USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 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 39 HIS : no HD1:sc= -0.549 K(o=1.4,f=-2.3!) USER MOD Set 1.2: A 88 PNS S44 : rot 41:sc= 1.99 USER MOD Set 2.1: A 27 SER OG : rot 52:sc= -0.238 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -132:sc= 1.06 (180deg=0) USER MOD Set 2.3: A 64 ASN : amide:sc= -2.99! X(o=-2.2!,f=-2.4) USER MOD Set 3.1: A 23 THR OG1 : rot -26:sc= 0.914 USER MOD Set 3.2: A 26 THR OG1 : rot -168:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.08 (180deg=0.606) USER MOD Single : A 3 THR OG1 : rot -170:sc= 0.0852 USER MOD Single : A 8 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 91:sc= 0.151 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.533 F(o=0,f=0.53) USER MOD Single : A 38 SER OG : rot -130:sc= 0.254 USER MOD Single : A 40 MET CE :methyl -170:sc= -0.0244 (180deg=-0.17) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.528 F(o=-2,f=-0.53) USER MOD Single : A 45 SER OG : rot 86:sc= 0.672 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.0997 F(o=-0.46,f=0.1) USER MOD Single : A 50 TYR OH : rot 150:sc= -0.0293 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.284 K(o=-0.28,f=-4.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= 0.0952 (180deg=-0.263) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0.663 (180deg=0.4) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.419 (180deg=-0.844) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.0058) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 88 PNS O33 : rot -29:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.704 2.113 8.562 1.00 0.00 N ATOM 2 CA MET A 1 -10.609 2.391 7.604 1.00 0.00 C ATOM 3 C MET A 1 -10.513 3.912 7.351 1.00 0.00 C ATOM 4 O MET A 1 -11.267 4.452 6.533 1.00 0.00 O ATOM 5 CB MET A 1 -10.823 1.607 6.282 1.00 0.00 C ATOM 6 CG MET A 1 -10.766 0.077 6.428 1.00 0.00 C ATOM 7 SD MET A 1 -12.060 -0.581 7.504 1.00 0.00 S ATOM 8 CE MET A 1 -11.685 -2.334 7.477 1.00 0.00 C ATOM 0 H1 MET A 1 -11.936 1.099 8.539 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.402 2.378 9.521 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.544 2.667 8.299 1.00 0.00 H new ATOM 0 HA MET A 1 -9.665 2.053 8.031 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.791 1.883 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.065 1.919 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.854 -0.380 5.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.792 -0.208 6.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.403 -2.869 8.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.745 -2.703 6.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.679 -2.497 7.863 1.00 0.00 H new ATOM 20 N PRO A 2 -9.598 4.634 8.077 1.00 0.00 N ATOM 21 CA PRO A 2 -9.468 6.094 8.003 1.00 0.00 C ATOM 22 C PRO A 2 -8.312 6.538 7.083 1.00 0.00 C ATOM 23 O PRO A 2 -7.606 7.500 7.401 1.00 0.00 O ATOM 24 CB PRO A 2 -9.179 6.412 9.487 1.00 0.00 C ATOM 25 CG PRO A 2 -8.285 5.283 9.944 1.00 0.00 C ATOM 26 CD PRO A 2 -8.595 4.089 9.038 1.00 0.00 C ATOM 0 HA PRO A 2 -10.333 6.605 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.687 7.378 9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.098 6.453 10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.235 5.565 9.868 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.475 5.037 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.702 3.731 8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.997 3.249 9.604 1.00 0.00 H new ATOM 34 N THR A 3 -8.151 5.850 5.936 1.00 0.00 N ATOM 35 CA THR A 3 -7.004 6.066 5.031 1.00 0.00 C ATOM 36 C THR A 3 -7.000 7.489 4.441 1.00 0.00 C ATOM 37 O THR A 3 -6.220 8.309 4.904 1.00 0.00 O ATOM 38 CB THR A 3 -6.944 4.989 3.906 1.00 0.00 C ATOM 39 OG1 THR A 3 -8.185 4.948 3.178 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.639 3.600 4.484 1.00 0.00 C ATOM 0 H THR A 3 -8.804 5.136 5.613 1.00 0.00 H new ATOM 0 HA THR A 3 -6.102 5.960 5.634 1.00 0.00 H new ATOM 0 HB THR A 3 -6.139 5.267 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.191 4.168 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.603 2.869 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.677 3.622 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.420 3.321 5.191 1.00 0.00 H new ATOM 48 N LEU A 4 -7.905 7.798 3.471 1.00 0.00 N ATOM 49 CA LEU A 4 -7.998 9.145 2.848 1.00 0.00 C ATOM 50 C LEU A 4 -8.293 10.230 3.899 1.00 0.00 C ATOM 51 O LEU A 4 -7.844 11.365 3.757 1.00 0.00 O ATOM 52 CB LEU A 4 -9.077 9.190 1.728 1.00 0.00 C ATOM 53 CG LEU A 4 -8.805 8.317 0.458 1.00 0.00 C ATOM 54 CD1 LEU A 4 -9.913 8.498 -0.603 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.416 8.619 -0.146 1.00 0.00 C ATOM 0 H LEU A 4 -8.581 7.128 3.104 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.027 9.348 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.028 8.878 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.195 10.226 1.410 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.815 7.275 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.691 7.877 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.873 8.201 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.958 9.544 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.259 7.996 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.364 9.670 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.644 8.405 0.593 1.00 0.00 H new ATOM 67 N ASP A 5 -9.057 9.850 4.946 1.00 0.00 N ATOM 68 CA ASP A 5 -9.340 10.709 6.123 1.00 0.00 C ATOM 69 C ASP A 5 -8.040 11.245 6.761 1.00 0.00 C ATOM 70 O ASP A 5 -7.920 12.439 7.051 1.00 0.00 O ATOM 71 CB ASP A 5 -10.157 9.931 7.188 1.00 0.00 C ATOM 72 CG ASP A 5 -11.492 9.396 6.647 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.509 8.274 6.089 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.527 10.095 6.758 1.00 0.00 O ATOM 0 H ASP A 5 -9.499 8.932 5.001 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.925 11.557 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.561 9.097 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.352 10.585 8.038 1.00 0.00 H new ATOM 79 N ALA A 6 -7.069 10.336 6.945 1.00 0.00 N ATOM 80 CA ALA A 6 -5.771 10.639 7.582 1.00 0.00 C ATOM 81 C ALA A 6 -4.682 10.981 6.546 1.00 0.00 C ATOM 82 O ALA A 6 -3.619 11.467 6.925 1.00 0.00 O ATOM 83 CB ALA A 6 -5.324 9.455 8.449 1.00 0.00 C ATOM 0 H ALA A 6 -7.160 9.362 6.655 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.910 11.519 8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.366 9.686 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.069 9.269 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.219 8.567 7.826 1.00 0.00 H new ATOM 89 N LEU A 7 -4.949 10.715 5.250 1.00 0.00 N ATOM 90 CA LEU A 7 -4.015 11.045 4.151 1.00 0.00 C ATOM 91 C LEU A 7 -4.145 12.526 3.778 1.00 0.00 C ATOM 92 O LEU A 7 -3.141 13.178 3.557 1.00 0.00 O ATOM 93 CB LEU A 7 -4.252 10.154 2.886 1.00 0.00 C ATOM 94 CG LEU A 7 -3.790 8.656 2.966 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.117 7.894 1.660 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.292 8.548 3.309 1.00 0.00 C ATOM 0 H LEU A 7 -5.811 10.269 4.937 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.006 10.843 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.318 10.167 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.741 10.620 2.044 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.351 8.186 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.784 6.860 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.193 7.915 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.605 8.369 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.004 7.498 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.705 9.050 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.105 9.020 4.274 1.00 0.00 H new ATOM 108 N THR A 8 -5.385 13.047 3.737 1.00 0.00 N ATOM 109 CA THR A 8 -5.667 14.447 3.332 1.00 0.00 C ATOM 110 C THR A 8 -4.815 15.504 4.123 1.00 0.00 C ATOM 111 O THR A 8 -4.191 16.349 3.481 1.00 0.00 O ATOM 112 CB THR A 8 -7.202 14.769 3.403 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.929 13.882 2.531 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.524 16.222 3.012 1.00 0.00 C ATOM 0 H THR A 8 -6.221 12.516 3.982 1.00 0.00 H new ATOM 0 HA THR A 8 -5.356 14.530 2.291 1.00 0.00 H new ATOM 0 HB THR A 8 -7.505 14.627 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.931 12.979 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.599 16.387 3.079 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.009 16.904 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.192 16.406 1.990 1.00 0.00 H new ATOM 122 N PRO A 9 -4.731 15.462 5.506 1.00 0.00 N ATOM 123 CA PRO A 9 -3.810 16.355 6.271 1.00 0.00 C ATOM 124 C PRO A 9 -2.313 16.161 5.890 1.00 0.00 C ATOM 125 O PRO A 9 -1.549 17.125 5.929 1.00 0.00 O ATOM 126 CB PRO A 9 -4.077 15.983 7.759 1.00 0.00 C ATOM 127 CG PRO A 9 -4.716 14.631 7.703 1.00 0.00 C ATOM 128 CD PRO A 9 -5.537 14.625 6.436 1.00 0.00 C ATOM 0 HA PRO A 9 -4.000 17.406 6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.151 15.960 8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.732 16.711 8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.964 13.842 7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.343 14.457 8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.676 13.615 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.530 15.044 6.597 1.00 0.00 H new ATOM 136 N ILE A 10 -1.919 14.918 5.510 1.00 0.00 N ATOM 137 CA ILE A 10 -0.514 14.586 5.138 1.00 0.00 C ATOM 138 C ILE A 10 -0.141 15.232 3.786 1.00 0.00 C ATOM 139 O ILE A 10 0.909 15.846 3.660 1.00 0.00 O ATOM 140 CB ILE A 10 -0.268 13.029 5.044 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.667 12.312 6.371 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.198 12.698 4.643 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.094 12.754 7.606 1.00 0.00 C ATOM 0 H ILE A 10 -2.557 14.124 5.452 1.00 0.00 H new ATOM 0 HA ILE A 10 0.117 14.985 5.932 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.913 12.648 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.731 12.472 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.523 11.239 6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.325 11.617 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.417 13.138 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.880 13.107 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.260 12.194 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.158 12.567 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.068 13.819 7.772 1.00 0.00 H new ATOM 155 N PHE A 11 -1.031 15.082 2.789 1.00 0.00 N ATOM 156 CA PHE A 11 -0.828 15.610 1.424 1.00 0.00 C ATOM 157 C PHE A 11 -0.872 17.144 1.444 1.00 0.00 C ATOM 158 O PHE A 11 -0.025 17.802 0.857 1.00 0.00 O ATOM 159 CB PHE A 11 -1.899 15.053 0.443 1.00 0.00 C ATOM 160 CG PHE A 11 -1.739 13.574 0.076 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.669 12.588 1.054 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.675 13.174 -1.250 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.544 11.258 0.722 