USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 140:sc= -0.24 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot -57:sc= 0.271 USER MOD Set 2.2: A 13 HIS : no HE2:sc= -3.63! C(o=-3.4!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0966 (180deg=-1.19) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc=-0.00308 X(o=-0.0031,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-6.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 122:sc= 1! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 39 TYR OH : rot 180:sc= -1.38! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.9) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 76 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.082) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.681 9.596 -8.826 1.00 0.00 N ATOM 2 CA MET A 1 -9.438 9.027 -9.426 1.00 0.00 C ATOM 3 C MET A 1 -8.388 8.776 -8.341 1.00 0.00 C ATOM 4 O MET A 1 -7.377 9.446 -8.276 1.00 0.00 O ATOM 5 CB MET A 1 -8.944 10.084 -10.417 1.00 0.00 C ATOM 6 CG MET A 1 -8.701 11.408 -9.686 1.00 0.00 C ATOM 7 SD MET A 1 -9.807 12.682 -10.344 1.00 0.00 S ATOM 8 CE MET A 1 -8.527 13.882 -10.786 1.00 0.00 C ATOM 0 H1 MET A 1 -11.070 10.324 -9.459 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.382 8.839 -8.696 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.458 10.023 -7.904 1.00 0.00 H new ATOM 0 HA MET A 1 -9.624 8.070 -9.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.023 9.747 -10.893 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.680 10.225 -11.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.873 11.281 -8.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.663 11.716 -9.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.992 14.767 -11.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.970 14.166 -9.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.846 13.437 -11.512 1.00 0.00 H new ATOM 20 N VAL A 2 -8.618 7.812 -7.492 1.00 0.00 N ATOM 21 CA VAL A 2 -7.629 7.516 -6.415 1.00 0.00 C ATOM 22 C VAL A 2 -6.477 6.677 -6.974 1.00 0.00 C ATOM 23 O VAL A 2 -6.656 5.887 -7.879 1.00 0.00 O ATOM 24 CB VAL A 2 -8.410 6.726 -5.368 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.463 6.295 -4.247 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.518 7.609 -4.790 1.00 0.00 C ATOM 0 H VAL A 2 -9.446 7.217 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.189 8.421 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.852 5.843 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.019 5.731 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.672 5.669 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.023 7.178 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.078 7.048 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.076 8.491 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.191 7.919 -5.590 1.00 0.00 H new ATOM 36 N LYS A 3 -5.293 6.845 -6.448 1.00 0.00 N ATOM 37 CA LYS A 3 -4.135 6.056 -6.963 1.00 0.00 C ATOM 38 C LYS A 3 -3.219 5.609 -5.817 1.00 0.00 C ATOM 39 O LYS A 3 -2.785 6.408 -5.010 1.00 0.00 O ATOM 40 CB LYS A 3 -3.394 7.020 -7.891 1.00 0.00 C ATOM 41 CG LYS A 3 -3.819 6.766 -9.337 1.00 0.00 C ATOM 42 CD LYS A 3 -3.427 7.966 -10.201 1.00 0.00 C ATOM 43 CE LYS A 3 -4.309 9.163 -9.843 1.00 0.00 C ATOM 44 NZ LYS A 3 -4.603 9.827 -11.144 1.00 0.00 N ATOM 0 H LYS A 3 -5.078 7.491 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.456 5.147 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.614 8.051 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.317 6.885 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.342 5.861 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.896 6.604 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.377 8.214 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.541 7.720 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.225 8.844 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.796 9.841 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.205 10.659 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.712 10.126 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.097 9.160 -11.770 1.00 0.00 H new ATOM 58 N ILE A 4 -2.904 4.340 -5.751 1.00 0.00 N ATOM 59 CA ILE A 4 -2.000 3.853 -4.675 1.00 0.00 C ATOM 60 C ILE A 4 -0.583 3.689 -5.242 1.00 0.00 C ATOM 61 O ILE A 4 -0.392 3.115 -6.296 1.00 0.00 O ATOM 62 CB ILE A 4 -2.589 2.523 -4.214 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.906 2.785 -3.487 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.615 1.821 -3.265 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.603 1.457 -3.222 1.00 0.00 C ATOM 0 H ILE A 4 -3.235 3.624 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.925 4.544 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.764 1.885 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.720 3.306 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.545 3.431 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.043 0.873 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.673 1.636 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.434 2.454 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.544 1.637 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.801 0.955 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.963 0.827 -2.604 1.00 0.00 H new ATOM 77 N ARG A 5 0.411 4.203 -4.566 1.00 0.00 N ATOM 78 CA ARG A 5 1.801 4.088 -5.089 1.00 0.00 C ATOM 79 C ARG A 5 2.811 4.089 -3.941 1.00 0.00 C ATOM 80 O ARG A 5 2.456 3.924 -2.795 1.00 0.00 O ATOM 81 CB ARG A 5 1.993 5.314 -5.982 1.00 0.00 C ATOM 82 CG ARG A 5 1.897 6.588 -5.139 1.00 0.00 C ATOM 83 CD ARG A 5 1.813 7.805 -6.063 1.00 0.00 C ATOM 84 NE ARG A 5 3.133 7.857 -6.756 1.00 0.00 N ATOM 85 CZ ARG A 5 4.210 8.261 -6.124 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.159 8.617 -4.865 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.349 8.306 -6.758 1.00 0.00 N ATOM 0 H ARG A 5 0.319 4.696 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 5 1.956 3.158 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.963 5.267 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.235 5.327 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.019 6.546 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.767 6.672 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.996 7.702 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.628 8.718 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 5 3.199 7.575 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.273 8.583 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.005 8.929 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.398 8.028 -7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.190 8.619 -6.274 1.00 0.00 H new ATOM 101 N LEU A 6 4.068 4.291 -4.241 1.00 0.00 N ATOM 102 CA LEU A 6 5.095 4.305 -3.158 1.00 0.00 C ATOM 103 C LEU A 6 5.259 5.712 -2.593 1.00 0.00 C ATOM 104 O LEU A 6 5.462 6.669 -3.313 1.00 0.00 O ATOM 105 CB LEU A 6 6.401 3.862 -3.822 1.00 0.00 C ATOM 106 CG LEU A 6 6.265 2.429 -4.322 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.588 1.973 -4.940 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.902 1.507 -3.155 1.00 0.00 C ATOM 0 H LEU A 6 4.426 4.446 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 6 4.810 3.653 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.641 4.526 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.224 3.932 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 6 5.478 2.385 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.489 0.948 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.843 2.625 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.376 2.021 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.806 0.483 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.685 1.552 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.956 1.828 -2.718 1.00 0.00 H new ATOM 120 N ALA A 7 5.176 5.834 -1.305 1.00 0.00 N ATOM 121 CA ALA A 7 5.327 7.167 -0.664 1.00 0.00 C ATOM 122 C ALA A 7 6.747 7.313 -0.112 1.00 0.00 C ATOM 123 O ALA A 7 7.084 6.749 0.902 1.00 0.00 O ATOM 124 CB ALA A 7 4.307 7.146 0.465 1.00 0.00 C ATOM 0 H ALA A 7 5.008 5.062 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 7 5.168 7.999 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.340 8.093 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.309 6.999 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.540 6.331 1.150 1.00 0.00 H new ATOM 130 N ARG A 8 7.585 8.048 -0.788 1.00 0.00 N ATOM 131 CA ARG A 8 8.994 8.203 -0.322 1.00 0.00 C ATOM 132 C ARG A 8 9.102 9.080 0.931 1.00 0.00 C ATOM 133 O ARG A 8 8.717 10.233 0.932 1.00 0.00 O ATOM 134 CB ARG A 8 9.714 8.881 -1.485 1.00 0.00 C ATOM 135 CG ARG A 8 11.227 8.795 -1.271 1.00 0.00 C ATOM 136 CD ARG A 8 11.941 9.726 -2.252 1.00 0.00 C ATOM 137 NE ARG A 8 13.369 9.298 -2.213 1.00 0.00 N ATOM 138 CZ ARG A 8 14.131 9.591 -1.185 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.665 10.288 -0.177 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.372 9.183 -1.169 1.00 0.00 N ATOM 0 H ARG A 8 7.356 8.550 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 8 9.420 7.237 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.441 8.401 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.405 9.924 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.475 9.072 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.567 7.769 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.528 9.634 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.833 10.770 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 8 13.758 8.771 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.697 10.611 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.270 10.507 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.741 8.642 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.972 9.406 -0.375 1.00 0.00 H new ATOM 154 N PHE A 9 9.668 8.549 1.986 1.00 0.00 N ATOM 155 CA PHE A 9 9.851 9.358 3.235 1.00 0.00 C ATOM 156 C PHE A 9 11.345 9.425 3.573 1.00 0.00 C ATOM 157 O PHE A 9 12.193 9.358 2.704 1.00 0.00 O ATOM 158 CB PHE A 9 9.139 8.610 4.365 1.00 0.00 C ATOM 159 CG PHE A 9 7.847 8.003 3.916 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.724 8.802 3.686 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.771 6.623 3.771 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.522 8.208 3.311 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.580 6.031 3.392 1.00 0.00 C ATOM 164 CZ PHE A 9 5.455 6.821 3.164 1.00 0.00 C ATOM 0 H PHE A 9 10.012 7.590 2.038 1.00 0.00 H new ATOM 0 HA PHE A 9 9.455 10.365 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.793 7.826 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.948 9.297 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.788 9.874 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.643 6.012 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.647 8.816 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.522 4.959 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.525 6.357 2.871 1.00 0.00 H new ATOM 174 N GLY A 10 11.671 9.525 4.839 1.00 0.00 N ATOM 175 CA GLY A 10 13.097 9.560 5.249 1.00 0.00 C ATOM 176 C GLY A 10 13.853 10.624 4.454 1.00 0.00 C ATOM 177 O GLY A 10 14.291 10.388 3.347 1.00 0.00 O ATOM 0 H GLY A 10 11.001 9.584 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.170 9.773 