG1 ILE A 101 -9.686 6.209 7.080 1.00 0.00 C ATOM 1458 CG2 ILE A 101 -8.486 8.363 6.487 1.00 0.00 C ATOM 1459 CD1 ILE A 101 -10.655 6.851 8.075 1.00 0.00 C ATOM 0 H ILE A 101 -9.836 6.539 3.636 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.411 7.388 5.855 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.695 6.647 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.140 5.317 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.784 5.888 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.604 7.984 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.176 8.990 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.086 8.953 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.902 6.133 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -10.189 7.729 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.566 7.149 7.555 1.00 0.00 H new ATOM 1470 N SER A 102 -10.649 9.647 3.838 1.00 0.00 N ATOM 1471 CA SER A 102 -10.710 11.070 3.548 1.00 0.00 C ATOM 1472 C SER A 102 -9.303 11.610 3.283 1.00 0.00 C ATOM 1473 O SER A 102 -9.037 12.792 3.499 1.00 0.00 O ATOM 1474 CB SER A 102 -11.365 11.838 4.697 1.00 0.00 C ATOM 1475 OG SER A 102 -11.930 13.072 4.261 1.00 0.00 O ATOM 0 H SER A 102 -10.622 9.045 3.015 1.00 0.00 H new ATOM 0 HA SER A 102 -11.321 11.212 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.143 11.222 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.624 12.032 5.472 1.00 0.00 H new ATOM 0 HG SER A 102 -11.253 13.589 3.777 1.00 0.00 H new ATOM 1480 N VAL A 103 -8.439 10.721 2.817 1.00 0.00 N ATOM 1481 CA VAL A 103 -7.067 11.094 2.519 1.00 0.00 C ATOM 1482 C VAL A 103 -6.810 10.922 1.021 1.00 0.00 C ATOM 1483 O VAL A 103 -5.959 11.603 0.451 1.00 0.00 O ATOM 1484 CB VAL A 103 -6.104 10.283 3.389 1.00 0.00 C ATOM 1485 CG1 VAL A 103 -6.465 10.408 4.870 1.00 0.00 C ATOM 1486 CG2 VAL A 103 -6.075 8.816 2.953 1.00 0.00 C ATOM 0 H VAL A 103 -8.663 9.742 2.638 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.895 12.143 2.759 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.103 10.693 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.765 9.822 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.410 11.454 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.477 10.037 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.383 8.262 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.074 8.389 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.748 8.751 1.915 1.00 0.00 H new ATOM 1496 N SER A 104 -7.559 10.006 0.425 1.00 0.00 N ATOM 1497 CA SER A 104 -7.423 9.735 -0.996 1.00 0.00 C ATOM 1498 C SER A 104 -8.730 10.066 -1.719 1.00 0.00 C ATOM 1499 O SER A 104 -8.712 10.544 -2.852 1.00 0.00 O ATOM 1500 CB SER A 104 -7.033 8.276 -1.244 1.00 0.00 C ATOM 1501 OG SER A 104 -6.454 8.091 -2.532 1.00 0.00 O ATOM 0 H SER A 104 -8.263 9.442 0.901 1.00 0.00 H new ATOM 0 HA SER A 104 -6.627 10.367 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.326 7.954 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.916 7.643 -1.149 1.00 0.00 H new ATOM 0 HG SER A 104 -6.861 8.717 -3.167 1.00 0.00 H new ATOM 1506 N GLU A 105 -9.833 9.799 -1.034 1.00 0.00 N ATOM 1507 CA GLU A 105 -11.145 10.062 -1.597 1.00 0.00 C ATOM 1508 C GLU A 105 -11.303 11.553 -1.903 1.00 0.00 C ATOM 1509 O GLU A 105 -12.083 11.933 -2.775 1.00 0.00 O ATOM 1510 CB GLU A 105 -12.253 9.576 -0.659 1.00 0.00 C ATOM 1511 CG GLU A 105 -13.095 8.486 -1.324 1.00 0.00 C ATOM 1512 CD GLU A 105 -14.573 8.635 -0.959 1.00 0.00 C ATOM 1513 OE1 GLU A 105 -14.853 8.696 0.257 1.00 0.00 O ATOM 1514 OE2 GLU A 105 -15.389 8.683 -1.904 1.00 0.00 O ATOM 0 H GLU A 105 -9.844 9.403 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.235 9.507 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.813 9.190 