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.554 11.845 -1.577 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.491 10.888 -0.595 1.00 0.00 C ATOM 0 H PHE A 11 -1.916 14.589 2.906 1.00 0.00 H new ATOM 0 HA PHE A 11 0.151 15.284 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.884 15.197 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.872 15.643 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.714 12.871 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.721 13.915 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.488 10.509 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.508 11.551 -2.615 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.400 9.845 -0.861 1.00 0.00 H new ATOM 175 N ARG A 12 -1.851 17.696 2.158 1.00 0.00 N ATOM 176 CA ARG A 12 -2.005 19.151 2.317 1.00 0.00 C ATOM 177 C ARG A 12 -0.886 19.755 3.186 1.00 0.00 C ATOM 178 O ARG A 12 -0.725 20.969 3.214 1.00 0.00 O ATOM 179 CB ARG A 12 -3.402 19.493 2.876 1.00 0.00 C ATOM 180 CG ARG A 12 -4.550 19.161 1.899 1.00 0.00 C ATOM 181 CD ARG A 12 -5.928 19.606 2.409 1.00 0.00 C ATOM 182 NE ARG A 12 -6.953 19.438 1.367 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.278 19.482 1.559 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.787 19.649 2.774 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.087 19.362 0.520 1.00 0.00 N ATOM 0 H ARG A 12 -2.563 17.152 2.645 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.916 19.603 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.557 18.947 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.438 20.555 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.352 19.641 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.566 18.086 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.200 19.024 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.886 20.650 2.718 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.626 19.274 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.167 19.746 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.798 19.680 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.700 19.237 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.098 19.394 0.654 1.00 0.00 H new ATOM 199 N GLN A 13 -0.164 18.907 3.947 1.00 0.00 N ATOM 200 CA GLN A 13 1.068 19.313 4.657 1.00 0.00 C ATOM 201 C GLN A 13 2.247 19.396 3.669 1.00 0.00 C ATOM 202 O GLN A 13 2.874 20.454 3.525 1.00 0.00 O ATOM 203 CB GLN A 13 1.363 18.305 5.809 1.00 0.00 C ATOM 204 CG GLN A 13 2.571 18.640 6.705 1.00 0.00 C ATOM 205 CD GLN A 13 2.727 17.647 7.859 1.00 0.00 C ATOM 206 OE1 GLN A 13 3.425 16.637 7.752 1.00 0.00 O ATOM 207 NE2 GLN A 13 2.042 17.907 8.967 1.00 0.00 N ATOM 0 H GLN A 13 -0.415 17.928 4.087 1.00 0.00 H new ATOM 0 HA GLN A 13 0.929 20.302 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.477 18.234 6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.522 17.320 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.479 18.640 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.455 19.647 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.472 18.751 9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.086 17.263 9.757 1.00 0.00 H new ATOM 216 N VAL A 14 2.497 18.268 2.974 1.00 0.00 N ATOM 217 CA VAL A 14 3.607 18.090 2.013 1.00 0.00 C ATOM 218 C VAL A 14 3.558 19.136 0.871 1.00 0.00 C ATOM 219 O VAL A 14 4.554 19.812 0.591 1.00 0.00 O ATOM 220 CB VAL A 14 3.584 16.622 1.422 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.551 16.463 0.227 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.903 15.573 2.525 1.00 0.00 C ATOM 0 H VAL A 14 1.918 17.433 3.067 1.00 0.00 H new ATOM 0 HA VAL A 14 4.541 18.245 2.553 1.00 0.00 H new ATOM 0 HB VAL A 14 2.574 16.443 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.502 15.440 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.265 17.153 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.568 16.683 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.881 14.573 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.893 15.768 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.159 15.642 3.319 1.00 0.00 H new ATOM 232 N PHE A 15 2.393 19.257 0.235 1.00 0.00 N ATOM 233 CA PHE A 15 2.184 20.145 -0.924 1.00 0.00 C ATOM 234 C PHE A 15 1.768 21.557 -0.483 1.00 0.00 C ATOM 235 O PHE A 15 1.988 22.520 -1.230 1.00 0.00 O ATOM 236 CB PHE A 15 1.097 19.556 -1.860 1.00 0.00 C ATOM 237 CG PHE A 15 1.437 18.173 -2.419 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.427 18.024 -3.377 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.771 17.026 -1.981 1.00 0.00 C ATOM 240 CE1 PHE A 15 2.740 16.785 -3.880 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.085 15.784 -2.485 1.00 0.00 C ATOM 242 CZ PHE A 15 2.074 15.666 -3.434 1.00 0.00 C ATOM 0 H PHE A 15 1.557 18.740 0.507 1.00 0.00 H new ATOM 0 HA PHE A 15 3.131 20.217 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.156 19.494 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.937 20.243 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.959 18.894 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.004 17.115 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.512 16.688 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.558 14.908 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.328 14.694 -3.830 1.00 0.00 H new ATOM 252 N ASP A 16 1.179 21.659 0.732 1.00 0.00 N ATOM 253 CA ASP A 16 0.684 22.926 1.309 1.00 0.00 C ATOM 254 C ASP A 16 -0.393 23.561 0.394 1.00 0.00 C ATOM 255 O ASP A 16 -0.251 24.690 -0.096 1.00 0.00 O ATOM 256 CB ASP A 16 1.867 23.887 1.625 1.00 0.00 C ATOM 257 CG ASP A 16 1.446 25.157 2.388 1.00 0.00 C ATOM 258 OD1 ASP A 16 0.992 25.035 3.545 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.552 26.278 1.842 1.00 0.00 O ATOM 0 H ASP A 16 1.034 20.855 1.343 1.00 0.00 H new ATOM 0 HA ASP A 16 0.195 22.718 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.612 23.351 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.347 24.178 0.691 1.00 0.00 H new ATOM 264 N ASP A 17 -1.479 22.800 0.156 1.00 0.00 N ATOM 265 CA ASP A 17 -2.555 23.216 -0.765 1.00 0.00 C ATOM 266 C ASP A 17 -3.882 22.512 -0.423 1.00 0.00 C ATOM 267 O ASP A 17 -3.972 21.285 -0.485 1.00 0.00 O ATOM 268 CB ASP A 17 -2.159 22.937 -2.243 1.00 0.00 C ATOM 269 CG ASP A 17 -3.247 23.363 -3.252 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.744 24.513 -3.158 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.633 22.555 -4.115 1.00 0.00 O ATOM 0 H ASP A 17 -1.635 21.890 0.591 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.698 24.290 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.233 23.466 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.956 21.873 -2.364 1.00 0.00 H new ATOM 276 N ASP A 18 -4.912 23.322 -0.096 1.00 0.00 N ATOM 277 CA ASP A 18 -6.272 22.846 0.250 1.00 0.00 C ATOM 278 C ASP A 18 -7.059 22.418 -1.004 1.00 0.00 C ATOM 279 O ASP A 18 -7.977 21.596 -0.910 1.00 0.00 O ATOM 280 CB ASP A 18 -7.032 23.966 1.030 1.00 0.00 C ATOM 281 CG ASP A 18 -8.494 23.609 1.386 1.00 0.00 C ATOM 282 OD1 ASP A 18 -8.716 22.767 2.286 1.00 0.00 O ATOM 283 OD2 ASP A 18 -9.433 24.161 0.759 1.00 0.00 O ATOM 0 H ASP A 18 -4.823 24.338 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.180 21.965 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.489 24.186 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.027 24.877 0.432 1.00 0.00 H new ATOM 288 N SER A 19 -6.676 22.958 -2.182 1.00 0.00 N ATOM 289 CA SER A 19 -7.365 22.667 -3.462 1.00 0.00 C ATOM 290 C SER A 19 -7.256 21.161 -3.829 1.00 0.00 C ATOM 291 O SER A 19 -8.089 20.632 -4.579 1.00 0.00 O ATOM 292 CB SER A 19 -6.794 23.544 -4.598 1.00 0.00 C ATOM 293 OG SER A 19 -6.661 24.893 -4.186 1.00 0.00 O ATOM 0 H SER A 19 -5.890 23.601 -2.274 1.00 0.00 H new ATOM 0 HA SER A 19 -8.421 22.906 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.822 23.158 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.449 23.489 -5.468 1.00 0.00 H new ATOM 0 HG SER A 19 -5.770 25.031 -3.802 1.00 0.00 H new ATOM 299 N ILE A 20 -6.219 20.495 -3.278 1.00 0.00 N ATOM 300 CA ILE A 20 -6.035 19.039 -3.366 1.00 0.00 C ATOM 301 C ILE A 20 -7.117 18.317 -2.538 1.00 0.00 C ATOM 302 O ILE A 20 -7.093 18.328 -1.304 1.00 0.00 O ATOM 303 CB ILE A 20 -4.597 18.597 -2.875 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.498 19.253 -3.768 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.447 17.049 -2.845 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.071 18.848 -3.453 1.00 0.00 C ATOM 0 H ILE A 20 -5.480 20.963 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.130 18.758 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.469 18.948 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.706 19.006 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.578 20.336 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.446 16.787 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.186 16.625 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.604 16.649 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.389 19.361 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.834 19.121 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.963 17.770 -3.576 1.00 0.00 H new ATOM 318 N VAL A 21 -8.089 17.734 -3.249 1.00 0.00 N ATOM 319 CA VAL A 21 -9.121 16.863 -2.674 1.00 0.00 C ATOM 320 C VAL A 21 -8.853 15.441 -3.179 1.00 0.00 C ATOM 321 O VAL A 21 -8.828 15.213 -4.394 1.00 0.00 O ATOM 322 CB VAL A 21 -10.569 17.333 -3.080 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.656 16.357 -2.555 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.834 18.781 -2.591 1.00 0.00 C ATOM 0 H VAL A 21 -8.182 17.856 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.075 16.903 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.626 17.325 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.641 16.714 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.487 15.365 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.604 16.305 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.839 19.085 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.743 18.821 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.106 19.456 -3.041 1.00 0.00 H new ATOM 334 N LEU A 22 -8.628 14.500 -2.255 1.00 0.00 N ATOM 335 CA LEU A 22 -8.230 13.133 -2.596 1.00 0.00 C ATOM 336 C LEU A 22 -9.455 12.258 -2.897 1.00 0.00 C ATOM 337 O LEU A 22 -10.472 12.323 -2.197 1.00 0.00 O ATOM 338 CB LEU A 22 -7.410 12.506 -1.437 1.00 0.00 C ATOM 339 CG LEU A 22 -6.103 13.257 -1.047 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.388 12.545 0.120 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.164 13.427 -2.269 1.00 0.00 C ATOM 0 H LEU A 22 -8.717 14.666 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.611 13.179 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.049 12.447 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.151 11.484 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.378 14.256 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.478 13.088 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.048 12.516 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.133 11.528 