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.553 8.583 5.087 1.00 0.00 H new ATOM 181 N SER A 11 14.025 11.793 5.015 1.00 0.00 N ATOM 182 CA SER A 11 14.773 12.865 4.292 1.00 0.00 C ATOM 183 C SER A 11 16.099 12.305 3.776 1.00 0.00 C ATOM 184 O SER A 11 16.565 12.651 2.709 1.00 0.00 O ATOM 185 CB SER A 11 15.028 13.947 5.342 1.00 0.00 C ATOM 186 OG SER A 11 16.053 13.514 6.220 1.00 0.00 O ATOM 0 H SER A 11 13.681 12.051 5.940 1.00 0.00 H new ATOM 0 HA SER A 11 14.224 13.253 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.318 14.879 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.115 14.149 5.902 1.00 0.00 H new ATOM 0 HG SER A 11 15.794 12.663 6.631 1.00 0.00 H new ATOM 192 N LYS A 12 16.702 11.431 4.537 1.00 0.00 N ATOM 193 CA LYS A 12 17.999 10.823 4.122 1.00 0.00 C ATOM 194 C LYS A 12 18.480 9.844 5.194 1.00 0.00 C ATOM 195 O LYS A 12 19.488 10.061 5.837 1.00 0.00 O ATOM 196 CB LYS A 12 18.977 11.994 3.996 1.00 0.00 C ATOM 197 CG LYS A 12 18.944 12.848 5.267 1.00 0.00 C ATOM 198 CD LYS A 12 20.347 13.388 5.555 1.00 0.00 C ATOM 199 CE LYS A 12 20.633 14.582 4.642 1.00 0.00 C ATOM 200 NZ LYS A 12 22.029 14.987 4.968 1.00 0.00 N ATOM 0 H LYS A 12 16.347 11.109 5.438 1.00 0.00 H new ATOM 0 HA LYS A 12 17.912 10.268 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.986 11.618 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.716 12.605 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.243 13.674 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.592 12.252 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.425 13.689 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.089 12.607 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.536 14.308 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.932 15.396 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.300 15.802 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.089 15.248 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.674 14.194 4.777 1.00 0.00 H new ATOM 214 N HIS A 13 17.765 8.771 5.401 1.00 0.00 N ATOM 215 CA HIS A 13 18.188 7.790 6.447 1.00 0.00 C ATOM 216 C HIS A 13 17.932 6.365 5.956 1.00 0.00 C ATOM 217 O HIS A 13 18.841 5.576 5.790 1.00 0.00 O ATOM 218 CB HIS A 13 17.321 8.076 7.687 1.00 0.00 C ATOM 219 CG HIS A 13 17.088 9.556 7.837 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.090 10.432 8.225 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.978 10.328 7.624 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.562 11.669 8.228 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.277 11.660 7.874 1.00 0.00 N ATOM 0 H HIS A 13 16.912 8.531 4.896 1.00 0.00 H new ATOM 0 HA HIS A 13 19.250 7.885 6.673 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.366 7.559 7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.812 7.687 8.579 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.050 10.184 8.464 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.014 9.956 7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.113 12.562 8.486 1.00 0.00 H new ATOM 231 N ASN A 14 16.691 6.033 5.728 1.00 0.00 N ATOM 232 CA ASN A 14 16.352 4.662 5.253 1.00 0.00 C ATOM 233 C ASN A 14 15.470 4.743 3.996 1.00 0.00 C ATOM 234 O ASN A 14 14.484 5.453 3.986 1.00 0.00 O ATOM 235 CB ASN A 14 15.576 4.039 6.413 1.00 0.00 C ATOM 236 CG ASN A 14 16.556 3.564 7.489 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.553 4.066 8.594 1.00 0.00 O ATOM 238 ND2 ASN A 14 17.402 2.611 7.208 1.00 0.00 N ATOM 0 H ASN A 14 15.893 6.656 5.851 1.00 0.00 H new ATOM 0 HA ASN A 14 17.233 4.079 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.883 4.768 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.978 3.201 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 14 18.060 2.288 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.405 2.189 6.279 1.00 0.00 H new ATOM 245 N PRO A 15 15.850 4.018 2.969 1.00 0.00 N ATOM 246 CA PRO A 15 15.069 4.030 1.709 1.00 0.00 C ATOM 247 C PRO A 15 13.823 3.149 1.836 1.00 0.00 C ATOM 248 O PRO A 15 13.881 1.948 1.659 1.00 0.00 O ATOM 249 CB PRO A 15 16.034 3.448 0.683 1.00 0.00 C ATOM 250 CG PRO A 15 16.988 2.602 1.469 1.00 0.00 C ATOM 251 CD PRO A 15 17.021 3.136 2.880 1.00 0.00 C ATOM 0 HA PRO A 15 14.712 5.025 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.504 2.854 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.560 4.238 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.669 1.560 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.983 2.634 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.966 2.329 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.944 3.681 3.076 1.00 0.00 H new ATOM 259 N HIS A 16 12.693 3.733 2.131 1.00 0.00 N ATOM 260 CA HIS A 16 11.448 2.921 2.257 1.00 0.00 C ATOM 261 C HIS A 16 10.230 3.744 1.862 1.00 0.00 C ATOM 262 O HIS A 16 10.032 4.849 2.324 1.00 0.00 O ATOM 263 CB HIS A 16 11.348 2.534 3.733 1.00 0.00 C ATOM 264 CG HIS A 16 11.272 3.776 4.579 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.088 4.490 4.774 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.239 4.453 5.279 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.390 5.547 5.563 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.683 5.565 5.896 1.00 0.00 N ATOM 0 H HIS A 16 12.578 4.734 2.290 1.00 0.00 H new ATOM 0 HA HIS A 16 11.481 2.048 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.466 1.916 3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.214 1.938 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.278 4.164 5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.672 6.287 5.885 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.161 6.251 6.480 1.00 0.00 H new ATOM 276 N TYR A 17 9.395 3.203 1.034 1.00 0.00 N ATOM 277 CA TYR A 17 8.173 3.929 0.648 1.00 0.00 C ATOM 278 C TYR A 17 6.983 3.140 1.148 1.00 0.00 C ATOM 279 O TYR A 17 7.027 1.926 1.195 1.00 0.00 O ATOM 280 CB TYR A 17 8.113 3.910 -0.871 1.00 0.00 C ATOM 281 CG TYR A 17 9.362 4.453 -1.507 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.563 3.748 -1.414 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.300 5.647 -2.230 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.709 4.243 -2.039 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.442 6.141 -2.860 1.00 0.00 C ATOM 286 CZ TYR A 17 11.651 5.441 -2.764 1.00 0.00 C ATOM 287 OH TYR A 17 12.782 5.928 -3.388 1.00 0.00 O ATOM 0 H TYR A 17 9.509 2.284 0.607 1.00 0.00 H new ATOM 0 HA TYR A 17 8.169 4.942 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.952 2.887 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.256 4.496 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.606 2.822 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.368 6.187 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.641 3.702 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.394 7.062 -3.421 1.00 0.00 H new ATOM 0 HH TYR A 17 12.567 6.767 -3.847 1.00 0.00 H new ATOM 297 N ARG A 18 5.905 3.780 1.459 1.00 0.00 N ATOM 298 CA ARG A 18 4.724 2.995 1.869 1.00 0.00 C ATOM 299 C ARG A 18 3.830 2.905 0.649 1.00 0.00 C ATOM 300 O ARG A 18 3.930 3.713 -0.255 1.00 0.00 O ATOM 301 CB ARG A 18 4.046 3.761 3.007 1.00 0.00 C ATOM 302 CG ARG A 18 3.867 2.847 4.219 1.00 0.00 C ATOM 303 CD ARG A 18 3.913 3.687 5.496 1.00 0.00 C ATOM 304 NE ARG A 18 3.841 2.703 6.617 1.00 0.00 N ATOM 305 CZ ARG A 18 4.081 3.075 7.853 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.391 4.316 8.135 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.010 2.197 8.817 1.00 0.00 N ATOM 0 H ARG A 18 5.789 4.793 1.448 1.00 0.00 H new ATOM 0 HA ARG A 18 4.964 1.991 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.647 4.628 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.077 4.136 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.917 2.317 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.652 2.091 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.829 4.275 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.080 4.390 5.535 1.00 0.00 H new ATOM 0 HE ARG A 18 3.603 1.731 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.449 5.009 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.575 4.589 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.769 1.228 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.195 2.480 9.779 1.00 0.00 H new ATOM 321 N ILE A 19 2.949 1.969 0.611 1.00 0.00 N ATOM 322 CA ILE A 19 2.049 1.878 -0.551 1.00 0.00 C ATOM 323 C ILE A 19 0.786 2.559 -0.073 1.00 0.00 C ATOM 324 O ILE A 19 -0.118 1.952 0.468 1.00 0.00 O ATOM 325 CB ILE A 19 1.849 0.390 -0.872 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.031 -0.472 -0.384 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.760 0.217 -2.384 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.772 -1.942 -0.723 1.00 0.00 C ATOM 0 H ILE A 19 2.810 1.261 1.332 1.00 0.00 H new ATOM 0 HA ILE A 19 2.411 2.345 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 19 0.939 0.068 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.956 -0.138 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.160 -0.354 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.618 -0.837 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.917 0.792 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.681 0.572 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.609 -2.548 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.857 -2.273 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.665 -2.053 -1.802 1.00 0.00 H new ATOM 340 N VAL A 20 0.799 3.855 -0.170 1.00 0.00 N ATOM 341 CA VAL A 20 -0.301 4.671 0.376 1.00 0.00 C ATOM 342 C VAL A 20 -1.312 5.069 -0.706 1.00 0.00 C ATOM 343 O VAL A 20 -1.107 4.850 -1.883 1.00 0.00 O ATOM 344 CB VAL A 20 0.461 5.872 0.989 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.364 7.124 0.114 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.092 6.177 2.375 1.00 0.00 C ATOM 0 H VAL A 20 1.545 4.389 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.923 4.154 1.107 1.00 0.00 H new ATOM 0 HB VAL A 20 1.513 5.594 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.913 7.940 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.792 6.916 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.682 7.409 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.446 7.022 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.151 6.422 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.033 5.305 3.017 1.00 0.00 H new ATOM 356 N VAL A 21 -2.419 5.615 -0.290 1.00 0.00 N ATOM 357 CA VAL A 21 -3.486 5.994 -1.256 1.00 0.00 C ATOM 358 C VAL A 21 -3.671 7.512 -1.273 1.00 0.00 C ATOM 359 O VAL A 21 -4.093 8.107 -0.301 1.00 0.00 O ATOM 360 CB VAL A 21 -4.771 5.309 -0.747 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.651 4.947 -1.936 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.453 4.021 0.016 1.00 0.00 C ATOM 0 H VAL A 21 -2.632 5.817 0.687 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.237 5.686 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.277 6.004 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.561 4.462 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.912 5.852 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.111 4.267 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.381 3.564 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.930 3.328 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.822 