USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 55 SER OG : rot 180:sc= -0.0809 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 1 LEU N :NH3+ 149:sc= -2.31! (180deg=-3.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -118:sc= -1.57! USER MOD Single : A 9 SER OG : rot -168:sc= -1.35 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 23:sc= 0.685 USER MOD Single : A 20 HIS : no HD1:sc= -15.6! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -1.8! X(o=-1.8!,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 81:sc= 0.652 USER MOD Single : A 41 SER OG : rot -47:sc= 1.18 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0822) USER MOD Single : A 57 THR OG1 : rot 2:sc= -3.1! USER MOD Single : A 58 THR OG1 : rot 171:sc= -5.57! USER MOD Single : A 59 SER OG : rot 150:sc= -1.11 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0125) USER MOD Single : A 70 SER OG : rot -66:sc= 0.761 USER MOD Single : A 72 ASN : amide:sc= -0.0836 K(o=-0.084,f=-1.4) USER MOD Single : A 73 TYR OH : rot 100:sc= -3.58! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -14.3! C(o=-14!,f=-15!) USER MOD Single : A 93 GLN : amide:sc=-0.00611 X(o=-0.0061,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 20.165 1.688 0.821 1.00 0.00 N ATOM 2 CA LEU A 1 19.602 1.278 2.136 1.00 0.00 C ATOM 3 C LEU A 1 18.715 0.049 1.952 1.00 0.00 C ATOM 4 O LEU A 1 17.998 -0.074 0.978 1.00 0.00 O ATOM 5 CB LEU A 1 18.770 2.421 2.718 1.00 0.00 C ATOM 6 CG LEU A 1 19.487 2.998 3.937 1.00 0.00 C ATOM 7 CD1 LEU A 1 20.661 3.859 3.470 1.00 0.00 C ATOM 8 CD2 LEU A 1 18.512 3.857 4.744 1.00 0.00 C ATOM 0 H1 LEU A 1 20.302 2.719 0.808 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.079 1.215 0.672 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.507 1.417 0.062 1.00 0.00 H new ATOM 0 HA LEU A 1 20.418 1.039 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 1 18.622 3.197 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 1 17.781 2.059 3.001 1.00 0.00 H new ATOM 0 HG LEU A 1 19.856 2.186 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 1 21.176 4.273 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 1 21.355 3.247 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 1 20.290 4.672 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 1 19.024 4.269 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.143 4.672 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.673 3.244 5.073 1.00 0.00 H new ATOM 22 N LYS A 2 18.761 -0.860 2.885 1.00 0.00 N ATOM 23 CA LYS A 2 17.927 -2.089 2.782 1.00 0.00 C ATOM 24 C LYS A 2 16.723 -1.958 3.718 1.00 0.00 C ATOM 25 O LYS A 2 16.883 -1.768 4.907 1.00 0.00 O ATOM 26 CB LYS A 2 18.775 -3.301 3.189 1.00 0.00 C ATOM 27 CG LYS A 2 17.871 -4.489 3.529 1.00 0.00 C ATOM 28 CD LYS A 2 18.659 -5.790 3.374 1.00 0.00 C ATOM 29 CE LYS A 2 19.434 -6.075 4.662 1.00 0.00 C ATOM 30 NZ LYS A 2 18.646 -7.003 5.521 1.00 0.00 N ATOM 0 H LYS A 2 19.344 -0.804 3.720 1.00 0.00 H new ATOM 0 HA LYS A 2 17.574 -2.220 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.451 -3.570 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.394 -3.048 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.499 -4.396 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.001 -4.498 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.980 -6.615 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.348 -5.712 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.403 -6.515 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.628 -5.145 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.173 -7.197 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.732 -6.566 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.483 -7.894 5.011 1.00 0.00 H new ATOM 44 N PRO A 3 15.551 -2.067 3.150 1.00 0.00 N ATOM 45 CA PRO A 3 14.479 -1.078 3.346 1.00 0.00 C ATOM 46 C PRO A 3 13.855 -1.257 4.729 1.00 0.00 C