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.261 13.955 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.896 12.446 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.674 14.000 -3.043 1.00 0.00 H new ATOM 353 N THR A 23 -9.324 11.458 -3.952 1.00 0.00 N ATOM 354 CA THR A 23 -10.219 10.346 -4.279 1.00 0.00 C ATOM 355 C THR A 23 -9.338 9.159 -4.678 1.00 0.00 C ATOM 356 O THR A 23 -8.097 9.275 -4.750 1.00 0.00 O ATOM 357 CB THR A 23 -11.232 10.678 -5.433 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.526 11.150 -6.587 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.287 11.704 -5.007 1.00 0.00 C ATOM 0 H THR A 23 -8.567 11.568 -4.627 1.00 0.00 H new ATOM 0 HA THR A 23 -10.832 10.125 -3.405 1.00 0.00 H new ATOM 0 HB THR A 23 -11.758 9.755 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.675 11.549 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.962 11.899 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.855 11.313 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.795 12.632 -4.714 1.00 0.00 H new ATOM 367 N ARG A 24 -9.977 8.022 -4.950 1.00 0.00 N ATOM 368 CA ARG A 24 -9.280 6.795 -5.341 1.00 0.00 C ATOM 369 C ARG A 24 -8.773 6.835 -6.798 1.00 0.00 C ATOM 370 O ARG A 24 -8.030 5.944 -7.203 1.00 0.00 O ATOM 371 CB ARG A 24 -10.180 5.553 -5.079 1.00 0.00 C ATOM 372 CG ARG A 24 -10.465 5.293 -3.576 1.00 0.00 C ATOM 373 CD ARG A 24 -11.371 4.073 -3.330 1.00 0.00 C ATOM 374 NE ARG A 24 -12.718 4.250 -3.911 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.619 3.274 -4.066 1.00 0.00 C ATOM 376 NH1 ARG A 24 -13.325 2.014 -3.778 1.00 0.00 N ATOM 377 NH2 ARG A 24 -14.819 3.567 -4.544 1.00 0.00 N ATOM 0 H ARG A 24 -10.991 7.924 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.390 6.714 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.127 5.686 -5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.701 4.672 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.519 5.146 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.933 6.177 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.906 3.185 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.460 3.899 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.980 5.187 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.397 1.773 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.027 1.285 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.049 4.530 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.513 2.830 -4.666 1.00 0.00 H new ATOM 391 N GLU A 25 -9.160 7.865 -7.572 1.00 0.00 N ATOM 392 CA GLU A 25 -8.699 8.047 -8.970 1.00 0.00 C ATOM 393 C GLU A 25 -7.686 9.206 -9.090 1.00 0.00 C ATOM 394 O GLU A 25 -7.087 9.395 -10.159 1.00 0.00 O ATOM 395 CB GLU A 25 -9.912 8.295 -9.896 1.00 0.00 C ATOM 396 CG GLU A 25 -10.710 9.575 -9.583 1.00 0.00 C ATOM 397 CD GLU A 25 -11.868 9.794 -10.563 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.621 10.301 -11.680 1.00 0.00 O ATOM 399 OE2 GLU A 25 -13.019 9.426 -10.242 1.00 0.00 O ATOM 0 H GLU A 25 -9.798 8.594 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.190 7.134 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.561 8.345 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.584 7.439 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.103 9.516 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.041 10.435 -9.617 1.00 0.00 H new ATOM 406 N THR A 26 -7.508 9.989 -8.002 1.00 0.00 N ATOM 407 CA THR A 26 -6.547 11.111 -7.984 1.00 0.00 C ATOM 408 C THR A 26 -5.103 10.578 -8.112 1.00 0.00 C ATOM 409 O THR A 26 -4.556 10.043 -7.157 1.00 0.00 O ATOM 410 CB THR A 26 -6.686 11.976 -6.682 1.00 0.00 C ATOM 411 OG1 THR A 26 -8.052 12.381 -6.509 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.791 13.233 -6.717 1.00 0.00 C ATOM 0 H THR A 26 -8.017 9.863 -7.127 1.00 0.00 H new ATOM 0 HA THR A 26 -6.774 11.752 -8.836 1.00 0.00 H new ATOM 0 HB THR A 26 -6.363 11.354 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.104 13.069 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.922 13.799 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.747 12.934 -6.814 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.071 13.855 -7.567 1.00 0.00 H new ATOM 420 N SER A 27 -4.535 10.654 -9.322 1.00 0.00 N ATOM 421 CA SER A 27 -3.141 10.255 -9.579 1.00 0.00 C ATOM 422 C SER A 27 -2.209 11.457 -9.350 1.00 0.00 C ATOM 423 O SER A 27 -2.675 12.591 -9.164 1.00 0.00 O ATOM 424 CB SER A 27 -3.016 9.707 -11.022 1.00 0.00 C ATOM 425 OG SER A 27 -4.014 8.723 -11.287 1.00 0.00 O ATOM 0 H SER A 27 -5.025 10.993 -10.150 1.00 0.00 H new ATOM 0 HA SER A 27 -2.846 9.464 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.111 10.526 -11.735 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.026 9.273 -11.165 1.00 0.00 H new ATOM 0 HG SER A 27 -4.897 9.083 -11.059 1.00 0.00 H new ATOM 431 N ALA A 28 -0.895 11.205 -9.341 1.00 0.00 N ATOM 432 CA ALA A 28 0.113 12.273 -9.269 1.00 0.00 C ATOM 433 C ALA A 28 0.016 13.249 -10.460 1.00 0.00 C ATOM 434 O ALA A 28 0.291 14.435 -10.319 1.00 0.00 O ATOM 435 CB ALA A 28 1.491 11.643 -9.208 1.00 0.00 C ATOM 0 H ALA A 28 -0.501 10.265 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.072 12.860 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.247 12.426 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.562 11.009 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.656 11.041 -10.101 1.00 0.00 H new ATOM 441 N ASN A 29 -0.399 12.716 -11.618 1.00 0.00 N ATOM 442 CA ASN A 29 -0.548 13.480 -12.878 1.00 0.00 C ATOM 443 C ASN A 29 -1.758 14.451 -12.771 1.00 0.00 C ATOM 444 O ASN A 29 -1.825 15.469 -13.468 1.00 0.00 O ATOM 445 CB ASN A 29 -0.708 12.488 -14.075 1.00 0.00 C ATOM 446 CG ASN A 29 -0.421 13.092 -15.464 1.00 0.00 C ATOM 447 OD1 ASN A 29 0.063 12.263 -16.381 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 -0.627 14.279 -15.718 1.00 0.00 N flip ATOM 0 H ASN A 29 -0.645 11.731 -11.714 1.00 0.00 H new ATOM 0 HA ASN A 29 0.344 14.082 -13.054 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.039 11.642 -13.918 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.725 12.096 -14.069 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.999 14.898 -14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.425 14.644 -16.649 1.00 0.00 H new ATOM 455 N ASP A 30 -2.699 14.122 -11.861 1.00 0.00 N ATOM 456 CA ASP A 30 -3.862 14.982 -11.536 1.00 0.00 C ATOM 457 C ASP A 30 -3.464 16.127 -10.580 1.00 0.00 C ATOM 458 O ASP A 30 -4.219 17.089 -10.419 1.00 0.00 O ATOM 459 CB ASP A 30 -4.996 14.138 -10.892 1.00 0.00 C ATOM 460 CG ASP A 30 -5.633 13.137 -11.872 1.00 0.00 C ATOM 461 OD1 ASP A 30 -5.137 11.997 -11.992 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.621 13.493 -12.547 1.00 0.00 O ATOM 0 H ASP A 30 -2.676 13.252 -11.329 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.219 15.419 -12.468 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.595 13.595 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.768 14.807 -10.512 1.00 0.00 H new ATOM 467 N ILE A 31 -2.284 16.006 -9.948 1.00 0.00 N ATOM 468 CA ILE A 31 -1.761 16.987 -8.980 1.00 0.00 C ATOM 469 C ILE A 31 -0.500 17.656 -9.567 1.00 0.00 C ATOM 470 O ILE A 31 0.599 17.087 -9.518 1.00 0.00 O ATOM 471 CB ILE A 31 -1.458 16.283 -7.586 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.786 15.753 -6.944 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.698 17.212 -6.602 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.641 15.060 -5.590 1.00 0.00 C ATOM 0 H ILE A 31 -1.658 15.214 -10.097 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.508 17.759 -8.796 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.799 15.438 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.472 16.592 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.250 15.055 -7.640 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.517 16.682 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.255 17.507 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.297 18.101 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.621 14.735 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.987 14.194 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.212 15.756 -4.869 1.00 0.00 H new ATOM 486 N ASP A 32 -0.677 18.844 -10.185 1.00 0.00 N ATOM 487 CA ASP A 32 0.450 19.653 -10.700 1.00 0.00 C ATOM 488 C ASP A 32 1.144 20.333 -9.507 1.00 0.00 C ATOM 489 O ASP A 32 0.766 21.433 -9.085 1.00 0.00 O ATOM 490 CB ASP A 32 -0.029 20.687 -11.753 1.00 0.00 C ATOM 491 CG ASP A 32 1.117 21.520 -12.365 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.885 20.965 -13.187 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.262 22.721 -12.038 1.00 0.00 O ATOM 0 H ASP A 32 -1.593 19.265 -10.340 1.00 0.00 H new ATOM 0 HA ASP A 32 1.163 19.006 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.553 20.163 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.749 21.361 -11.288 1.00 0.00 H new ATOM 498 N ALA A 33 2.159 19.630 -8.999 1.00 0.00 N ATOM 499 CA ALA A 33 2.792 19.857 -7.680 1.00 0.00 C ATOM 500 C ALA A 33 3.630 18.625 -7.333 1.00 0.00 C ATOM 501 O ALA A 33 4.726 18.732 -6.769 1.00 0.00 O ATOM 502 CB ALA A 33 1.757 20.107 -6.557 1.00 0.00 C ATOM 0 H ALA A 33 2.585 18.855 -9.508 1.00 0.00 H new ATOM 0 HA ALA A 33 3.409 20.753 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.277 20.267 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.164 20.989 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.101 19.241 -6.468 1.00 0.00 H new ATOM 508 N TRP A 34 3.089 17.449 -7.705 1.00 0.00 N ATOM 509 CA TRP A 34 3.675 16.147 -7.375 1.00 0.00 C ATOM 510 C TRP A 34 4.873 15.852 -8.300 1.00 0.00 C ATOM 511 O TRP A 34 4.747 15.882 -9.531 1.00 0.00 O ATOM 512 CB TRP A 34 2.603 15.017 -7.488 1.00 0.00 C ATOM 513 CG TRP A 34 2.881 13.781 -6.646 1.00 0.00 C ATOM 514 CD1 TRP A 34 4.061 13.102 -6.506 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.932 13.070 -5.853 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.907 12.051 -5.645 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.607 12.006 -5.235 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.573 13.247 -5.595 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.971 11.119 -4.382 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.060 12.365 -4.751 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.641 11.315 -4.151 1.00 0.00 C ATOM 0 H TRP A 34 2.227 17.381 -8.246 1.00 0.00 H new ATOM 0 HA TRP A 34 4.030 16.177 -6.345 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.635 15.425 -7.198 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.523 14.716 -8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.983 13.360 -7.005 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.643 11.407 -5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.028 14.061 -6.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.507 10.304 -3.