4.253 0.874 1.00 0.00 H new ATOM 372 N THR A 22 -3.362 8.142 -2.371 1.00 0.00 N ATOM 373 CA THR A 22 -3.524 9.621 -2.452 1.00 0.00 C ATOM 374 C THR A 22 -4.071 10.014 -3.827 1.00 0.00 C ATOM 375 O THR A 22 -4.573 9.187 -4.562 1.00 0.00 O ATOM 376 CB THR A 22 -2.114 10.192 -2.246 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.124 11.586 -2.512 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.124 9.503 -3.188 1.00 0.00 C ATOM 0 H THR A 22 -3.004 7.697 -3.216 1.00 0.00 H new ATOM 0 HA THR A 22 -4.225 10.002 -1.709 1.00 0.00 H new ATOM 0 HB THR A 22 -1.807 10.016 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.814 12.072 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.127 9.916 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.110 8.433 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.429 9.669 -4.221 1.00 0.00 H new ATOM 386 N ASP A 23 -3.977 11.265 -4.182 1.00 0.00 N ATOM 387 CA ASP A 23 -4.491 11.704 -5.511 1.00 0.00 C ATOM 388 C ASP A 23 -3.361 12.328 -6.332 1.00 0.00 C ATOM 389 O ASP A 23 -2.312 12.658 -5.814 1.00 0.00 O ATOM 390 CB ASP A 23 -5.566 12.743 -5.196 1.00 0.00 C ATOM 391 CG ASP A 23 -6.901 12.038 -4.955 1.00 0.00 C ATOM 392 OD1 ASP A 23 -7.235 11.164 -5.738 1.00 0.00 O ATOM 393 OD2 ASP A 23 -7.567 12.382 -3.993 1.00 0.00 O ATOM 0 H ASP A 23 -3.567 12.003 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.888 10.875 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.283 13.319 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.659 13.448 -6.022 1.00 0.00 H new ATOM 398 N ALA A 24 -3.564 12.494 -7.610 1.00 0.00 N ATOM 399 CA ALA A 24 -2.498 13.098 -8.462 1.00 0.00 C ATOM 400 C ALA A 24 -2.533 14.624 -8.344 1.00 0.00 C ATOM 401 O ALA A 24 -1.528 15.291 -8.490 1.00 0.00 O ATOM 402 CB ALA A 24 -2.837 12.662 -9.887 1.00 0.00 C ATOM 0 H ALA A 24 -4.420 12.238 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.499 12.778 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.097 13.067 -10.577 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.830 11.574 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.826 13.034 -10.156 1.00 0.00 H new ATOM 408 N ARG A 25 -3.684 15.179 -8.079 1.00 0.00 N ATOM 409 CA ARG A 25 -3.792 16.658 -7.951 1.00 0.00 C ATOM 410 C ARG A 25 -2.950 17.151 -6.771 1.00 0.00 C ATOM 411 O ARG A 25 -2.977 16.585 -5.697 1.00 0.00 O ATOM 412 CB ARG A 25 -5.277 16.922 -7.700 1.00 0.00 C ATOM 413 CG ARG A 25 -5.672 18.263 -8.326 1.00 0.00 C ATOM 414 CD ARG A 25 -7.126 18.195 -8.799 1.00 0.00 C ATOM 415 NE ARG A 25 -7.582 19.615 -8.853 1.00 0.00 N ATOM 416 CZ ARG A 25 -7.770 20.303 -7.752 1.00 0.00 C ATOM 417 NH1 ARG A 25 -7.555 19.766 -6.576 1.00 0.00 N ATOM 418 NH2 ARG A 25 -8.178 21.540 -7.829 1.00 0.00 N ATOM 0 H ARG A 25 -4.557 14.669 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.428 17.179 -8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.877 16.119 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.479 16.935 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.552 19.066 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.015 18.492 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.201 17.719 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.737 17.610 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.750 20.056 -9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.237 18.799 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.706 20.315 -5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.348 21.965 -8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.327 22.082 -6.978 1.00 0.00 H new ATOM 432 N ARG A 26 -2.200 18.203 -6.963 1.00 0.00 N ATOM 433 CA ARG A 26 -1.357 18.729 -5.851 1.00 0.00 C ATOM 434 C ARG A 26 -1.596 20.231 -5.668 1.00 0.00 C ATOM 435 O ARG A 26 -0.700 21.036 -5.834 1.00 0.00 O ATOM 436 CB ARG A 26 0.085 18.466 -6.290 1.00 0.00 C ATOM 437 CG ARG A 26 0.513 17.070 -5.831 1.00 0.00 C ATOM 438 CD ARG A 26 1.914 17.141 -5.220 1.00 0.00 C ATOM 439 NE ARG A 26 2.742 16.219 -6.052 1.00 0.00 N ATOM 440 CZ ARG A 26 3.175 16.585 -7.236 1.00 0.00 C ATOM 441 NH1 ARG A 26 2.892 17.768 -7.723 1.00 0.00 N ATOM 442 NH2 ARG A 26 3.898 15.755 -7.940 1.00 0.00 N ATOM 0 H ARG A 26 -2.135 18.720 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.588 18.253 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.166 18.545 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.749 19.219 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.196 16.683 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.507 16.380 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.306 18.158 -5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.906 16.831 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 26 2.975 15.292 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.327 18.421 -7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.237 18.036 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.121 14.832 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.239 16.030 -8.861 1.00 0.00 H new ATOM 456 N LYS A 27 -2.796 20.614 -5.327 1.00 0.00 N ATOM 457 CA LYS A 27 -3.089 22.063 -5.134 1.00 0.00 C ATOM 458 C LYS A 27 -2.694 22.500 -3.720 1.00 0.00 C ATOM 459 O LYS A 27 -1.958 23.450 -3.536 1.00 0.00 O ATOM 460 CB LYS A 27 -4.599 22.189 -5.332 1.00 0.00 C ATOM 461 CG LYS A 27 -5.021 23.648 -5.147 1.00 0.00 C ATOM 462 CD LYS A 27 -4.972 24.367 -6.496 1.00 0.00 C ATOM 463 CE LYS A 27 -5.971 23.719 -7.457 1.00 0.00 C ATOM 464 NZ LYS A 27 -6.950 24.794 -7.777 1.00 0.00 N ATOM 0 H LYS A 27 -3.586 19.987 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.532 22.694 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.875 21.843 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.124 21.555 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.028 23.697 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.359 24.142 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.209 25.423 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.966 24.315 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.475 23.356 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.462 22.862 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.668 24.425 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.412 25.115 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.455 25.594 -8.220 1.00 0.00 H new ATOM 478 N ARG A 28 -3.175 21.815 -2.720 1.00 0.00 N ATOM 479 CA ARG A 28 -2.824 22.192 -1.320 1.00 0.00 C ATOM 480 C ARG A 28 -2.855 20.957 -0.415 1.00 0.00 C ATOM 481 O ARG A 28 -2.991 21.061 0.788 1.00 0.00 O ATOM 482 CB ARG A 28 -3.899 23.194 -0.897 1.00 0.00 C ATOM 483 CG ARG A 28 -3.407 24.618 -1.169 1.00 0.00 C ATOM 484 CD ARG A 28 -4.084 25.588 -0.198 1.00 0.00 C ATOM 485 NE ARG A 28 -2.986 26.474 0.285 1.00 0.00 N ATOM 486 CZ ARG A 28 -3.233 27.466 1.108 1.00 0.00 C ATOM 487 NH1 ARG A 28 -4.450 27.707 1.527 1.00 0.00 N ATOM 488 NH2 ARG A 28 -2.250 28.222 1.515 1.00 0.00 N ATOM 0 H ARG A 28 -3.796 21.011 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.822 22.614 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.822 23.006 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.127 23.073 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.324 24.668 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.631 24.901 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.866 26.162 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.555 25.056 0.628 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.030 26.307 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.223 27.120 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.625 28.482 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.299 28.040 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.432 28.995 2.155 1.00 0.00 H new ATOM 502 N ASP A 29 -2.732 19.789 -0.983 1.00 0.00 N ATOM 503 CA ASP A 29 -2.755 18.550 -0.154 1.00 0.00 C ATOM 504 C ASP A 29 -1.390 17.860 -0.196 1.00 0.00 C ATOM 505 O ASP A 29 -0.654 17.858 0.769 1.00 0.00 O ATOM 506 CB ASP A 29 -3.822 17.662 -0.795 1.00 0.00 C ATOM 507 CG ASP A 29 -5.192 18.002 -0.206 1.00 0.00 C ATOM 508 OD1 ASP A 29 -5.734 19.031 -0.574 1.00 0.00 O ATOM 509 OD2 ASP A 29 -5.674 17.227 0.605 1.00 0.00 O ATOM 0 H ASP A 29 -2.617 19.639 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.974 18.760 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.832 17.810 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.590 16.612 -0.619 1.00 0.00 H new ATOM 514 N GLY A 30 -1.048 17.272 -1.311 1.00 0.00 N ATOM 515 CA GLY A 30 0.267 16.581 -1.414 1.00 0.00 C ATOM 516 C GLY A 30 0.341 15.458 -0.376 1.00 0.00 C ATOM 517 O GLY A 30 1.409 15.012 -0.006 1.00 0.00 O ATOM 0 H GLY A 30 -1.622 17.241 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.397 16.172 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.077 17.293 -1.253 1.00 0.00 H new ATOM 521 N LYS A 31 -0.786 14.995 0.096 1.00 0.00 N ATOM 522 CA LYS A 31 -0.777 13.900 1.109 1.00 0.00 C ATOM 523 C LYS A 31 -1.693 12.761 0.658 1.00 0.00 C ATOM 524 O LYS A 31 -2.254 12.794 -0.419 1.00 0.00 O ATOM 525 CB LYS A 31 -1.302 14.539 2.395 1.00 0.00 C ATOM 526 CG LYS A 31 -2.723 15.058 2.171 1.00 0.00 C ATOM 527 CD LYS A 31 -3.226 15.723 3.453 1.00 0.00 C ATOM 528 CE LYS A 31 -3.916 14.679 4.333 1.00 0.00 C ATOM 529 NZ LYS A 31 -5.365 15.011 4.258 1.00 0.00 N ATOM 0 H LYS A 31 -1.711 15.327 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 31 0.216 13.473 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.295 13.809 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.649 15.358 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.736 15.772 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.383 14.237 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.393 16.175 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.922 16.526 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.723 13.669 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.553 14.726 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.906 14.338 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.519 15.976 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.684 14.952 3.270 1.00 0.00 H new ATOM 543 N TYR A 32 -1.849 11.751 1.469 1.00 0.00 N ATOM 544 CA TYR A 32 -2.731 10.607 1.078 1.00 0.00 C ATOM 545 C TYR A 32 -3.945 10.522 1.999 1.00 0.00 C ATOM 546 O TYR A 32 -4.090 11.282 2.935 1.00 0.00 O ATOM 547 CB TYR A 32 -1.878 9.337 1.222 1.00 0.00 C ATOM 548 CG TYR A 32 -1.147 9.350 2.548 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.773 8.861 3.701 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.155 9.856 2.619 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.093 8.879 4.926 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.834 9.873 3.842 1.00 0.00 C ATOM 553 CZ TYR A 32 0.211 9.385 4.995 1.00 0.00 C ATOM 554 OH TYR A 32 0.881 9.405 6.203 1.00 0.00 O ATOM 0 H TYR A 32 -1.407 11.665 2.384 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.102 10.732 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.513 8.453 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.161 9.276 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.778 8.471 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.636 10.234 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.574 8.503 5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.840 10.263 3.896 1.00 0.00 