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.891 10.414 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.977 8.540 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.737 7.505 -1.013 1.00 0.00 H new ATOM 1519 N GLU A 106 -10.548 12.358 -1.170 1.00 0.00 N ATOM 1520 CA GLU A 106 -10.594 13.799 -1.351 1.00 0.00 C ATOM 1521 C GLU A 106 -9.822 14.200 -2.610 1.00 0.00 C ATOM 1522 O GLU A 106 -9.934 15.332 -3.077 1.00 0.00 O ATOM 1523 CB GLU A 106 -10.050 14.525 -0.120 1.00 0.00 C ATOM 1524 CG GLU A 106 -10.567 15.963 -0.057 1.00 0.00 C ATOM 1525 CD GLU A 106 -10.355 16.563 1.334 1.00 0.00 C ATOM 1526 OE1 GLU A 106 -9.189 16.550 1.786 1.00 0.00 O ATOM 1527 OE2 GLU A 106 -11.363 17.021 1.914 1.00 0.00 O ATOM 0 H GLU A 106 -9.901 12.039 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.635 14.097 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.345 13.989 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.960 14.528 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.052 16.571 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.628 15.983 -0.307 1.00 0.00 H new ATOM 1532 N GLY A 107 -9.054 13.249 -3.122 1.00 0.00 N ATOM 1533 CA GLY A 107 -8.263 13.489 -4.318 1.00 0.00 C ATOM 1534 C GLY A 107 -9.148 13.506 -5.566 1.00 0.00 C ATOM 1535 O GLY A 107 -8.903 12.762 -6.514 1.00 0.00 O ATOM 0 H GLY A 107 -8.963 12.311 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.739 14.440 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.503 12.714 -4.417 1.00 0.00 H new ATOM 1539 N GLU A 108 -10.156 14.363 -5.526 1.00 0.00 N ATOM 1540 CA GLU A 108 -11.079 14.487 -6.642 1.00 0.00 C ATOM 1541 C GLU A 108 -11.897 13.204 -6.799 1.00 0.00 C ATOM 1542 O GLU A 108 -12.189 12.783 -7.918 1.00 0.00 O ATOM 1543 CB GLU A 108 -10.332 14.824 -7.934 1.00 0.00 C ATOM 1544 CG GLU A 108 -10.240 16.338 -8.135 1.00 0.00 C ATOM 1545 CD GLU A 108 -11.611 16.932 -8.463 1.00 0.00 C ATOM 1546 OE1 GLU A 108 -12.269 16.375 -9.368 1.00 0.00 O ATOM 1547 OE2 GLU A 108 -11.970 17.930 -7.801 1.00 0.00 O ATOM 0 H GLU A 108 -10.355 14.979 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.765 15.308 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.330 14.396 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.844 14.371 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.844 16.805 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.541 16.560 -8.942 1.00 0.00 H new ATOM 1552 N LYS A 109 -12.244 12.618 -5.663 1.00 0.00 N ATOM 1553 CA LYS A 109 -13.023 11.391 -5.661 1.00 0.00 C ATOM 1554 C LYS A 109 -12.341 10.357 -6.558 1.00 0.00 C ATOM 1555 O LYS A 109 -12.843 10.034 -7.633 1.00 0.00 O ATOM 1556 CB LYS A 109 -14.475 11.678 -6.048 1.00 0.00 C ATOM 1557 CG LYS A 109 -15.437 11.221 -4.949 1.00 0.00 C ATOM 1558 CD LYS A 109 -15.581 12.291 -3.865 1.00 0.00 C ATOM 1559 CE LYS A 109 -17.047 12.686 -3.676 1.00 0.00 C ATOM 1560 NZ LYS A 109 -17.691 11.817 -2.666 1.00 0.00 N ATOM 0 H LYS A 109 -12.000 12.970 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.062 10.967 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.603 12.746 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.714 11.167 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.413 11.004 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.073 10.295 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.177 11.917 -2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.996 13.170 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.112 13.728 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.577 12.605 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.685 12.098 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.646 10.827 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.195 11.915 -1.757 1.00 0.00 H new