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.114 12.485 -4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.117 10.642 -3.488 1.00 0.00 H new ATOM 532 N ASP A 35 6.022 15.589 -7.682 1.00 0.00 N ATOM 533 CA ASP A 35 7.245 15.102 -8.345 1.00 0.00 C ATOM 534 C ASP A 35 7.761 13.873 -7.590 1.00 0.00 C ATOM 535 O ASP A 35 7.165 13.446 -6.597 1.00 0.00 O ATOM 536 CB ASP A 35 8.338 16.212 -8.379 1.00 0.00 C ATOM 537 CG ASP A 35 7.963 17.387 -9.288 1.00 0.00 C ATOM 538 OD1 ASP A 35 8.136 17.269 -10.522 1.00 0.00 O ATOM 539 OD2 ASP A 35 7.465 18.419 -8.783 1.00 0.00 O ATOM 0 H ASP A 35 6.139 15.710 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 35 7.012 14.833 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.506 16.581 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.278 15.779 -8.721 1.00 0.00 H new ATOM 544 N SER A 36 8.878 13.307 -8.071 1.00 0.00 N ATOM 545 CA SER A 36 9.551 12.166 -7.421 1.00 0.00 C ATOM 546 C SER A 36 10.092 12.593 -6.036 1.00 0.00 C ATOM 547 O SER A 36 10.239 11.771 -5.131 1.00 0.00 O ATOM 548 CB SER A 36 10.688 11.641 -8.352 1.00 0.00 C ATOM 549 OG SER A 36 10.400 11.920 -9.735 1.00 0.00 O ATOM 0 H SER A 36 9.342 13.625 -8.921 1.00 0.00 H new ATOM 0 HA SER A 36 8.842 11.354 -7.259 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.633 12.107 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.809 10.567 -8.213 1.00 0.00 H new ATOM 554 N LEU A 37 10.388 13.902 -5.911 1.00 0.00 N ATOM 555 CA LEU A 37 10.790 14.538 -4.645 1.00 0.00 C ATOM 556 C LEU A 37 9.602 14.549 -3.661 1.00 0.00 C ATOM 557 O LEU A 37 9.773 14.235 -2.477 1.00 0.00 O ATOM 558 CB LEU A 37 11.326 15.983 -4.928 1.00 0.00 C ATOM 559 CG LEU A 37 12.064 16.754 -3.762 1.00 0.00 C ATOM 560 CD1 LEU A 37 11.088 17.405 -2.761 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.087 15.842 -3.040 1.00 0.00 C ATOM 0 H LEU A 37 10.354 14.553 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 37 11.595 13.967 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.013 15.923 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.481 16.594 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 37 12.612 17.570 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.653 17.919 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.455 18.122 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.465 16.635 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.577 16.403 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.570 14.982 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.835 15.498 -3.754 1.00 0.00 H new ATOM 573 N SER A 38 8.405 14.896 -4.171 1.00 0.00 N ATOM 574 CA SER A 38 7.161 14.901 -3.375 1.00 0.00 C ATOM 575 C SER A 38 6.847 13.492 -2.848 1.00 0.00 C ATOM 576 O SER A 38 6.371 13.346 -1.728 1.00 0.00 O ATOM 577 CB SER A 38 5.991 15.421 -4.220 1.00 0.00 C ATOM 578 OG SER A 38 6.294 16.680 -4.806 1.00 0.00 O ATOM 0 H SER A 38 8.272 15.180 -5.142 1.00 0.00 H new ATOM 0 HA SER A 38 7.303 15.565 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.757 14.700 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.102 15.513 -3.596 1.00 0.00 H new ATOM 0 HG SER A 38 5.562 17.308 -4.629 1.00 0.00 H new ATOM 584 N HIS A 39 7.146 12.473 -3.681 1.00 0.00 N ATOM 585 CA HIS A 39 7.027 11.047 -3.306 1.00 0.00 C ATOM 586 C HIS A 39 7.848 10.739 -2.033 1.00 0.00 C ATOM 587 O HIS A 39 7.341 10.130 -1.101 1.00 0.00 O ATOM 588 CB HIS A 39 7.467 10.117 -4.495 1.00 0.00 C ATOM 589 CG HIS A 39 6.373 9.243 -5.062 1.00 0.00 C ATOM 590 ND1 HIS A 39 5.058 9.401 -4.687 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.454 8.206 -5.940 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.382 8.470 -5.329 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.182 7.725 -6.096 1.00 0.00 N ATOM 0 H HIS A 39 7.478 12.616 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 39 5.979 10.843 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.865 10.740 -5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.282 9.478 -4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.348 7.835 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.315 8.327 -5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.898 6.944 -6.687 1.00 0.00 H new ATOM 601 N MET A 40 9.100 11.233 -1.990 1.00 0.00 N ATOM 602 CA MET A 40 10.009 11.031 -0.837 1.00 0.00 C ATOM 603 C MET A 40 9.413 11.628 0.451 1.00 0.00 C ATOM 604 O MET A 40 9.453 10.996 1.515 1.00 0.00 O ATOM 605 CB MET A 40 11.401 11.651 -1.121 1.00 0.00 C ATOM 606 CG MET A 40 12.167 10.959 -2.251 1.00 0.00 C ATOM 607 SD MET A 40 12.360 9.179 -1.978 1.00 0.00 S ATOM 608 CE MET A 40 13.280 9.114 -0.438 1.00 0.00 C ATOM 0 H MET A 40 9.511 11.780 -2.746 1.00 0.00 H new ATOM 0 HA MET A 40 10.128 9.957 -0.692 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.275 12.704 -1.372 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.999 11.610 -0.211 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.643 11.123 -3.193 1.00 0.00 H new ATOM 0 HG3 MET A 40 13.152 11.416 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.614 8.092 -0.256 1.00 0.00 H new ATOM 0 HE2 MET A 40 14.146 9.772 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.640 9.438 0.382 1.00 0.00 H new ATOM 618 N ASN A 41 8.821 12.824 0.304 1.00 0.00 N ATOM 619 CA ASN A 41 8.163 13.558 1.404 1.00 0.00 C ATOM 620 C ASN A 41 6.948 12.772 1.932 1.00 0.00 C ATOM 621 O ASN A 41 6.751 12.655 3.151 1.00 0.00 O ATOM 622 CB ASN A 41 7.693 14.947 0.916 1.00 0.00 C ATOM 623 CG ASN A 41 8.782 15.781 0.256 1.00 0.00 C ATOM 624 OD1 ASN A 41 8.386 16.608 -0.692 1.00 0.00 O flip ATOM 625 ND2 ASN A 41 9.960 15.685 0.593 1.00 0.00 N flip ATOM 0 H ASN A 41 8.784 13.316 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 41 8.889 13.679 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.875 14.813 0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.292 15.501 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.228 15.034 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.670 16.257 0.135 1.00 0.00 H new ATOM 632 N LEU A 42 6.152 12.233 0.978 1.00 0.00 N ATOM 633 CA LEU A 42 4.966 11.411 1.277 1.00 0.00 C ATOM 634 C LEU A 42 5.357 10.212 2.146 1.00 0.00 C ATOM 635 O LEU A 42 4.935 10.137 3.292 1.00 0.00 O ATOM 636 CB LEU A 42 4.240 10.932 -0.040 1.00 0.00 C ATOM 637 CG LEU A 42 2.965 11.722 -0.468 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.926 11.743 0.660 1.00 0.00 C ATOM 639 CD2 LEU A 42 3.308 13.145 -0.934 1.00 0.00 C ATOM 0 H LEU A 42 6.319 12.359 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 42 4.261 12.032 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.958 10.977 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.964 9.885 0.086 1.00 0.00 H new ATOM 0 HG LEU A 42 2.527 11.200 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.047 12.300 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.637 10.722 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.354 12.222 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.394 13.663 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.791 13.688 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.983 13.095 -1.788 1.00 0.00 H new ATOM 651 N ILE A 43 6.228 9.338 1.599 1.00 0.00 N ATOM 652 CA ILE A 43 6.581 8.047 2.220 1.00 0.00 C ATOM 653 C ILE A 43 7.089 8.252 3.658 1.00 0.00 C ATOM 654 O ILE A 43 6.540 7.645 4.554 1.00 0.00 O ATOM 655 CB ILE A 43 7.609 7.214 1.336 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.893 6.469 0.149 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.429 6.192 2.176 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.121 7.348 -0.821 1.00 0.00 C ATOM 0 H ILE A 43 6.706 9.509 0.714 1.00 0.00 H new ATOM 0 HA ILE A 43 5.671 7.449 2.272 1.00 0.00 H new ATOM 0 HB ILE A 43 8.303 7.947 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.645 5.916 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.205 5.735 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.114 5.651 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.998 6.722 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.750 5.486 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.671 6.727 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.338 7.882 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.800 8.066 -1.281 1.00 0.00 H new ATOM 670 N VAL A 44 8.058 9.167 3.875 1.00 0.00 N ATOM 671 CA VAL A 44 8.666 9.372 5.213 1.00 0.00 C ATOM 672 C VAL A 44 7.625 9.857 6.265 1.00 0.00 C ATOM 673 O VAL A 44 7.696 9.459 7.438 1.00 0.00 O ATOM 674 CB VAL A 44 9.898 10.347 5.167 1.00 0.00 C ATOM 675 CG1 VAL A 44 11.026 9.762 4.275 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.495 11.772 4.704 1.00 0.00 C ATOM 0 H VAL A 44 8.436 9.774 3.147 1.00 0.00 H new ATOM 0 HA VAL A 44 9.029 8.394 5.528 1.00 0.00 H new ATOM 0 HB VAL A 44 10.280 10.442 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.870 10.452 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.350 8.803 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.651 9.619 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.377 12.412 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.064 11.721 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.760 12.185 5.395 1.00 0.00 H new ATOM 686 N SER A 45 6.651 10.677 5.823 1.00 0.00 N ATOM 687 CA SER A 45 5.538 11.134 6.685 1.00 0.00 C ATOM 688 C SER A 45 4.588 9.958 7.007 1.00 0.00 C ATOM 689 O SER A 45 4.150 9.790 8.143 1.00 0.00 O ATOM 690 CB SER A 45 4.766 12.280 5.999 1.00 0.00 C ATOM 691 OG SER A 45 5.615 13.378 5.736 1.00 0.00 O ATOM 0 H SER A 45 6.611 11.039 4.870 1.00 0.00 H new ATOM 0 HA SER A 45 5.953 11.508 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.330 11.922 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.940 12.599 6.635 1.00 0.00 H new ATOM 0 HG SER A 45 6.064 13.246 4.875 1.00 0.00 H new ATOM 697 N LEU A 46 4.312 9.134 5.997 1.00 0.00 N ATOM 698 CA LEU A 46 3.421 7.968 6.122 1.00 0.00 C ATOM 699 C LEU A 46 4.057 6.861 7.002 1.00 0.00 C ATOM 700 O LEU A 46 3.343 6.124 7.697 1.00 0.00 O ATOM 701 CB LEU A 46 3.081 7.427 4.713 1.00 0.00 C ATOM 702 CG LEU A 46 2.381 8.419 3.729 1.00 0.00 C ATOM 703 CD1 LEU A 46 2.133 7.773 2.344 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.083 8.986 4.330 1.00 0.00 C ATOM 0 H LEU A 46 4.700 9.252 5.061 1.00 0.00 H new ATOM 0 HA LEU A 46 2.502 8.282 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.005 7.083 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.439 6.554 4.830 1.00 0.00 H new ATOM 0 HG LEU A 46 3.062 9.256 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.645 8.494 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.085 7.472 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.494 6.898 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.622 9.672 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.394 8.169 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.312 9.519 5.253 1.00 0.00 H new ATOM 716 N GLU A 47 5.406 6.779 6.964 1.00 0.00 N ATOM 717 CA GLU A 47 6.208 5.862 7.800 1.00 0.00 C ATOM 718 C GLU A 47 5.976 6.183 9.277 1.00 0.00 C ATOM 719 O GLU A 47 5.497 5.346 10.029 1.00 0.00 O ATOM 720 CB GLU A 47 7.734 6.011 7.500 1.00 0.00 C ATOM 721 CG GLU A 47 8.188 5.552 6.108 1.00 0.00 C ATOM 722 CD GLU A 47 8.189 4.034 5.929 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.031 3.358 6.561 1.00 0.00 O ATOM 724 OE2 GLU A 47 7.385 3.509 5.145 1.00 0.00 O ATOM 0 H GLU A 47 5.974 7.356 6.343 1.00 0.00 H new ATOM 0 HA GLU A 47 5.897 4.843 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.009 