H new ATOM 0 HH TYR A 32 1.775 9.786 6.075 1.00 0.00 H new ATOM 564 N ILE A 33 -4.815 9.590 1.735 1.00 0.00 N ATOM 565 CA ILE A 33 -6.026 9.431 2.585 1.00 0.00 C ATOM 566 C ILE A 33 -5.717 8.481 3.748 1.00 0.00 C ATOM 567 O ILE A 33 -6.089 8.725 4.879 1.00 0.00 O ATOM 568 CB ILE A 33 -7.076 8.836 1.641 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.511 9.900 0.631 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.294 8.373 2.439 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.362 9.351 -0.787 1.00 0.00 C ATOM 0 H ILE A 33 -4.739 8.928 0.963 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.368 10.365 3.030 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.643 7.983 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.546 10.188 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.905 10.798 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.035 7.952 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.990 7.614 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.727 9.222 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.672 10.110 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.320 9.085 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.987 8.466 -0.902 1.00 0.00 H new ATOM 583 N GLU A 34 -5.034 7.402 3.475 1.00 0.00 N ATOM 584 CA GLU A 34 -4.694 6.438 4.561 1.00 0.00 C ATOM 585 C GLU A 34 -3.532 5.542 4.120 1.00 0.00 C ATOM 586 O GLU A 34 -3.147 5.534 2.967 1.00 0.00 O ATOM 587 CB GLU A 34 -5.961 5.611 4.773 1.00 0.00 C ATOM 588 CG GLU A 34 -6.091 5.246 6.253 1.00 0.00 C ATOM 589 CD GLU A 34 -7.258 4.275 6.440 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.400 3.385 5.618 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.988 4.438 7.404 1.00 0.00 O ATOM 0 H GLU A 34 -4.697 7.146 2.547 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.382 6.939 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.835 6.176 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.923 4.706 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.166 4.792 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.254 6.145 6.847 1.00 0.00 H new ATOM 598 N LYS A 35 -2.971 4.789 5.025 1.00 0.00 N ATOM 599 CA LYS A 35 -1.836 3.898 4.650 1.00 0.00 C ATOM 600 C LYS A 35 -2.312 2.447 4.544 1.00 0.00 C ATOM 601 O LYS A 35 -2.661 1.827 5.529 1.00 0.00 O ATOM 602 CB LYS A 35 -0.825 4.043 5.786 1.00 0.00 C ATOM 603 CG LYS A 35 -0.366 5.499 5.882 1.00 0.00 C ATOM 604 CD LYS A 35 -0.208 5.885 7.354 1.00 0.00 C ATOM 605 CE LYS A 35 -1.518 6.485 7.870 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.114 7.386 8.983 1.00 0.00 N ATOM 0 H LYS A 35 -3.248 4.752 6.006 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.408 4.164 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.274 3.730 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.031 3.392 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.580 5.629 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.091 6.153 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.060 5.008 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.603 6.605 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.037 7.035 7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.199 5.708 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.959 7.836 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.628 6.833 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.472 8.119 8.620 1.00 0.00 H new ATOM 620 N ILE A 36 -2.328 1.902 3.359 1.00 0.00 N ATOM 621 CA ILE A 36 -2.784 0.484 3.200 1.00 0.00 C ATOM 622 C ILE A 36 -1.603 -0.451 3.045 1.00 0.00 C ATOM 623 O ILE A 36 -1.641 -1.587 3.479 1.00 0.00 O ATOM 624 CB ILE A 36 -3.626 0.467 1.931 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.761 0.890 0.732 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.797 1.429 2.097 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.593 0.868 -0.543 1.00 0.00 C ATOM 0 H ILE A 36 -2.048 2.370 2.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.344 0.149 4.073 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.007 -0.539 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.360 1.890 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.909 0.217 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.405 1.422 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.406 1.118 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.419 2.436 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.973 1.169 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.973 -0.140 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.430 1.559 -0.443 1.00 0.00 H new ATOM 639 N GLY A 37 -0.569 -0.007 2.406 1.00 0.00 N ATOM 640 CA GLY A 37 0.584 -0.906 2.204 1.00 0.00 C ATOM 641 C GLY A 37 1.876 -0.272 2.685 1.00 0.00 C ATOM 642 O GLY A 37 1.969 0.921 2.876 1.00 0.00 O ATOM 0 H GLY A 37 -0.472 0.931 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.415 -1.841 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.672 -1.155 1.146 1.00 0.00 H new ATOM 646 N TYR A 38 2.890 -1.075 2.817 1.00 0.00 N ATOM 647 CA TYR A 38 4.231 -0.564 3.221 1.00 0.00 C ATOM 648 C TYR A 38 5.274 -1.207 2.302 1.00 0.00 C ATOM 649 O TYR A 38 5.154 -2.364 1.947 1.00 0.00 O ATOM 650 CB TYR A 38 4.434 -1.006 4.676 1.00 0.00 C ATOM 651 CG TYR A 38 5.880 -0.798 5.081 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.814 -1.823 4.885 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.285 0.416 5.649 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.151 -1.635 5.256 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.622 0.605 6.020 1.00 0.00 C ATOM 656 CZ TYR A 38 8.554 -0.421 5.825 1.00 0.00 C ATOM 657 OH TYR A 38 9.873 -0.235 6.191 1.00 0.00 O ATOM 0 H TYR A 38 2.848 -2.082 2.660 1.00 0.00 H new ATOM 0 HA TYR A 38 4.320 0.519 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.777 -0.436 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.163 -2.056 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.503 -2.760 4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.566 1.207 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.871 -2.426 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.934 1.542 6.457 1.00 0.00 H new ATOM 0 HH TYR A 38 9.984 0.662 6.569 1.00 0.00 H new ATOM 667 N TYR A 39 6.291 -0.489 1.909 1.00 0.00 N ATOM 668 CA TYR A 39 7.306 -1.113 1.013 1.00 0.00 C ATOM 669 C TYR A 39 8.713 -0.656 1.417 1.00 0.00 C ATOM 670 O TYR A 39 8.948 0.515 1.643 1.00 0.00 O ATOM 671 CB TYR A 39 6.977 -0.613 -0.396 1.00 0.00 C ATOM 672 CG TYR A 39 8.017 -1.125 -1.375 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.517 -2.430 -1.258 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.478 -0.294 -2.402 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.477 -2.899 -2.165 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.434 -0.766 -3.311 1.00 0.00 C ATOM 677 CZ TYR A 39 9.933 -2.067 -3.192 1.00 0.00 C ATOM 678 OH TYR A 39 10.871 -2.530 -4.093 1.00 0.00 O ATOM 0 H TYR A 39 6.462 0.484 2.163 1.00 0.00 H new ATOM 0 HA TYR A 39 7.283 -2.201 1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.985 -0.955 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.955 0.477 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.162 -3.075 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.097 0.712 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.864 -3.903 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.786 -0.124 -4.105 1.00 0.00 H new ATOM 0 HH TYR A 39 11.077 -1.825 -4.742 1.00 0.00 H new ATOM 688 N ASP A 40 9.654 -1.555 1.507 1.00 0.00 N ATOM 689 CA ASP A 40 11.036 -1.140 1.891 1.00 0.00 C ATOM 690 C ASP A 40 12.078 -1.912 1.068 1.00 0.00 C ATOM 691 O ASP A 40 12.594 -2.916 1.514 1.00 0.00 O ATOM 692 CB ASP A 40 11.154 -1.489 3.375 1.00 0.00 C ATOM 693 CG ASP A 40 12.542 -1.094 3.884 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.023 -0.048 3.484 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.099 -1.846 4.667 1.00 0.00 O ATOM 0 H ASP A 40 9.529 -2.552 1.333 1.00 0.00 H new ATOM 0 HA ASP A 40 11.214 -0.081 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.384 -0.968 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.991 -2.557 3.522 1.00 0.00 H new ATOM 700 N PRO A 41 12.363 -1.414 -0.108 1.00 0.00 N ATOM 701 CA PRO A 41 13.357 -2.083 -0.985 1.00 0.00 C ATOM 702 C PRO A 41 14.765 -1.960 -0.397 1.00 0.00 C ATOM 703 O PRO A 41 15.620 -1.291 -0.943 1.00 0.00 O ATOM 704 CB PRO A 41 13.246 -1.321 -2.302 1.00 0.00 C ATOM 705 CG PRO A 41 12.699 0.017 -1.927 1.00 0.00 C ATOM 706 CD PRO A 41 11.812 -0.200 -0.728 1.00 0.00 C ATOM 0 HA PRO A 41 13.173 -3.151 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.217 -1.229 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.587 -1.835 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.505 0.713 -1.692 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.135 0.450 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.845 0.649 -0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.770 -0.335 -1.019 1.00 0.00 H new ATOM 714 N ARG A 42 15.012 -2.598 0.713 1.00 0.00 N ATOM 715 CA ARG A 42 16.357 -2.518 1.336 1.00 0.00 C ATOM 716 C ARG A 42 17.258 -3.639 0.807 1.00 0.00 C ATOM 717 O ARG A 42 16.792 -4.609 0.243 1.00 0.00 O ATOM 718 CB ARG A 42 16.106 -2.688 2.835 1.00 0.00 C ATOM 719 CG ARG A 42 16.543 -1.422 3.579 1.00 0.00 C ATOM 720 CD ARG A 42 17.600 -1.784 4.625 1.00 0.00 C ATOM 721 NE ARG A 42 16.838 -2.413 5.742 1.00 0.00 N ATOM 722 CZ ARG A 42 16.158 -1.681 6.593 1.00 0.00 C ATOM 723 NH1 ARG A 42 16.128 -0.375 6.486 1.00 0.00 N ATOM 724 NH2 ARG A 42 15.500 -2.261 7.559 1.00 0.00 N ATOM 0 H ARG A 42 14.336 -3.173 1.215 1.00 0.00 H new ATOM 0 HA ARG A 42 16.862 -1.579 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.049 -2.882 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.657 -3.550 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.947 -0.695 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.684 -0.956 4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 42 18.341 -2.471 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 42 18.139 -0.899 4.964 1.00 0.00 H new ATOM 0 HE ARG A 42 16.845 -3.428 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.638 0.087 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.595 0.179 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.516 -3.277 7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.969 -1.699 8.224 1.00 0.00 H new ATOM 738 N LYS A 43 18.545 -3.515 0.987 1.00 0.00 N ATOM 739 CA LYS A 43 19.474 -4.574 0.497 1.00 0.00 C ATOM 740 C LYS A 43 19.794 -5.559 1.625 1.00 0.00 C ATOM 741 O LYS A 43 20.865 -6.129 1.679 1.00 0.00 O ATOM 742 CB LYS A 43 20.736 -3.827 0.065 1.00 0.00 C ATOM 743 CG LYS A 43 21.181 -4.327 -1.311 1.00 0.00 C ATOM 744 CD LYS A 43 22.353 -5.299 -1.148 1.00 0.00 C ATOM 745 CE LYS A 43 23.223 -5.262 -2.406 1.00 0.00 C ATOM 746 NZ LYS A 43 24.191 -6.381 -2.239 1.00 0.00 N ATOM 0 H LYS A 43 18.994 -2.726 1.452 1.00 0.00 H new ATOM 0 HA LYS A 43 19.044 -5.154 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.542 -2.755 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.531 -3.983 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.351 -4.823 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.477 -3.485 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.946 -5.028 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.981 -6.310 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.621 -5.392 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.738 -4.306 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 24.823 -6.420 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.754 -6.227 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 23.673 -7.279 -2.158 1.00 0.00 H new ATOM 760 N THR A 44 18.874 -5.759 2.530 1.00 0.00 N ATOM 761 CA THR A 44 19.126 -6.703 3.656 1.00 0.00 C ATOM 762 C THR A 44 18.418 -8.036 3.398 1.00 0.00 C ATOM 763 O THR A 44 19.035 -9.021 3.047 1.00 0.00 O ATOM 764 CB THR A 44 18.542 -6.013 4.887 1.00 0.00 C ATOM 765 OG1 THR A 44 17.330 -5.363 4.530 1.00 0.00 O ATOM 766 CG2 THR A 44 19.539 -4.981 5.417 1.00 0.00 C ATOM 0 H THR A 44 17.959 -5.309 2.538 1.00 0.00 H new ATOM 0 HA THR A 44 20.186 -6.927 3.779 1.00 0.00 H new ATOM 0 HB THR A 44 18.345 -6.754 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.672 -5.482 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.121 -4.489 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.469 -5.480 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.738 -4.237 4.645 1.00 0.00 H new ATOM 774 N THR A 45 17.124 -8.074 3.571 1.00 0.00 N ATOM 775 CA THR A 45 16.377 -9.343 3.335 1.00 0.00 C ATOM 776 C THR A 45 15.190 -9.090 2.397 1.00 0.00 C ATOM 777 O THR A 45 14.760 -7.964 2.238 1.00 0.00 O ATOM 778 CB THR A 45 15.887 -9.777 4.719 1.00 0.00 C ATOM 779 OG1 THR A 45 15.599 -8.627 5.502 1.00 0.00 O ATOM 780 CG2 THR A 45 16.973 -10.608 5.407 1.00 0.00 C ATOM 0 H THR A 45 16.553 -7.282 3.865 1.00 0.00 H new ATOM 0 HA THR A 45 16.996 -10.107 2.865 1.00 0.00 H new ATOM 0 HB THR A 45 14.984 -10.378 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.284 -8.905 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.625 -10.917 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.191 -11.491 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.877 -10.009 5.513 1.00 0.00 H new ATOM 788 N PRO A 46 14.696 -10.149 1.800 1.00 0.00 N ATOM 789 CA PRO A 46 13.549 -10.022 0.867 1.00 0.00 C ATOM 790 C PRO A 46 12.249 -9.749 1.634 1.00 0.00 C ATOM 791 O PRO A 46 11.231 -9.436 1.049 1.00 0.00 O ATOM 792 CB PRO A 46 13.497 -11.382 0.176 1.00 0.00 C ATOM 793 CG PRO A 46 14.144 -12.332 1.133 1.00 0.00 C ATOM 794 CD PRO A 46 15.148 -11.542 1.932 1.00 0.00 C ATOM 0 HA PRO A 46 13.662 -9.195 0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.469 -11.676 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.027 -11.360 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.400 -12.784 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.633 -13.145 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.165 -11.858 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.158 -11.672 1.543 1.00 0.00 H new ATOM 802 N ASP A 47 12.270 -9.864 2.935 1.00 0.00 N ATOM 803 CA ASP A 47 11.030 -9.608 3.723 1.00 0.00 C ATOM 804 C ASP A 47 10.848 -8.106 3.954 1.00 0.00 C ATOM 805 O ASP A 47 11.055 -7.606 5.041 1.00 0.00 O ATOM 806 CB ASP A 47 11.248 -10.334 5.051 1.00 0.00 C ATOM 807 CG ASP A 47 11.404 -11.836 4.799 1.00 0.00 C ATOM 808 OD1 ASP A 47 11.625 -12.209 3.658 1.00 0.00 O ATOM 809 OD2 ASP A 47 11.300 -12.590 5.753 1.00 0.00 O ATOM 0 H ASP A 47 13.089 -10.123 3.484 1.00 0.00 H new ATOM 0 HA ASP A 47 10.135 -9.959 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.137 -9.945 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.405 -10.153 5.718 1.00 0.00 H new ATOM 814 N TRP A 48 10.461 -7.382 2.939 1.00 0.00 N ATOM 815 CA TRP A 48 10.262 -5.909 3.103 1.00 0.00 C ATOM 816 C TRP A 48 8.833 -5.503 2.732 1.00 0.00 C ATOM 817 O TRP A 48 8.454 -4.357 2.866 1.00 0.00 O ATOM 818 CB TRP A 48 11.260 -5.232 2.149 1.00 0.00 C ATOM 819 CG TRP A 48 11.276 -5.915 0.810 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.303 -6.654 0.335 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.254 -5.926 -0.232 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.974 -7.129 -0.921 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.722 -6.709 -1.315 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.979 -5.347 -0.342 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.954 -6.907 -2.463 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.203 -5.544 -1.497 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.690 -6.323 -2.554 1.00 0.00 C ATOM 0 H TRP A 48 10.274 -7.744 2.004 1.00 0.00 H new ATOM 0 HA TRP A 48 10.423 -5.611 4.139 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.993 -4.183 2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.259 -5.256 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.231 -6.843 0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.584 -7.719 -1.487 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.592 -4.746 0.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.335 -7.508 -3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.225 -5.092 -1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.088 -6.472 -3.438 1.00 0.00 H new ATOM 838 N LEU A 49 8.039 -6.419 2.251 1.00 0.00 N ATOM 839 CA LEU A 49 6.646 -6.060 1.860 1.00 0.00 C ATOM 840 C LEU A 49 5.678 -6.267 3.026 1.00 0.00 C ATOM 841 O LEU A 49 5.532 -7.358 3.539 1.00 0.00 O ATOM 842 CB LEU A 49 6.299 -7.029 0.734 1.00 0.00 C ATOM 843 CG LEU A 49 4.973 -6.620 0.094 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.919 -7.156 -1.332 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.816 -7.204 0.907 1.00 0.00 C ATOM 0 H LEU A 49 8.293 -7.397 2.112 1.00 0.00 H new ATOM 0 HA LEU A 49 6.569 -5.014 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.091 -7.030 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.228 -8.044 1.124 1.00 0.00 H new ATOM 0 HG LEU A 49 4.890 -5.533 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.975 -6.867 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.746 -6.742 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.997 -8.243 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.869 -6.914 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.894 -8.291 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.860 -6.824 1.928 1.00 0.00 H new ATOM 857 N LYS A 50 4.998 -5.233 3.429 1.00 0.00 N ATOM 858 CA LYS A 50 4.017 -5.377 4.545 1.00 0.00 C ATOM 859 C LYS A 50 2.730 -4.631 4.187 1.00 0.00 C ATOM 860 O LYS A 50 2.565 -3.472 4.511 1.00 0.00 O ATOM 861 CB LYS A 50 4.692 -4.744 5.762 1.00 0.00 C ATOM 862 CG LYS A 50 3.809 -4.946 6.994 1.00 0.00 C ATOM 863 CD LYS A 50 4.678 -5.359 8.184 1.00 0.00 C ATOM 864 CE LYS A 50 5.020 -4.123 9.021 1.00 0.00 C ATOM 865 NZ LYS A 50 6.507 -4.039 8.995 1.00 0.00 N ATOM 0 H LYS A 50 5.076 -4.295 3.037 1.00 0.00 H new ATOM 0 HA LYS A 50 3.749 -6.416 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.671 -5.195 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.856 -3.680 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.272 -4.026 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.059 -5.711 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.151 -6.091 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.592 -5.837 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.567 -3.225 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.648 -4.222 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.818 -3.215 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.911 -4.905 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.832 -3.939 8.012 1.00 0.00 H new ATOM 879 N VAL A 51 1.820 -5.275 3.506 1.00 0.00 N ATOM 880 CA VAL A 51 0.564 -4.573 3.122 1.00 0.00 C ATOM 881 C VAL A 51 -0.647 -5.151 3.850 1.00 0.00 C ATOM 882 O VAL A 51 -0.678 -6.297 4.253 1.00 0.00 O ATOM 883 CB VAL A 51 0.434 -4.769 1.585 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.018 -5.064 1.165 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.861 -3.494 0.874 1.00 0.00 C ATOM 0 H VAL A 51 1.891 -6.246 3.202 1.00 0.00 H new ATOM 0 HA VAL A 51 0.600 -3.519 3.396 1.00 0.00 H new ATOM 0 HB VAL A 51 1.067 -5.614 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.065 -5.194 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.361 -5.975 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.658 -4.232 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.770 -3.630 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.222 -2.670 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.897 -3.267 1.125 1.00 0.00 H new ATOM 895 N ASP A 52 -1.668 -4.358 3.937 1.00 0.00 N ATOM 896 CA ASP A 52 -2.934 -4.817 4.538 1.00 0.00 C ATOM 897 C ASP A 52 -3.898 -5.015 3.376 1.00 0.00 C ATOM 898 O ASP A 52 -4.860 -4.288 3.233 1.00 0.00 O ATOM 899 CB ASP A 52 -3.395 -3.679 5.447 1.00 0.00 C ATOM 900 CG ASP A 52 -4.162 -4.255 6.638 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.526 -4.830 7.506 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.373 -4.113 6.661 1.00 0.00 O ATOM 0 H ASP A 52 -1.676 -3.392 3.609 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.858 -5.740 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.535 -3.108 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.030 -2.990 4.891 1.00 0.00 H new ATOM 907 N VAL A 53 -3.588 -5.964 2.513 1.00 0.00 N ATOM 908 CA VAL A 53 -4.418 -6.233 1.284 1.00 0.00 C ATOM 909 C VAL A 53 -5.905 -5.933 1.524 1.00 0.00 C ATOM 910 O VAL A 53 -6.593 -5.485 0.632 1.00 0.00 O ATOM 911 CB VAL A 53 -4.158 -7.720 0.885 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.816 -8.587 2.100 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.387 -8.319 0.185 1.00 0.00 C ATOM 0 H VAL A 53 -2.778 -6.576 2.612 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.131 -5.572 0.466 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.306 -7.716 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.643 -9.614 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.917 -8.201 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.644 -8.564 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.183 -9.355 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.244 -8.280 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.607 -7.747 -0.716 1.00 0.00 H new ATOM 923 N GLU A 54 -6.402 -6.142 2.710 1.00 0.00 N ATOM 924 CA GLU A 54 -7.830 -5.820 2.957 1.00 0.00 C ATOM 925 C GLU A 54 -8.051 -4.329 2.712 1.00 0.00 C ATOM 926 O GLU A 54 -8.911 -3.934 1.948 1.00 0.00 O ATOM 927 CB GLU A 54 -8.090 -6.188 4.418 1.00 0.00 C ATOM 928 CG GLU A 54 -7.682 -7.647 4.656 1.00 0.00 C ATOM 929 CD GLU A 54 -6.639 -7.736 5.777 1.00 0.00 C ATOM 930 OE1 GLU A 54 -6.178 -6.699 6.225 1.00 0.00 O ATOM 931 OE2 GLU A 54 -6.318 -8.845 6.168 1.00 0.00 O ATOM 0 H GLU A 54 -5.888 -6.517 3.508 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.508 -6.363 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.525 -5.529 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.144 -6.050 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.559 -8.238 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.275 -8.072 3.738 1.00 0.00 H new ATOM 938 N ARG A 55 -7.266 -3.496 3.333 1.00 0.00 N ATOM 939 CA ARG A 55 -7.412 -2.039 3.113 1.00 0.00 C ATOM 940 C ARG A 55 -6.822 -1.681 1.748 1.00 0.00 C ATOM 941 O ARG A 55 -7.337 -0.847 1.035 1.00 0.00 O ATOM 942 CB ARG A 55 -6.625 -1.390 4.248 1.00 0.00 C ATOM 943 CG ARG A 55 -7.602 -0.794 5.264 1.00 0.00 C ATOM 944 CD ARG A 55 -7.463 0.726 5.261 1.00 0.00 C ATOM 945 NE ARG A 55 -6.068 0.974 5.731 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.806 1.193 7.000 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.741 1.105 7.913 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.582 1.470 7.361 1.00 0.00 N ATOM 0 H ARG A 55 -6.529 -3.766 3.984 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.449 -1.702 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.985 -2.129 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.972 -0.611 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.624 -1.078 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.396 -1.188 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.625 1.138 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.193 1.193 5.