ATOM 47 O PRO A 3 13.623 -2.363 5.175 1.00 0.00 O ATOM 48 CB PRO A 3 13.481 -1.398 2.231 1.00 0.00 C ATOM 49 CG PRO A 3 13.750 -2.861 1.811 1.00 0.00 C ATOM 50 CD PRO A 3 15.184 -3.193 2.270 1.00 0.00 C ATOM 0 HA PRO A 3 14.823 -0.045 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.456 -1.277 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.612 -0.721 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.029 -3.536 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.651 -2.979 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.222 -4.143 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.865 -3.275 1.423 1.00 0.00 H new ATOM 58 N LYS A 4 13.593 -0.182 5.421 1.00 0.00 N ATOM 59 CA LYS A 4 13.000 -0.313 6.780 1.00 0.00 C ATOM 60 C LYS A 4 11.532 0.105 6.744 1.00 0.00 C ATOM 61 O LYS A 4 11.195 1.230 7.056 1.00 0.00 O ATOM 62 CB LYS A 4 13.760 0.577 7.769 1.00 0.00 C ATOM 63 CG LYS A 4 15.207 0.756 7.301 1.00 0.00 C ATOM 64 CD LYS A 4 15.959 -0.569 7.445 1.00 0.00 C ATOM 65 CE LYS A 4 16.480 -0.707 8.876 1.00 0.00 C ATOM 66 NZ LYS A 4 16.250 -2.099 9.356 1.00 0.00 N ATOM 0 H LYS A 4 13.763 0.773 5.107 1.00 0.00 H new ATOM 0 HA LYS A 4 13.074 -1.352 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.271 1.548 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.742 0.129 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.226 1.086 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.698 1.531 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.298 -1.402 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.789 -0.607 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.543 -0.470 8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.973 0.003 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.604 -2.194 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.232 -2.309 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.753 -2.767 8.738 1.00 0.00 H new ATOM 80 N ILE A 5 10.662 -0.798 6.372 1.00 0.00 N ATOM 81 CA ILE A 5 9.207 -0.475 6.319 1.00 0.00 C ATOM 82 C ILE A 5 8.589 -0.755 7.690 1.00 0.00 C ATOM 83 O ILE A 5 8.525 -1.884 8.136 1.00 0.00 O ATOM 84 CB ILE A 5 8.543 -1.337 5.242 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.117 -0.847 4.990 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.502 -2.795 5.691 1.00 0.00 C ATOM 87 CD1 ILE A 5 6.808 -0.945 3.496 1.00 0.00 C ATOM 0 H ILE A 5 10.900 -1.752 6.101 1.00 0.00 H new ATOM 0 HA ILE A 5 9.057 0.575 6.070 1.00 0.00 H new ATOM 0 HB ILE A 5 9.123 -1.258 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.408 -1.447 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.008 0.183 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.028 -3.400 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.518 -3.152 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.931 -2.875 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.792 -0.597 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.511 -0.327 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.901 -1.982 3.173 1.00 0.00 H new ATOM 99 N LEU A 6 8.158 0.269 8.377 1.00 0.00 N ATOM 100 CA LEU A 6 7.573 0.066 9.732 1.00 0.00 C ATOM 101 C LEU A 6 6.069 0.356 9.721 1.00 0.00 C ATOM 102 O LEU A 6 5.417 0.275 10.743 1.00 0.00 O ATOM 103 CB LEU A 6 8.262 1.011 10.718 1.00 0.00 C ATOM 104 CG LEU A 6 9.211 0.214 11.614 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.658 0.583 11.283 1.00 0.00 C ATOM 106 CD2 LEU A 6 8.924 0.547 13.080 1.00 0.00 C ATOM 0 H LEU A 6 8.186 1.237 8.057 1.00 0.00 H new ATOM 0 HA LEU A 6 7.726 -0.971 10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.815 1.778 10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.517 1.525 11.326 1.00 0.00 H new ATOM 0 HG LEU A 6 9.061 -0.852 11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.334 0.015 11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.863 0.349 