7.058 7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.289 5.445 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.534 5.997 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.192 5.931 5.920 1.00 0.00 H new ATOM 731 N VAL A 48 6.294 7.428 9.653 1.00 0.00 N ATOM 732 CA VAL A 48 6.332 7.855 11.054 1.00 0.00 C ATOM 733 C VAL A 48 4.926 7.967 11.686 1.00 0.00 C ATOM 734 O VAL A 48 4.761 7.655 12.863 1.00 0.00 O ATOM 735 CB VAL A 48 7.119 9.207 11.209 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.592 9.045 10.759 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.434 10.370 10.449 1.00 0.00 C ATOM 0 H VAL A 48 6.532 8.167 8.992 1.00 0.00 H new ATOM 0 HA VAL A 48 6.862 7.075 11.600 1.00 0.00 H new ATOM 0 HB VAL A 48 7.109 9.464 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.115 9.994 10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.078 8.285 11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.621 8.741 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.013 11.284 10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.380 10.129 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.427 10.517 10.840 1.00 0.00 H new ATOM 747 N HIS A 49 3.927 8.426 10.900 1.00 0.00 N ATOM 748 CA HIS A 49 2.526 8.551 11.371 1.00 0.00 C ATOM 749 C HIS A 49 1.873 7.180 11.620 1.00 0.00 C ATOM 750 O HIS A 49 1.356 6.935 12.709 1.00 0.00 O ATOM 751 CB HIS A 49 1.668 9.391 10.374 1.00 0.00 C ATOM 752 CG HIS A 49 1.852 10.884 10.501 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.834 11.711 10.074 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 0.954 11.690 11.166 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 2.514 12.976 10.483 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 1.372 12.933 11.140 1.00 0.00 N flip ATOM 0 H HIS A 49 4.064 8.718 9.932 1.00 0.00 H new ATOM 0 HA HIS A 49 2.562 9.076 12.326 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.918 9.091 9.356 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.616 9.152 10.528 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.662 11.440 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.044 11.350 11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.100 13.864 10.298 1.00 0.00 H new ATOM 765 N TYR A 50 1.891 6.301 10.607 1.00 0.00 N ATOM 766 CA TYR A 50 1.195 4.986 10.671 1.00 0.00 C ATOM 767 C TYR A 50 2.061 3.881 11.330 1.00 0.00 C ATOM 768 O TYR A 50 1.528 2.832 11.721 1.00 0.00 O ATOM 769 CB TYR A 50 0.777 4.546 9.253 1.00 0.00 C ATOM 770 CG TYR A 50 -0.282 5.431 8.559 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.644 5.276 8.844 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.074 6.391 7.606 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.600 6.042 8.202 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.882 7.160 6.970 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.216 6.979 7.268 1.00 0.00 C ATOM 776 OH TYR A 50 -3.171 7.735 6.628 1.00 0.00 O ATOM 0 H TYR A 50 2.379 6.468 9.727 1.00 0.00 H new ATOM 0 HA TYR A 50 0.314 5.120 11.298 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.667 4.517 8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.393 3.528 9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.953 4.546 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.116 6.534 7.362 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.646 5.906 8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.585 7.900 6.242 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.794 8.609 6.395 1.00 0.00 H new ATOM 786 N LYS A 51 3.383 4.137 11.440 1.00 0.00 N ATOM 787 CA LYS A 51 4.396 3.171 11.955 1.00 0.00 C ATOM 788 C LYS A 51 4.410 1.872 11.110 1.00 0.00 C ATOM 789 O LYS A 51 4.478 0.768 11.652 1.00 0.00 O ATOM 790 CB LYS A 51 4.232 2.862 13.489 1.00 0.00 C ATOM 791 CG LYS A 51 4.477 4.062 14.444 1.00 0.00 C ATOM 792 CD LYS A 51 3.249 4.991 14.594 1.00 0.00 C ATOM 793 CE LYS A 51 3.557 6.256 15.415 1.00 0.00 C ATOM 794 NZ LYS A 51 4.059 5.962 16.785 1.00 0.00 N ATOM 0 H LYS A 51 3.789 5.033 11.171 1.00 0.00 H new ATOM 0 HA LYS A 51 5.366 3.656 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.224 2.485 13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.922 2.061 13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.758 3.683 15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.321 4.645 14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.896 5.282 13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.439 4.441 15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.299 6.853 14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.654 6.861 15.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.247 6.854 17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.344 5.417 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.937 5.409 16.722 1.00 0.00 H new ATOM 808 N ILE A 52 4.369 2.026 9.767 1.00 0.00 N ATOM 809 CA ILE A 52 4.321 0.880 8.816 1.00 0.00 C ATOM 810 C ILE A 52 5.394 1.049 7.727 1.00 0.00 C ATOM 811 O ILE A 52 5.961 2.135 7.563 1.00 0.00 O ATOM 812 CB ILE A 52 2.891 0.694 8.159 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.445 1.989 7.407 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.838 0.253 9.212 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.033 1.960 6.830 1.00 0.00 C ATOM 0 H ILE A 52 4.368 2.938 9.310 1.00 0.00 H new ATOM 0 HA ILE A 52 4.526 -0.023 9.390 1.00 0.00 H new ATOM 0 HB ILE A 52 2.965 -0.105 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.521 2.832 8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.147 2.176 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.868 0.134 8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.141 -0.696 9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.764 1.011 9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.825 2.906 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.950 1.144 6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.314 1.809 7.635 1.00 0.00 H new ATOM 827 N LYS A 53 5.656 -0.038 6.987 1.00 0.00 N ATOM 828 CA LYS A 53 6.758 -0.131 6.019 1.00 0.00 C ATOM 829 C LYS A 53 6.214 -0.128 4.576 1.00 0.00 C ATOM 830 O LYS A 53 5.667 -1.131 4.113 1.00 0.00 O ATOM 831 CB LYS A 53 7.547 -1.440 6.310 1.00 0.00 C ATOM 832 CG LYS A 53 8.727 -1.732 5.358 1.00 0.00 C ATOM 833 CD LYS A 53 9.392 -3.093 5.651 1.00 0.00 C ATOM 834 CE LYS A 53 10.579 -3.382 4.730 1.00 0.00 C ATOM 835 NZ LYS A 53 11.145 -4.734 4.969 1.00 0.00 N ATOM 0 H LYS A 53 5.099 -0.891 7.045 1.00 0.00 H new ATOM 0 HA LYS A 53 7.419 0.730 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.929 -1.394 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.853 -2.279 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.372 -1.718 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.470 -0.940 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.729 -3.112 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.652 -3.885 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.261 -3.299 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.353 -2.631 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.947 -4.893 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.471 -4.805 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.414 -5.452 4.794 1.00 0.00 H new ATOM 849 N PHE A 54 6.359 1.016 3.885 1.00 0.00 N ATOM 850 CA PHE A 54 6.072 1.154 2.443 1.00 0.00 C ATOM 851 C PHE A 54 7.326 0.791 1.649 1.00 0.00 C ATOM 852 O PHE A 54 8.330 1.513 1.707 1.00 0.00 O ATOM 853 CB PHE A 54 5.630 2.604 2.084 1.00 0.00 C ATOM 854 CG PHE A 54 4.324 3.031 2.746 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.104 2.752 2.141 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.311 3.693 3.970 1.00 0.00 C ATOM 857 CE1 PHE A 54 1.912 3.124 2.728 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.120 4.063 4.555 1.00 0.00 C ATOM 859 CZ PHE A 54 1.918 3.781 3.933 1.00 0.00 C ATOM 0 H PHE A 54 6.683 1.882 4.316 1.00 0.00 H new ATOM 0 HA PHE A 54 5.252 0.482 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.419 3.297 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.521 2.683 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.089 2.234 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.243 3.919 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.975 2.898 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.125 4.576 5.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.987 4.077 4.394 1.00 0.00 H new ATOM 869 N ALA A 55 7.262 -0.325 0.917 1.00 0.00 N ATOM 870 CA ALA A 55 8.361 -0.786 0.063 1.00 0.00 C ATOM 871 C ALA A 55 8.232 -0.083 -1.288 1.00 0.00 C ATOM 872 O ALA A 55 7.149 -0.079 -1.877 1.00 0.00 O ATOM 873 CB ALA A 55 8.321 -2.314 -0.105 1.00 0.00 C ATOM 0 H ALA A 55 6.445 -0.936 0.900 1.00 0.00 H new ATOM 0 HA ALA A 55 9.320 -0.542 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.146 -2.632 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.413 -2.790 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.376 -2.605 -0.563 1.00 0.00 H new ATOM 879 N LEU A 56 9.338 0.510 -1.773 1.00 0.00 N ATOM 880 CA LEU A 56 9.355 1.341 -3.006 1.00 0.00 C ATOM 881 C LEU A 56 8.926 0.501 -4.240 1.00 0.00 C ATOM 882 O LEU A 56 8.387 1.046 -5.205 1.00 0.00 O ATOM 883 CB LEU A 56 10.781 1.979 -3.183 1.00 0.00 C ATOM 884 CG LEU A 56 10.890 3.363 -3.925 1.00 0.00 C ATOM 885 CD1 LEU A 56 10.634 3.260 -5.441 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.966 4.413 -3.267 1.00 0.00 C ATOM 0 H LEU A 56 10.251 0.430 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 56 8.632 2.151 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.218 2.098 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.402 1.263 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 56 11.923 3.694 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.724 4.248 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.366 2.588 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.631 2.871 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.058 5.361 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.933 4.069 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.255 4.550 -2.225 1.00 0.00 H new ATOM 898 N GLY A 57 9.132 -0.832 -4.158 1.00 0.00 N ATOM 899 CA GLY A 57 8.653 -1.777 -5.172 1.00 0.00 C ATOM 900 C GLY A 57 7.128 -1.747 -5.326 1.00 0.00 C ATOM 901 O GLY A 57 6.603 -1.811 -6.447 1.00 0.00 O ATOM 0 H GLY A 57 9.634 -1.274 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.117 -1.543 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.968 -2.785 -4.903 1.00 0.00 H new ATOM 905 N GLU A 58 6.430 -1.634 -4.178 1.00 0.00 N ATOM 906 CA GLU A 58 4.958 -1.476 -4.127 1.00 0.00 C ATOM 907 C GLU A 58 4.553 -0.115 -4.708 1.00 0.00 C ATOM 908 O GLU A 58 3.567 -0.033 -5.440 1.00 0.00 O ATOM 909 CB GLU A 58 4.421 -1.584 -2.674 1.00 0.00 C ATOM 910 CG GLU A 58 4.797 -2.883 -1.950 1.00 0.00 C ATOM 911 CD GLU A 58 4.353 -2.897 -0.479 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.812 -2.025 0.291 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.547 -3.772 -0.077 1.00 0.00 O ATOM 0 H GLU A 58 6.869 -1.649 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 58 4.523 -2.281 