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.304 0.973 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.695 0.862 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.515 1.279 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.842 1.515 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.366 1.642 8.343 1.00 0.00 H new ATOM 962 N ALA A 56 -5.767 -2.338 1.353 1.00 0.00 N ATOM 963 CA ALA A 56 -5.190 -2.059 0.019 1.00 0.00 C ATOM 964 C ALA A 56 -6.217 -2.504 -1.030 1.00 0.00 C ATOM 965 O ALA A 56 -6.219 -2.041 -2.155 1.00 0.00 O ATOM 966 CB ALA A 56 -3.893 -2.879 -0.039 1.00 0.00 C ATOM 0 H ALA A 56 -5.284 -3.053 1.898 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.967 -1.008 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.407 -2.723 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.225 -2.560 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.126 -3.937 0.083 1.00 0.00 H new ATOM 972 N ARG A 57 -7.120 -3.385 -0.650 1.00 0.00 N ATOM 973 CA ARG A 57 -8.165 -3.837 -1.600 1.00 0.00 C ATOM 974 C ARG A 57 -9.361 -2.873 -1.557 1.00 0.00 C ATOM 975 O ARG A 57 -10.123 -2.771 -2.498 1.00 0.00 O ATOM 976 CB ARG A 57 -8.571 -5.232 -1.118 1.00 0.00 C ATOM 977 CG ARG A 57 -9.755 -5.737 -1.944 1.00 0.00 C ATOM 978 CD ARG A 57 -9.417 -7.105 -2.542 1.00 0.00 C ATOM 979 NE ARG A 57 -10.028 -8.097 -1.610 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.230 -9.339 -1.985 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.896 -9.742 -3.187 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.768 -10.183 -1.148 1.00 0.00 N ATOM 0 H ARG A 57 -7.169 -3.804 0.279 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.810 -3.859 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.730 -5.919 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.839 -5.199 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.643 -5.812 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.986 -5.028 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.823 -7.207 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.339 -7.247 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.292 -7.806 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.473 -9.088 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.059 -10.710 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.028 -9.876 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.929 -11.150 -1.431 1.00 0.00 H new ATOM 996 N TYR A 58 -9.511 -2.144 -0.480 1.00 0.00 N ATOM 997 CA TYR A 58 -10.626 -1.163 -0.376 1.00 0.00 C ATOM 998 C TYR A 58 -10.435 -0.149 -1.484 1.00 0.00 C ATOM 999 O TYR A 58 -11.330 0.197 -2.233 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.416 -0.509 0.998 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.023 0.884 1.060 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.244 1.146 0.430 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.357 1.911 1.750 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.803 2.427 0.487 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.918 3.193 1.805 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.141 3.451 1.176 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.693 4.713 1.231 1.00 0.00 O ATOM 0 H TYR A 58 -8.902 -2.189 0.337 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.623 -1.593 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.863 -1.135 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.349 -0.450 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.756 0.358 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.414 1.712 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.746 2.627 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.406 3.984 2.334 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.107 5.304 1.748 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.242 0.321 -1.557 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.880 1.326 -2.570 1.00 0.00 C ATOM 1019 C TRP A 59 -9.033 0.729 -3.952 1.00 0.00 C ATOM 1020 O TRP A 59 -9.748 1.241 -4.786 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.446 1.671 -2.223 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.518 2.387 -0.926 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.052 1.951 0.262 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.174 3.639 -0.677 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.347 2.904 1.227 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.050 3.966 0.688 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.845 4.519 -1.522 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.589 5.146 1.202 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.392 5.703 -1.019 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.264 6.021 0.342 1.00 0.00 C ATOM 0 H TRP A 59 -8.478 0.044 -0.940 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.508 2.217 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.834 0.773 -2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.995 2.297 -2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.536 1.018 0.434 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.079 2.830 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.943 4.286 -2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.487 5.382 2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.916 6.377 -1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.685 6.939 0.725 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.416 -0.386 -4.183 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.587 -1.055 -5.501 1.00 0.00 C ATOM 1043 C LEU A 60 -10.091 -1.214 -5.767 1.00 0.00 C ATOM 1044 O LEU A 60 -10.530 -1.310 -6.895 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.913 -2.419 -5.354 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.472 -2.325 -5.852 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.661 -3.495 -5.293 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.459 -2.377 -7.383 1.00 0.00 C ATOM 0 H LEU A 60 -7.803 -0.865 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.153 -0.495 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.930 -2.735 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.459 -3.171 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.031 -1.387 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.633 -3.428 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.672 -3.457 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.100 -4.435 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.432 -2.310 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.900 -3.316 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.037 -1.542 -7.780 1.00 0.00 H new ATOM 1060 N SER A 61 -10.880 -1.222 -4.716 1.00 0.00 N ATOM 1061 CA SER A 61 -12.350 -1.353 -4.885 1.00 0.00 C ATOM 1062 C SER A 61 -12.960 -0.005 -5.295 1.00 0.00 C ATOM 1063 O SER A 61 -14.028 0.046 -5.875 1.00 0.00 O ATOM 1064 CB SER A 61 -12.872 -1.787 -3.517 1.00 0.00 C ATOM 1065 OG SER A 61 -13.405 -3.102 -3.614 1.00 0.00 O ATOM 0 H SER A 61 -10.561 -1.143 -3.750 1.00 0.00 H new ATOM 0 HA SER A 61 -12.613 -2.069 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.067 -1.762 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.640 -1.095 -3.172 1.00 0.00 H new ATOM 0 HG SER A 61 -13.740 -3.385 -2.737 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.299 1.090 -5.006 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.860 2.411 -5.394 1.00 0.00 C ATOM 1073 C VAL A 62 -12.201 2.890 -6.690 1.00 0.00 C ATOM 1074 O VAL A 62 -12.013 4.069 -6.912 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.559 3.373 -4.225 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.926 2.724 -2.887 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.073 3.757 -4.200 1.00 0.00 C ATOM 0 H VAL A 62 -11.402 1.121 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.933 2.360 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.160 4.270 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.707 3.417 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.988 2.481 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.344 1.812 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.886 4.435 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.467 2.859 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.809 4.250 -5.136 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.854 1.970 -7.540 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.208 2.342 -8.832 1.00 0.00 C ATOM 1089 C GLY A 63 -9.797 2.879 -8.573 1.00 0.00 C ATOM 1090 O GLY A 63 -9.274 3.665 -9.339 1.00 0.00 O ATOM 0 H GLY A 63 -11.989 0.969 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.161 1.473 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.806 3.096 -9.344 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.173 2.463 -7.504 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.799 2.954 -7.208 1.00 0.00 C ATOM 1096 C ALA A 64 -6.818 2.445 -8.268 1.00 0.00 C ATOM 1097 O ALA A 64 -6.841 1.290 -8.644 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.457 2.377 -5.835 1.00 0.00 C ATOM 0 H ALA A 64 -9.556 1.805 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.738 4.042 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.455 2.695 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.178 2.735 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.493 1.288 -5.878 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.958 3.298 -8.756 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.983 2.862 -9.794 1.00 0.00 C ATOM 1106 C GLN A 65 -3.577 2.734 -9.191 1.00 0.00 C ATOM 1107 O GLN A 65 -2.967 3.725 -8.839 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.012 3.968 -10.849 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.760 3.472 -12.088 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.260 3.433 -11.794 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.738 2.542 -11.120 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.029 4.370 -12.276 1.00 0.00 N ATOM 0 H GLN A 65 -5.889 4.278 -8.480 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.236 1.887 -10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.501 4.856 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.996 4.257 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.561 4.130 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.407 2.479 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.628 5.118 -12.842 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.031 4.355 -12.087 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.099 1.516 -9.089 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.747 1.285 -8.530 1.00 0.00 C ATOM 1123 C PRO A 66 -0.685 1.560 -9.602 1.00 0.00 C ATOM 1124 O PRO A 66 -0.739 1.022 -10.690 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.764 -0.194 -8.155 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.791 -0.820 -9.049 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.758 0.260 -9.471 1.00 0.00 C ATOM 0 HA PRO A 66 -1.511 1.931 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.784 -0.648 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.022 -0.330 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.315 -1.268 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.316 -1.619 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.950 0.223 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.720 0.149 -8.971 1.00 0.00 H new ATOM 1135 N THR A 67 0.278 2.390 -9.309 1.00 0.00 N ATOM 1136 CA THR A 67 1.334 2.689 -10.323 1.00 0.00 C ATOM 1137 C THR A 67 2.047 1.398 -10.739 1.00 0.00 C ATOM 1138 O THR A 67 1.711 0.319 -10.288 1.00 0.00 O ATOM 1139 CB THR A 67 2.306 3.637 -9.619 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.335 4.012 -10.522 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.920 2.936 -8.407 1.00 0.00 C ATOM 0 H THR A 67 0.381 2.873 -8.417 1.00 0.00 H new ATOM 0 HA THR A 67 0.922 3.131 -11.230 1.00 0.00 H new ATOM 0 HB THR A 67 1.770 4.526 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.958 4.621 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.612 3.613 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.129 2.648 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.457 2.046 -8.735 1.00 0.00 H new ATOM 1149 N ASP A 68 3.035 1.500 -11.593 1.00 0.00 N ATOM 1150 CA ASP A 68 3.775 0.278 -12.038 1.00 0.00 C ATOM 1151 C ASP A 68 4.746 -0.193 -10.947 1.00 0.00 C ATOM 1152 O ASP A 68 5.919 -0.400 -11.191 1.00 0.00 O ATOM 1153 CB ASP A 68 4.545 0.718 -13.283 1.00 0.00 C ATOM 1154 CG ASP A 68 4.700 -0.470 -14.234 1.00 0.00 C ATOM 1155 OD1 ASP A 68 5.167 -1.505 -13.785 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.349 -0.325 -15.393 1.00 0.00 O ATOM 0 H ASP A 68 3.361 2.376 -12.001 1.00 0.00 H new ATOM 0 HA ASP A 68 3.104 -0.556 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.017 1.530 -13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.525 1.102 -13.000 1.00 0.00 H new ATOM 1161 N THR A 69 4.261 -0.364 -9.748 1.00 0.00 N ATOM 1162 CA THR A 69 5.124 -0.820 -8.622 1.00 0.00 C ATOM 1163 C THR A 69 4.223 -1.259 -7.475 1.00 0.00 C ATOM 1164 O THR A 69 4.263 -2.387 -7.026 1.00 0.00 O ATOM 1165 CB THR A 69 5.929 0.396 -8.184 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.119 1.286 -9.275 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.287 -0.050 -7.641 1.00 0.00 C ATOM 0 H THR A 69 3.285 -0.204 -9.497 1.00 0.00 H new ATOM 0 HA THR A 69 5.774 -1.646 -8.910 1.00 0.00 H new ATOM 0 HB THR A 69 5.377 0.915 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.637 2.063 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.859 0.824 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.138 -0.710 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.833 -0.582 -8.420 1.00 0.00 H new ATOM 1175 N ALA A 70 3.385 -0.366 -7.021 1.00 0.00 N ATOM 1176 CA ALA A 70 2.451 -0.708 -5.930 1.00 0.00 C ATOM 1177 C ALA A 70 1.479 -1.756 -6.449 1.00 0.00 C ATOM 1178 O ALA A 70 0.918 -2.528 -5.697 1.00 0.00 O ATOM 1179 CB ALA A 70 1.725 0.595 -5.598 1.00 0.00 C ATOM 0 H ALA A 70 3.313 0.591 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 70 2.944 -1.113 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.012 0.419 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.450 1.345 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.195 0.951 -6.481 1.00 0.00 H new ATOM 1185 N ARG A 71 1.300 -1.810 -7.744 1.00 0.00 N ATOM 1186 CA ARG A 71 0.399 -2.827 -8.306 1.00 0.00 C ATOM 1187 C ARG A 71 1.060 -4.178 -8.102 1.00 0.00 C ATOM 1188 O ARG A 71 0.429 -5.150 -7.737 1.00 0.00 O ATOM 1189 CB ARG A 71 0.279 -2.501 -9.795 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.729 -3.452 -10.446 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.972 -3.022 -11.894 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.071 -4.297 -12.663 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.009 -5.034 -12.882 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.164 -4.683 -12.416 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.122 -6.136 -13.573 1.00 0.00 N ATOM 0 H ARG A 71 1.742 -1.191 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.587 -2.842 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.042 -1.468 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.251 -2.597 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.352 -4.474 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.666 -3.442 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.886 -2.435 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.156 -2.400 -12.263 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.976 -4.599 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.261 -3.825 -11.874 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.980 -5.268 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.032 -6.418 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.699 -6.715 -13.748 1.00 0.00 H new ATOM 1209 N ARG A 72 2.350 -4.233 -8.309 1.00 0.00 N ATOM 1210 CA ARG A 72 3.065 -5.511 -8.104 1.00 0.00 C ATOM 1211 C ARG A 72 3.025 -5.859 -6.621 1.00 0.00 C ATOM 1212 O ARG A 72 2.811 -6.993 -6.240 1.00 0.00 O ATOM 1213 CB ARG A 72 4.500 -5.263 -8.573 1.00 0.00 C ATOM 1214 CG ARG A 72 4.832 -6.222 -9.717 1.00 0.00 C ATOM 1215 CD ARG A 72 6.320 -6.114 -10.061 1.00 0.00 C ATOM 1216 NE ARG A 72 6.370 -6.130 -11.552 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.499 -6.346 -12.186 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.612 -6.556 -11.528 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.513 -6.354 -13.491 1.00 0.00 N ATOM 0 H ARG A 72 2.930 -3.449 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 72 2.620 -6.341 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.613 -4.231 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.195 -5.410 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.588 -7.245 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.228 -5.983 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.753 -5.197 -9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.885 -6.944 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 72 5.516 -5.971 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.610 -6.553 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.481 -6.722 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.651 -6.193 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.386 -6.521 -13.991 1.00 0.00 H new ATOM 1233 N LEU A 73 3.203 -4.879 -5.779 1.00 0.00 N ATOM 1234 CA LEU A 73 3.146 -5.136 -4.323 1.00 0.00 C ATOM 1235 C LEU A 73 1.728 -5.555 -3.976 1.00 0.00 C ATOM 1236 O LEU A 73 1.505 -6.365 -3.103 1.00 0.00 O ATOM 1237 CB LEU A 73 3.515 -3.812 -3.652 1.00 0.00 C ATOM 1238 CG LEU A 73 4.889 -3.355 -4.145 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.043 -1.851 -3.915 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.980 -4.100 -3.375 1.00 0.00 C ATOM 0 H LEU A 73 3.386 -3.911 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 73 3.822 -5.926 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.765 -3.055 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.527 -3.932 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 73 4.981 -3.570 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.023 -1.528 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.266 -1.318 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.950 -1.634 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.959 -3.775 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.886 -3.885 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.873 -5.172 -3.539 1.00 0.00 H new ATOM 1252 N LEU A 74 0.767 -5.051 -4.699 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.626 -5.480 -4.453 1.00 0.00 C ATOM 1254 C LEU A 74 -0.752 -6.909 -4.980 1.00 0.00 C ATOM 1255 O LEU A 74 -1.561 -7.693 -4.526 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.504 -4.514 -5.253 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.792 -3.269 -4.412 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.305 -2.145 -5.314 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.854 -3.601 -3.361 1.00 0.00 C ATOM 0 H LEU A 74 0.890 -4.365 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.917 -5.466 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.003 -4.232 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.438 -5.001 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.875 -2.946 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.509 -1.260 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.551 -1.908 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.221 -2.466 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.061 -2.715 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.769 -3.924 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.490 -4.400 -2.715 1.00 0.00 H new ATOM 1271 N ARG A 75 0.086 -7.252 -5.928 1.00 0.00 N ATOM 1272 CA ARG A 75 0.081 -8.618 -6.491 1.00 0.00 C ATOM 1273 C ARG A 75 0.908 -9.523 -5.588 1.00 0.00 C ATOM 1274 O ARG A 75 0.684 -10.714 -5.500 1.00 0.00 O ATOM 1275 CB ARG A 75 0.755 -8.478 -7.858 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.151 -9.047 -8.949 1.00 0.00 C ATOM 1277 CD ARG A 75 0.708 -9.653 -10.060 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.263 -10.060 -11.117 1.00 0.00 N ATOM 1279 CZ ARG A 75 -1.002 -11.134 -10.974 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.909 -11.878 -9.901 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.842 -11.467 -11.916 1.00 0.00 N ATOM 0 H ARG A 75 0.780 -6.626 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.919 -9.045 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.968 -7.429 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.710 -9.003 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.811 -9.807 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.788 -8.261 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.428 -8.929 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.278 -10.508 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.353 -9.496 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.255 -11.626 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.491 -12.710 -9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.920 -10.893 -12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.420 -12.301 -11.812 1.00 0.00 H new ATOM 1295 N GLN A 76 1.878 -8.959 -4.923 1.00 0.00 N ATOM 1296 CA GLN A 76 2.738 -9.761 -4.036 1.00 0.00 C ATOM 1297 C GLN A 76 2.119 -9.875 -2.654 1.00 0.00 C ATOM 1298 O GLN A 76 2.173 -10.906 -2.014 1.00 0.00 O ATOM 1299 CB GLN A 76 4.043 -8.985 -4.011 1.00 0.00 C ATOM 1300 CG GLN A 76 5.199 -9.927 -3.700 1.00 0.00 C ATOM 1301 CD GLN A 76 5.551 -10.724 -4.958 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.664 -11.933 -4.915 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.728 -10.090 -6.086 1.00 0.00 N ATOM 0 H GLN A 76 2.107 -7.966 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 76 2.876 -10.787 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.206 -8.500 