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.798 -0.740 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.335 -1.496 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.343 -3.727 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.877 -3.021 -2.000 1.00 0.00 H new ATOM 920 N LEU A 59 5.340 0.941 -4.372 1.00 0.00 N ATOM 921 CA LEU A 59 5.110 2.332 -4.839 1.00 0.00 C ATOM 922 C LEU A 59 5.103 2.420 -6.380 1.00 0.00 C ATOM 923 O LEU A 59 4.311 3.176 -6.956 1.00 0.00 O ATOM 924 CB LEU A 59 6.169 3.314 -4.235 1.00 0.00 C ATOM 925 CG LEU A 59 5.898 3.864 -2.796 1.00 0.00 C ATOM 926 CD1 LEU A 59 4.629 4.721 -2.769 1.00 0.00 C ATOM 927 CD2 LEU A 59 5.823 2.750 -1.742 1.00 0.00 C ATOM 0 H LEU A 59 6.156 0.849 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 59 4.124 2.633 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.133 2.806 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.263 4.165 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 59 6.751 4.491 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.462 5.092 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.745 5.564 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.776 4.118 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.633 3.188 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.015 2.064 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.767 2.206 -1.720 1.00 0.00 H new ATOM 939 N GLN A 60 5.965 1.619 -7.039 1.00 0.00 N ATOM 940 CA GLN A 60 6.002 1.497 -8.519 1.00 0.00 C ATOM 941 C GLN A 60 4.657 0.995 -9.113 1.00 0.00 C ATOM 942 O GLN A 60 4.386 1.193 -10.302 1.00 0.00 O ATOM 943 CB GLN A 60 7.158 0.547 -8.952 1.00 0.00 C ATOM 944 CG GLN A 60 8.573 0.922 -8.438 1.00 0.00 C ATOM 945 CD GLN A 60 9.151 2.235 -8.988 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.439 3.188 -9.301 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.469 2.308 -9.091 1.00 0.00 N ATOM 0 H GLN A 60 6.656 1.037 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 60 6.177 2.498 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.923 -0.460 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.186 0.513 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.540 0.988 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.258 0.111 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.046 1.509 -8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.907 3.163 -9.434 1.00 0.00 H new ATOM 956 N LYS A 61 3.839 0.334 -8.280 1.00 0.00 N ATOM 957 CA LYS A 61 2.501 -0.180 -8.664 1.00 0.00 C ATOM 958 C LYS A 61 1.359 0.639 -8.023 1.00 0.00 C ATOM 959 O LYS A 61 0.180 0.330 -8.239 1.00 0.00 O ATOM 960 CB LYS A 61 2.397 -1.683 -8.279 1.00 0.00 C ATOM 961 CG LYS A 61 3.382 -2.639 -9.022 1.00 0.00 C ATOM 962 CD LYS A 61 3.012 -2.914 -10.511 1.00 0.00 C ATOM 963 CE LYS A 61 3.487 -1.820 -11.494 1.00 0.00 C ATOM 964 NZ LYS A 61 2.912 -1.996 -12.843 1.00 0.00 N ATOM 0 H LYS A 61 4.083 0.136 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 61 2.389 -0.075 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.567 -1.777 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.378 -2.019 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.384 -2.211 -8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.420 -3.589 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.444 -3.869 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.930 -3.015 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.208 -0.840 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.575 -1.839 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.257 -1.241 -13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.199 -2.920 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.874 -1.951 -12.787 1.00 0.00 H new ATOM 978 N LEU A 62 1.705 1.681 -7.241 1.00 0.00 N ATOM 979 CA LEU A 62 0.715 2.610 -6.665 1.00 0.00 C ATOM 980 C LEU A 62 0.603 3.811 -7.614 1.00 0.00 C ATOM 981 O LEU A 62 1.375 4.760 -7.514 1.00 0.00 O ATOM 982 CB LEU A 62 1.102 3.044 -5.215 1.00 0.00 C ATOM 983 CG LEU A 62 1.367 1.879 -4.208 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.658 2.409 -2.795 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.227 0.833 -4.202 1.00 0.00 C ATOM 0 H LEU A 62 2.670 1.900 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.253 2.118 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.996 3.665 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.303 3.669 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 62 2.261 1.362 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.837 1.571 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.540 3.049 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.803 2.984 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.460 0.045 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.708 1.316 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.125 0.400 -5.197 1.00 0.00 H new ATOM 997 N LYS A 63 -0.335 3.709 -8.571 1.00 0.00 N ATOM 998 CA LYS A 63 -0.495 4.669 -9.687 1.00 0.00 C ATOM 999 C LYS A 63 -1.266 5.913 -9.223 1.00 0.00 C ATOM 1000 O LYS A 63 -1.035 7.025 -9.724 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.188 3.922 -10.877 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.270 4.665 -12.245 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.439 5.669 -12.362 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.815 5.015 -12.164 1.00 0.00 C ATOM 1005 NZ LYS A 63 -4.900 6.018 -12.207 1.00 0.00 N ATOM 0 H LYS A 63 -1.015 2.949 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 63 0.473 5.034 -10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.660 2.982 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.203 3.670 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.333 5.197 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.362 3.925 -13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.308 6.458 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.406 6.143 -13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.979 4.266 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.837 4.493 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.538 5.874 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.492 6.973 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.434 5.914 -13.093 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.147 5.731 -8.232 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.931 6.839 -7.662 1.00 0.00 C ATOM 1021 C ASN A 64 -3.066 6.710 -6.139 1.00 0.00 C ATOM 1022 O ASN A 64 -2.696 5.688 -5.558 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.317 6.994 -8.376 1.00 0.00 C ATOM 1024 CG ASN A 64 -5.201 5.745 -8.478 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.905 5.563 -9.470 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -5.225 4.898 -7.465 1.00 0.00 N ATOM 0 H ASN A 64 -2.337 4.824 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.381 7.761 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.882 7.765 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.137 7.363 -9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.833 4.080 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.635 5.062 -6.649 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.616 7.774 -5.523 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.797 7.895 -4.064 1.00 0.00 C ATOM 1035 C VAL A 65 -4.739 6.790 -3.524 1.00 0.00 C ATOM 1036 O VAL A 65 -4.656 6.416 -2.355 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.353 9.326 -3.686 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.533 9.493 -2.156 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.439 10.441 -4.255 1.00 0.00 C ATOM 0 H VAL A 65 -3.953 8.589 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.821 7.767 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.339 9.419 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.917 10.490 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.237 8.747 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.572 9.360 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.842 11.416 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.436 10.335 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.396 10.357 -5.341 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.609 6.259 -4.407 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.480 5.132 -4.074 1.00 0.00 C ATOM 1051 C GLY A 66 -5.726 3.824 -3.906 1.00 0.00 C ATOM 1052 O GLY A 66 -6.055 3.032 -3.027 1.00 0.00 O ATOM 0 H GLY A 66 -5.721 6.601 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.017 5.356 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.228 5.015 -4.858 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.700 3.615 -4.746 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.811 2.440 -4.651 1.00 0.00 C ATOM 1058 C ASP A 67 -2.985 2.535 -3.372 1.00 0.00 C ATOM 1059 O ASP A 67 -2.808 1.544 -2.662 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.866 2.336 -5.882 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.596 2.190 -7.228 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -4.544 1.390 -7.311 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.226 2.881 -8.203 1.00 0.00 O ATOM 0 H ASP A 67 -4.462 4.251 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.431 1.544 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.236 3.225 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.204 1.481 -5.746 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.494 3.759 -3.092 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.733 4.077 -1.867 1.00 0.00 C ATOM 1070 C LEU A 68 -2.599 3.880 -0.602 1.00 0.00 C ATOM 1071 O LEU A 68 -2.123 3.342 0.393 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.191 5.533 -1.946 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.364 6.057 -0.719 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.894 5.189 -0.450 1.00 0.00 C ATOM 1075 CD2 LEU A 68 0.010 7.547 -0.905 1.00 0.00 C ATOM 0 H LEU A 68 -2.615 4.559 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.890 3.390 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.565 5.613 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.039 6.202 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.000 5.973 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.435 5.589 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.590 4.163 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.541 5.205 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.583 7.889 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.610 7.662 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.899 8.142 -0.996 1.00 0.00 H new ATOM 1087 N ALA A 69 -3.879 4.292 -0.681 1.00 0.00 N ATOM 1088 CA ALA A 69 -4.848 4.176 0.437 1.00 0.00 C ATOM 1089 C ALA A 69 -5.173 2.707 0.720 1.00 0.00 C ATOM 1090 O ALA A 69 -5.168 2.272 1.871 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.131 4.970 0.132 1.00 0.00 C ATOM 0 H ALA A 69 -4.275 4.715 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.390 4.602 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.827 4.871 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.883 6.022 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.593 4.580 -0.775 