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.993 -8.196 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.065 -9.359 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.925 -10.604 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.633 -9.075 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.961 -10.610 -6.932 1.00 0.00 H new ATOM 1312 N ALA A 77 1.507 -8.831 -2.207 1.00 0.00 N ATOM 1313 CA ALA A 77 0.845 -8.869 -0.880 1.00 0.00 C ATOM 1314 C ALA A 77 -0.337 -9.850 -0.917 1.00 0.00 C ATOM 1315 O ALA A 77 -0.911 -10.183 0.102 1.00 0.00 O ATOM 1316 CB ALA A 77 0.351 -7.442 -0.642 1.00 0.00 C ATOM 0 H ALA A 77 1.433 -7.943 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 77 1.516 -9.202 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.152 -7.387 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.199 -6.758 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.347 -7.162 -1.431 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.710 -10.313 -2.088 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.854 -11.264 -2.191 1.00 0.00 C ATOM 1324 C GLY A 78 -3.169 -10.481 -2.175 1.00 0.00 C ATOM 1325 O GLY A 78 -4.034 -10.727 -1.360 1.00 0.00 O ATOM 0 H GLY A 78 -0.268 -10.071 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.776 -11.846 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.829 -11.971 -1.362 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.323 -9.529 -3.060 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.577 -8.729 -3.075 1.00 0.00 C ATOM 1331 C VAL A 79 -5.506 -9.155 -4.215 1.00 0.00 C ATOM 1332 O VAL A 79 -6.623 -9.578 -3.990 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.132 -7.286 -3.266 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.352 -6.364 -3.234 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.165 -6.890 -2.147 1.00 0.00 C ATOM 0 H VAL A 79 -2.635 -9.274 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.143 -8.870 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.629 -7.191 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.031 -5.331 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.038 -6.640 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.857 -6.463 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.849 -5.856 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.664 -6.989 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.292 -7.543 -2.172 1.00 0.00 H new ATOM 1345 N PHE A 80 -5.066 -9.035 -5.439 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.945 -9.422 -6.588 1.00 0.00 C ATOM 1347 C PHE A 80 -6.541 -10.815 -6.361 1.00 0.00 C ATOM 1348 O PHE A 80 -6.177 -11.514 -5.436 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.041 -9.427 -7.825 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.296 -8.117 -7.931 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -4.994 -6.910 -8.062 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -2.901 -8.115 -7.897 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -4.289 -5.704 -8.159 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -2.198 -6.911 -7.992 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.889 -5.708 -8.123 1.00 0.00 C ATOM 0 H PHE A 80 -4.142 -8.688 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.779 -8.730 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.332 -10.253 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.640 -9.587 -8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.074 -6.909 -8.088 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.363 -9.046 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.824 -4.772 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.118 -6.913 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.345 -4.778 -8.197 1.00 0.00 H new ATOM 1365 N ARG A 81 -7.456 -11.223 -7.198 1.00 0.00 N ATOM 1366 CA ARG A 81 -8.074 -12.568 -7.027 1.00 0.00 C ATOM 1367 C ARG A 81 -7.019 -13.662 -7.211 1.00 0.00 C ATOM 1368 O ARG A 81 -6.473 -13.836 -8.283 1.00 0.00 O ATOM 1369 CB ARG A 81 -9.135 -12.659 -8.125 1.00 0.00 C ATOM 1370 CG ARG A 81 -10.381 -11.879 -7.697 1.00 0.00 C ATOM 1371 CD ARG A 81 -10.798 -10.926 -8.820 1.00 0.00 C ATOM 1372 NE ARG A 81 -10.922 -9.591 -8.168 1.00 0.00 N ATOM 1373 CZ ARG A 81 -11.444 -8.575 -8.813 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -11.868 -8.705 -10.046 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -11.543 -7.417 -8.218 1.00 0.00 N ATOM 0 H ARG A 81 -7.802 -10.684 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.502 -12.702 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.743 -12.255 -9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -9.392 -13.702 -8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.194 -12.568 -7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.176 -11.317 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.056 -10.908 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.742 -11.235 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.597 -9.466 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.795 -9.606 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.271 -7.905 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.216 -7.307 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.948 -6.622 -8.713 1.00 0.00 H new ATOM 1389 N GLN A 82 -6.728 -14.401 -6.175 1.00 0.00 N ATOM 1390 CA GLN A 82 -5.706 -15.482 -6.294 1.00 0.00 C ATOM 1391 C GLN A 82 -6.354 -16.772 -6.807 1.00 0.00 C ATOM 1392 O GLN A 82 -7.004 -17.487 -6.070 1.00 0.00 O ATOM 1393 CB GLN A 82 -5.168 -15.678 -4.874 1.00 0.00 C ATOM 1394 CG GLN A 82 -3.653 -15.885 -4.927 1.00 0.00 C ATOM 1395 CD GLN A 82 -3.208 -16.716 -3.722 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -3.774 -16.606 -2.652 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -2.211 -17.548 -3.849 1.00 0.00 N ATOM 0 H GLN A 82 -7.152 -14.304 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.914 -15.225 -6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.406 -14.809 -4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.647 -16.539 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.377 -16.390 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.144 -14.921 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.735 -17.641 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.907 -18.106 -3.051 1.00 0.00 H new ATOM 1406 N GLU A 83 -6.180 -17.076 -8.066 1.00 0.00 N ATOM 1407 CA GLU A 83 -6.784 -18.321 -8.623 1.00 0.00 C ATOM 1408 C GLU A 83 -5.887 -19.525 -8.318 1.00 0.00 C ATOM 1409 O GLU A 83 -5.500 -20.265 -9.202 1.00 0.00 O ATOM 1410 CB GLU A 83 -6.872 -18.081 -10.134 1.00 0.00 C ATOM 1411 CG GLU A 83 -5.464 -17.922 -10.716 1.00 0.00 C ATOM 1412 CD GLU A 83 -5.153 -19.104 -11.638 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -6.019 -19.467 -12.416 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -4.054 -19.626 -11.548 1.00 0.00 O ATOM 0 H GLU A 83 -5.647 -16.517 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.761 -18.536 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.382 -18.915 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.462 -17.187 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.392 -16.986 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.730 -17.873 -9.911 1.00 0.00 H new ATOM 1421 N ALA A 84 -5.553 -19.727 -7.072 1.00 0.00 N ATOM 1422 CA ALA A 84 -4.680 -20.880 -6.709 1.00 0.00 C ATOM 1423 C ALA A 84 -5.517 -22.009 -6.102 1.00 0.00 C ATOM 1424 O ALA A 84 -6.544 -21.777 -5.497 1.00 0.00 O ATOM 1425 CB ALA A 84 -3.701 -20.326 -5.675 1.00 0.00 C ATOM 0 H ALA A 84 -5.847 -19.143 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.167 -21.296 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.022 -21.117 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.127 -19.511 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.254 -19.954 -4.813 1.00 0.00 H new ATOM 1431 N ARG A 85 -5.084 -23.230 -6.255 1.00 0.00 N ATOM 1432 CA ARG A 85 -5.856 -24.370 -5.682 1.00 0.00 C ATOM 1433 C ARG A 85 -5.288 -24.755 -4.312 1.00 0.00 C ATOM 1434 O ARG A 85 -5.909 -24.541 -3.291 1.00 0.00 O ATOM 1435 CB ARG A 85 -5.675 -25.510 -6.684 1.00 0.00 C ATOM 1436 CG ARG A 85 -6.374 -25.151 -7.997 1.00 0.00 C ATOM 1437 CD ARG A 85 -6.266 -26.322 -8.974 1.00 0.00 C ATOM 1438 NE ARG A 85 -4.837 -26.336 -9.402 1.00 0.00 N ATOM 1439 CZ ARG A 85 -4.465 -26.981 -10.482 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -5.337 -27.629 -11.215 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -3.207 -26.978 -10.832 1.00 0.00 N ATOM 0 H ARG A 85 -4.231 -23.488 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.908 -24.127 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.614 -25.688 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.090 -26.433 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.422 -24.916 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.920 -24.260 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.544 -27.262 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.932 -26.188 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.140 -25.838 -8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.322 -27.637 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.031 -28.125 -12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.522 -26.477 -10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.910 -27.477 -11.670 1.00 0.00 H new ATOM 1455 N GLU A 86 -4.111 -25.322 -4.281 1.00 0.00 N ATOM 1456 CA GLU A 86 -3.508 -25.718 -2.978 1.00 0.00 C ATOM 1457 C GLU A 86 -3.091 -24.477 -2.184 1.00 0.00 C ATOM 1458 O GLU A 86 -3.381 -23.359 -2.562 1.00 0.00 O ATOM 1459 CB GLU A 86 -2.282 -26.556 -3.345 1.00 0.00 C ATOM 1460 CG GLU A 86 -2.669 -28.036 -3.388 1.00 0.00 C ATOM 1461 CD GLU A 86 -2.609 -28.623 -1.976 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -2.616 -27.850 -1.032 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -2.561 -29.837 -1.863 1.00 0.00 O ATOM 0 H GLU A 86 -3.542 -25.527 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.209 -26.272 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.891 -26.243 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.488 -26.398 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.673 -28.148 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.993 -28.580 -4.048 1.00 0.00 H new ATOM 1470 N GLY A 87 -2.408 -24.665 -1.087 1.00 0.00 N ATOM 1471 CA GLY A 87 -1.971 -23.496 -0.271 1.00 0.00 C ATOM 1472 C GLY A 87 -1.078 -23.976 0.876 1.00 0.00 C ATOM 1473 O GLY A 87 0.114 -24.145 0.718 1.00 0.00 O ATOM 0 H GLY A 87 -2.134 -25.577 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.428 -22.786 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.840 -22.972 0.126 1.00 0.00 H new ATOM 1477 N ALA A 88 -1.648 -24.199 2.029 1.00 0.00 N ATOM 1478 CA ALA A 88 -0.831 -24.669 3.186 1.00 0.00 C ATOM 1479 C ALA A 88 -0.723 -26.196 3.169 1.00 0.00 C ATOM 1480 O ALA A 88 -1.338 -26.805 2.308 1.00 0.00 O ATOM 1481 CB ALA A 88 -1.591 -24.201 4.426 1.00 0.00 C ATOM 1482 OXT ALA A 88 -0.028 -26.731 4.017 1.00 0.00 O ATOM 0 H ALA A 88 -2.642 -24.077 2.220 1.00 0.00 H new ATOM 0 HA ALA A 88 0.186 -24.277 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.052 -24.510 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.678 -23.115 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.587 -24.644 4.431 1.00 0.00 H new TER 1488 ALA A 88