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.414 1.948 -0.368 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.653 0.487 -0.312 1.00 0.00 C ATOM 1099 C ASP A 70 -4.435 -0.222 0.282 1.00 0.00 C ATOM 1100 O ASP A 70 -4.575 -1.186 1.029 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.964 -0.079 -1.727 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.134 -1.620 -1.762 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.241 -2.119 -1.480 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -5.148 -2.338 -2.053 1.00 0.00 O ATOM 0 H ASP A 70 -5.449 2.329 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.518 0.306 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.876 0.386 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.160 0.204 -2.406 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.245 0.293 -0.056 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.964 -0.260 0.402 1.00 0.00 C ATOM 1111 C LEU A 71 -1.779 0.013 1.916 1.00 0.00 C ATOM 1112 O LEU A 71 -1.244 -0.837 2.630 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.807 0.321 -0.482 1.00 0.00 C ATOM 1114 CG LEU A 71 0.609 -0.367 -0.433 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.459 0.121 0.741 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.503 -1.901 -0.434 1.00 0.00 C ATOM 0 H LEU A 71 -3.144 1.110 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.947 -1.343 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.145 0.306 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.675 1.367 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 71 1.121 -0.067 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.424 -0.385 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.612 1.197 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.947 -0.100 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.502 -2.335 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.064 -2.227 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.004 -2.230 -1.341 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.265 1.184 2.400 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.313 1.495 3.847 1.00 0.00 C ATOM 1130 C VAL A 72 -3.247 0.497 4.579 1.00 0.00 C ATOM 1131 O VAL A 72 -2.888 -0.023 5.638 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.773 2.981 4.133 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.891 3.267 5.656 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.823 4.008 3.473 1.00 0.00 C ATOM 0 H VAL A 72 -2.629 1.928 1.806 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.297 1.394 4.230 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.762 3.090 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.209 4.298 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.624 2.592 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.922 3.112 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.171 5.018 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.815 3.878 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.813 3.853 2.394 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.423 0.204 3.964 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.397 -0.801 4.485 1.00 0.00 C ATOM 1146 C ASP A 73 -4.739 -2.183 4.588 1.00 0.00 C ATOM 1147 O ASP A 73 -4.969 -2.920 5.552 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.655 -0.937 3.571 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.539 0.307 3.527 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.108 0.669 4.575 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.695 0.914 2.451 1.00 0.00 O ATOM 0 H ASP A 73 -4.724 0.653 3.099 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.709 -0.444 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.329 -1.173 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.252 -1.780 3.918 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.937 -2.509 3.553 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.197 -3.782 3.459 1.00 0.00 C ATOM 1158 C LYS A 74 -2.197 -3.918 4.613 1.00 0.00 C ATOM 1159 O LYS A 74 -2.116 -4.977 5.229 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.468 -3.905 2.087 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.397 -4.125 0.868 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.169 -5.465 0.932 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.098 -5.672 -0.282 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.152 -4.625 -0.365 1.00 0.00 N ATOM 0 H LYS A 74 -3.785 -1.892 2.755 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.920 -4.594 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.884 -3.000 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.762 -4.734 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.111 -3.303 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.802 -4.098 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.457 -6.288 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.760 -5.496 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.506 -5.663 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.567 -6.654 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.086 -5.077 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.118 -4.029 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.990 -4.035 -1.206 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.472 -2.825 4.912 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.471 -2.786 6.004 1.00 0.00 C ATOM 1180 C LYS A 75 -1.146 -2.945 7.374 1.00 0.00 C ATOM 1181 O LYS A 75 -0.664 -3.698 8.211 1.00 0.00 O ATOM 1182 CB LYS A 75 0.328 -1.456 5.985 1.00 0.00 C ATOM 1183 CG LYS A 75 1.127 -1.188 4.699 1.00 0.00 C ATOM 1184 CD LYS A 75 2.233 -2.231 4.459 1.00 0.00 C ATOM 1185 CE LYS A 75 2.892 -2.062 3.088 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.958 -3.058 2.852 1.00 0.00 N ATOM 0 H LYS A 75 -1.560 -1.943 4.407 1.00 0.00 H new ATOM 0 HA LYS A 75 0.215 -3.617 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.368 -0.631 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.018 -1.454 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.446 -1.184 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.575 -0.196 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.990 -2.143 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.810 -3.233 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.134 -2.152 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.311 -1.059 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.487 -2.804 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.606 -3.073 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.533 -3.999 2.731 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.272 -2.241 7.574 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.035 -2.276 8.840 1.00 0.00 C ATOM 1202 C LEU A 76 -3.759 -3.630 9.021 1.00 0.00 C ATOM 1203 O LEU A 76 -4.104 -4.006 10.144 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.035 -1.088 8.895 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.396 0.343 8.819 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.481 1.443 8.890 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.306 0.537 9.909 1.00 0.00 C ATOM 0 H LEU A 76 -2.681 -1.631 6.866 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.334 -2.173 9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.742 -1.194 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.608 -1.162 9.820 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.901 0.435 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.009 2.424 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.173 1.326 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.027 1.355 9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.884 1.539 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.751 0.410 10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.516 -0.201 9.769 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.967 -4.351 7.903 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.498 -5.733 7.908 1.00 0.00 C ATOM 1221 C ALA A 77 -3.355 -6.742 8.160 1.00 0.00 C ATOM 1222 O ALA A 77 -3.573 -7.809 8.744 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.219 -6.034 6.584 1.00 0.00 C ATOM 0 H ALA A 77 -3.772 -3.994 6.968 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.223 -5.831 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.604 -7.054 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.046 -5.336 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.519 -5.926 5.756 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.133 -6.382 7.710 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.905 -7.159 7.973 1.00 0.00 C ATOM 1231 C ARG A 78 -0.476 -6.998 9.434 1.00 0.00 C ATOM 1232 O ARG A 78 0.084 -7.925 10.027 1.00 0.00 O ATOM 1233 CB ARG A 78 0.259 -6.722 7.040 1.00 0.00 C ATOM 1234 CG ARG A 78 0.116 -7.163 5.569 1.00 0.00 C ATOM 1235 CD ARG A 78 0.026 -8.693 5.425 1.00 0.00 C ATOM 1236 NE ARG A 78 1.207 -9.394 5.999 1.00 0.00 N ATOM 1237 CZ ARG A 78 1.185 -10.230 7.062 1.00 0.00 C ATOM 1238 NH1 ARG A 78 0.062 -10.475 7.721 1.00 0.00 N ATOM 1239 NH2 ARG A 78 2.297 -10.813 7.469 1.00 0.00 N ATOM 0 H ARG A 78 -1.972 -5.543 7.153 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.132 -8.206 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.342 -5.636 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.192 -7.124 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.776 -6.707 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.968 -6.796 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.878 -9.048 5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.066 -8.950 4.370 1.00 0.00 H new ATOM 0 HE ARG A 78 2.109 -9.230 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.808 -10.030 7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.068 -11.109 8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.175 -10.633 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.278 -11.443 8.271 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.767 -5.819 10.008 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.401 -5.500 11.382 1.00 0.00 C ATOM 1255 C LYS A 79 -1.468 -6.073 12.322 1.00 0.00 C ATOM 1256 O LYS A 79 -1.232 -7.082 12.996 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.259 -3.951 11.600 1.00 0.00 C ATOM 1258 CG LYS A 79 0.980 -3.301 10.939 1.00 0.00 C ATOM 1259 CD LYS A 79 2.313 -3.914 11.438 1.00 0.00 C ATOM 1260 CE LYS A 79 3.544 -3.117 10.971 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.614 -1.782 11.615 1.00 0.00 N ATOM 0 H LYS A 79 -1.261 -5.068 9.527 1.00 0.00 H new ATOM 0 HA LYS A 79 0.570 -5.946 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.154 -3.463 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.225 -3.753 12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.913 -3.418 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.977 -2.231 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.304 -3.956 12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.393 -4.941 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.449 -3.679 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.510 -2.997 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.317 -1.195 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.682 -1.323 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.892 -1.891 12.611 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.657 -5.422 12.304 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.728 -5.582 13.320 1.00 0.00 C ATOM 1277 C LEU A 80 -3.211 -5.239 14.749 1.00 0.00 C ATOM 1278 O LEU A 80 -3.889 -5.496 15.753 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.345 -7.009 13.257 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.955 -7.429 11.883 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.401 -8.908 11.906 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -6.118 -6.492 11.465 1.00 0.00 C ATOM 0 H LEU A 80 -2.904 -4.759 11.569 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.521 -4.871 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.572 -7.730 13.525 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.125 -7.080 14.016 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.174 -7.328 11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.823 -9.176 10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.541 -9.544 12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.154 -9.049 12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.518 -6.815 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.906 -6.532 12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.749 -5.470 11.379 1.00 0.00 H new ATOM 1294 N GLU A 81 -2.023 -4.597 14.795 1.00 0.00 N ATOM 1295 CA GLU A 81 -1.277 -4.276 16.017 1.00 0.00 C ATOM 1296 C GLU A 81 -1.784 -2.958 16.607 1.00 0.00 C ATOM 1297 O GLU A 81 -2.761 -2.382 16.102 1.00 0.00 O ATOM 1298 CB GLU A 81 0.252 -4.178 15.696 1.00 0.00 C ATOM 1299 CG GLU A 81 0.897 -5.451 15.104 1.00 0.00 C ATOM 1300 CD GLU A 81 0.842 -6.649 16.062 1.00 0.00 C ATOM 1301 OE1 GLU A 81 1.715 -6.758 16.950 1.00 0.00 O ATOM 1302 OE2 GLU A 81 -0.086 -7.483 15.949 1.00 0.00 O ATOM 0 H GLU A 81 -1.547 -4.280 13.950 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.431 -5.068 16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.405 -3.357 14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.781 -3.918 16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.389 -5.711 14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.936 -5.242 14.851 1.00 0.00 H new ATOM 1309 N HIS A 82 -1.084 -2.483 17.656 1.00 0.00 N ATOM 1310 CA HIS A 82 -1.441 -1.269 18.401 1.00 0.00 C ATOM 1311 C HIS A 82 -2.819 -1.467 19.065 1.00 0.00 C ATOM 1312 O HIS A 82 -3.845 -1.053 18.518 1.00 0.00 O ATOM 1313 CB HIS A 82 -1.427 0.020 17.507 1.00 0.00 C ATOM 1314 CG HIS A 82 -0.107 0.347 16.855 1.00 0.00 C ATOM 1315 ND1 HIS A 82 0.626 1.475 17.157 1.00 0.00 N ATOM 1316 CD2 HIS A 82 0.584 -0.291 15.882 1.00 0.00 C ATOM 1317 CE1 HIS A 82 1.704 1.518 16.398 1.00 0.00 C ATOM 1318 NE2 HIS A 82 1.705 0.455 15.621 1.00 0.00 N ATOM 0 H HIS A 82 -0.244 -2.941 18.011 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.682 -1.111 19.167 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.179 -0.093 16.726 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.729 0.869 18.120 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.305 -1.216 15.400 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.457 2.292 16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.424 0.224 14.935 1.00 0.00 H new ATOM 1327 N HIS A 83 -2.843 -2.184 20.205 1.00 0.00 N ATOM 1328 CA HIS A 83 -4.080 -2.419 20.972 1.00 0.00 C ATOM 1329 C HIS A 83 -4.420 -1.145 21.763 1.00 0.00 C ATOM 1330 O HIS A 83 -4.067 -1.008 22.942 1.00 0.00 O ATOM 1331 CB HIS A 83 -3.943 -3.654 21.916 1.00 0.00 C ATOM 1332 CG HIS A 83 -3.864 -4.987 21.218 1.00 0.00 C ATOM 1333 ND1 HIS A 83 -2.961 -5.969 21.563 1.00 0.00 N ATOM 1334 CD2 HIS A 83 -4.630 -5.518 20.243 1.00 0.00 C ATOM 1335 CE1 HIS A 83 -3.184 -7.046 20.838 1.00 0.00 C ATOM 1336 NE2 HIS A 83 -4.192 -6.799 20.025 1.00 0.00 N ATOM 0 H HIS A 83 -2.014 -2.613 20.616 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.893 -2.645 20.282 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.049 -3.528 22.526 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.794 -3.668 22.597 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.441 -5.024 19.728 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.634 -7.974 20.899 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.582 -7.453 19.346 1.00 0.00 H new ATOM 1345 N HIS A 84 -5.034 -0.182 21.055 1.00 0.00 N ATOM 1346 CA HIS A 84 -5.532 1.067 21.637 1.00 0.00 C ATOM 1347 C HIS A 84 -6.692 1.574 20.770 1.00 0.00 C ATOM 1348 O HIS A 84 -6.492 2.317 19.799 1.00 0.00 O ATOM 1349 CB HIS A 84 -4.408 2.131 21.767 1.00 0.00 C ATOM 1350 CG HIS A 84 -4.808 3.339 22.579 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -4.528 3.463 23.920 1.00 0.00 N ATOM 1352 CD2 HIS A 84 -5.482 4.464 22.240 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -5.014 4.603 24.365 1.00 0.00 C ATOM 1354 NE2 HIS A 84 -5.598 5.232 23.367 1.00 0.00 N ATOM 0 H HIS A 84 -5.198 -0.254 20.051 1.00 0.00 H new ATOM 0 HA HIS A 84 -5.887 0.879 22.650 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.534 1.669 22.226 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.111 2.456 20.770 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.859 4.710 21.259 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -4.945 4.963 25.381 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.060 6.140 23.424 1.00 0.00 H new ATOM 1363 N HIS A 85 -7.891 1.087 21.089 1.00 0.00 N ATOM 1364 CA HIS A 85 -9.144 1.507 20.447 1.00 0.00 C ATOM 1365 C HIS A 85 -9.837 2.529 21.362 1.00 0.00 C ATOM 1366 O HIS A 85 -9.808 2.373 22.589 1.00 0.00 O ATOM 1367 CB HIS A 85 -10.069 0.278 20.199 1.00 0.00 C ATOM 1368 CG HIS A 85 -9.481 -0.799 19.312 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -10.146 -1.339 18.234 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -8.294 -1.457 19.375 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -9.401 -2.279 17.683 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -8.273 -2.370 18.355 1.00 0.00 N ATOM 0 H HIS A 85 -8.025 0.379 21.811 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.931 1.961 19.479 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.325 -0.165 21.162 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.000 0.627 19.752 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.510 -1.290 20.098 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -9.672 -2.874 16.824 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -7.509 -3.014 18.150 1.00 0.00 H new ATOM 1381 N HIS A 86 -10.459 3.568 20.766 1.00 0.00 N ATOM 1382 CA HIS A 86 -11.124 4.654 21.527 1.00 0.00 C ATOM 1383 C HIS A 86 -12.303 4.121 22.377 1.00 0.00 C ATOM 1384 O HIS A 86 -12.688 4.734 23.377 1.00 0.00 O ATOM 1385 CB HIS A 86 -11.591 5.789 20.576 1.00 0.00 C ATOM 1386 CG HIS A 86 -12.653 5.394 19.568 1.00 0.00 C ATOM 1387 ND1 HIS A 86 -12.366 4.832 18.340 1.00 0.00 N ATOM 1388 CD2 HIS A 86 -14.004 5.500 19.615 1.00 0.00 C ATOM 1389 CE1 HIS A 86 -13.492 4.609 17.687 1.00 0.00 C ATOM 1390 NE2 HIS A 86 -14.498 5.006 18.440 1.00 0.00 N ATOM 0 H HIS A 86 -10.516 3.680 19.754 1.00 0.00 H new ATOM 0 HA HIS A 86 -10.389 5.068 22.217 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -11.975 6.612 21.180 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.723 6.168 20.036 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.584 5.902 20.432 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -13.575 4.174 16.702 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -15.485 4.953 18.187 1.00 0.00 H new ATOM 1399 N HIS A 87 -12.870 2.981 21.944 1.00 0.00 N ATOM 1400 CA HIS A 87 -13.916 2.248 22.671 1.00 0.00 C ATOM 1401 C HIS A 87 -13.257 1.143 23.544 1.00 0.00 C ATOM 1402 O HIS A 87 -13.345 1.212 24.791 1.00 0.00 O ATOM 1403 CB HIS A 87 -14.927 1.646 21.654 1.00 0.00 C ATOM 1404 CG HIS A 87 -16.003 0.795 22.272 1.00 0.00 C ATOM 1405 ND1 HIS A 87 -16.051 -0.577 22.137 1.00 0.00 N ATOM 1406 CD2 HIS A 87 -17.069 1.135 23.022 1.00 0.00 C ATOM 1407 CE1 HIS A 87 -17.102 -1.040 22.776 1.00 0.00 C ATOM 1408 NE2 HIS A 87 -17.738 -0.020 23.326 1.00 0.00 N ATOM 1409 OXT HIS A 87 -12.628 0.225 22.972 1.00 0.00 O ATOM 0 H HIS A 87 -12.608 2.537 21.064 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.462 2.922 23.331 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.397 2.461 21.103 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.379 1.045 20.928 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -17.345 2.134 23.327 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -17.396 -2.077 22.841 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -18.588 -0.083 23.886 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.861 10.834 -10.792 1.00 0.00 P HETATM 1420 O25 PNS A 88 10.762 9.694 -10.598 1.00 0.00 O HETATM 1421 O26 PNS A 88 9.839 11.479 -12.115 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.369 10.443 -10.352 1.00 0.00 O HETATM 1423 C28 PNS A 88 7.307 11.405 -10.332 1.00 0.00 C HETATM 1424 C29 PNS A 88 5.903 10.709 -10.390 1.00 0.00 C HETATM 1425 C30 PNS A 88 4.795 11.732 -10.071 1.00 0.00 C HETATM 1426 C31 PNS A 88 5.841 9.589 -9.301 1.00 0.00 C HETATM 1427 C32 PNS A 88 5.680 10.132 -11.861 1.00 0.00 C HETATM 1428 O33 PNS A 88 6.633 9.104 -12.135 1.00 0.00 O HETATM 1429 C34 PNS A 88 4.263 9.551 -12.095 1.00 0.00 C HETATM 1430 O35 PNS A 88 3.452 10.115 -12.834 1.00 0.00 O HETATM 1431 N36 PNS A 88 3.986 8.423 -11.439 1.00 0.00 N HETATM 1432 C37 PNS A 88 2.707 7.718 -11.540 1.00 0.00 C HETATM 1433 C38 PNS A 88 2.584 6.630 -10.483 1.00 0.00 C HETATM 1434 C39 PNS A 88 2.554 7.174 -9.052 1.00 0.00 C HETATM 1435 O40 PNS A 88 3.449 6.896 -8.256 1.00 0.00 O HETATM 1436 N41 PNS A 88 1.527 7.984 -8.745 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.360 8.591 -7.403 1.00 0.00 C HETATM 1438 C43 PNS A 88 0.375 7.799 -6.541 1.00 0.00 C HETATM 1439 S44 PNS A 88 0.592 8.047 -4.767 1.00 0.00 S HETATM 0 H432 PNS A 88 -0.641 8.081 -6.816 1.00 0.00 H new HETATM 0 H431 PNS A 88 0.483 6.738 -6.765 1.00 0.00 H new HETATM 0 H422 PNS A 88 1.007 9.617 -7.509 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.327 8.637 -6.902 1.00 0.00 H new HETATM 0 H382 PNS A 88 3.421 5.939 -10.584 1.00 0.00 H new HETATM 0 H381 PNS A 88 1.675 6.058 -10.665 1.00 0.00 H new HETATM 0 H372 PNS A 88 2.612 7.276 -12.532 1.00 0.00 H new HETATM 0 H371 PNS A 88 1.889 8.429 -11.428 1.00 0.00 H new HETATM 0 H313 PNS A 88 4.867 9.101 -9.336 1.00 0.00 H new HETATM 0 H312 PNS A 88 5.990 10.031 -8.316 1.00 0.00 H new HETATM 0 H311 PNS A 88 6.623 8.853 -9.491 1.00 0.00 H new HETATM 0 H303 PNS A 88 3.823 11.241 -10.113 1.00 0.00 H new HETATM 0 H302 PNS A 88 4.825 12.540 -10.801 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.952 12.139 -9.072 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.413 12.084 -11.178 1.00 0.00 H new HETATM 0 H281 PNS A 88 7.378 12.009 -9.427 1.00 0.00 H new HETATM 0 H44 PNS A 88 0.827 9.303 -4.530 1.00 0.00 H new HETATM 0 H41 PNS A 88 0.834 8.190 -9.465 1.00 0.00 H new HETATM 0 H36 PNS A 88 4.706 8.030 -10.833 1.00 0.00 H new HETATM 0 H33 PNS A 88 7.452 9.273 -11.624 1.00 0.00 H new HETATM 0 H32 PNS A 88 5.805 10.982 -12.532 1.00 0.00 H new