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.809 1.649 11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.599 -0.020 13.721 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.075 1.613 13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.893 0.285 13.318 1.00 0.00 H new ATOM 118 N THR A 7 5.513 0.699 8.584 1.00 0.00 N ATOM 119 CA THR A 7 4.047 0.994 8.522 1.00 0.00 C ATOM 120 C THR A 7 3.281 0.038 9.444 1.00 0.00 C ATOM 121 O THR A 7 3.721 -1.062 9.715 1.00 0.00 O ATOM 122 CB THR A 7 3.548 0.814 7.087 1.00 0.00 C ATOM 123 OG1 THR A 7 2.150 0.563 7.104 1.00 0.00 O ATOM 124 CG2 THR A 7 4.274 -0.364 6.435 1.00 0.00 C ATOM 0 H THR A 7 6.010 0.787 7.698 1.00 0.00 H new ATOM 0 HA THR A 7 3.879 2.021 8.845 1.00 0.00 H new ATOM 0 HB THR A 7 3.748 1.720 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.972 -0.320 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.917 -0.491 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.346 -0.169 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.076 -1.273 7.003 1.00 0.00 H new ATOM 132 N ALA A 8 2.143 0.452 9.934 1.00 0.00 N ATOM 133 CA ALA A 8 1.356 -0.431 10.844 1.00 0.00 C ATOM 134 C ALA A 8 1.071 -1.761 10.156 1.00 0.00 C ATOM 135 O ALA A 8 1.276 -2.822 10.710 1.00 0.00 O ATOM 136 CB ALA A 8 0.035 0.251 11.205 1.00 0.00 C ATOM 0 H ALA A 8 1.724 1.363 9.744 1.00 0.00 H new ATOM 0 HA ALA A 8 1.931 -0.612 11.752 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.538 -0.395 11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.239 1.197 11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.538 0.438 10.297 1.00 0.00 H new ATOM 142 N SER A 9 0.604 -1.703 8.951 1.00 0.00 N ATOM 143 CA SER A 9 0.300 -2.952 8.201 1.00 0.00 C ATOM 144 C SER A 9 -0.751 -3.770 8.953 1.00 0.00 C ATOM 145 O SER A 9 -0.540 -4.198 10.070 1.00 0.00 O ATOM 146 CB SER A 9 1.579 -3.774 8.057 1.00 0.00 C ATOM 147 OG SER A 9 1.251 -5.076 7.595 1.00 0.00 O ATOM 0 H SER A 9 0.416 -0.838 8.443 1.00 0.00 H new ATOM 0 HA SER A 9 -0.088 -2.696 7.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.260 -3.289 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.095 -3.835 9.015 1.00 0.00 H new ATOM 0 HG SER A 9 2.033 -5.660 7.681 1.00 0.00 H new ATOM 153 N ARG A 10 -1.884 -3.988 8.343 1.00 0.00 N ATOM 154 CA ARG A 10 -2.954 -4.775 9.012 1.00 0.00 C ATOM 155 C ARG A 10 -4.180 -4.835 8.105 1.00 0.00 C ATOM 156 O ARG A 10 -4.350 -5.746 7.317 1.00 0.00 O ATOM 157 CB ARG A 10 -3.326 -4.098 10.332 1.00 0.00 C ATOM 158 CG ARG A 10 -4.600 -4.732 10.892 1.00 0.00 C ATOM 159 CD ARG A 10 -4.357 -5.182 12.334 1.00 0.00 C ATOM 160 NE ARG A 10 -5.405 -6.164 12.731 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.375 -6.705 13.918 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.219 -5.955 14.974 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.503 -7.998 14.049 1.00 0.00 N ATOM 0 H ARG A 10 -2.114 -3.653 7.407 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.599 -5.787 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.511 -4.202 11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.478 -3.030 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.421 -4.016 10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.894 -5.584 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.369 -5.633 12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.377 -4.322 13.003 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.145 -6.413 12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.120 -4.945 14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.196 -6.379 15.902 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.626 -8.584 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.480 -8.421 14.977 1.00 0.00 H new ATOM 177 N LYS A 11 -5.029 -3.863 8.212 1.00 0.00 N ATOM 178 CA LYS A 11 -6.254 -3.834 7.363 1.00 0.00 C ATOM 179 C LYS A 11 -6.811 -2.412 7.326 1.00 0.00 C ATOM 180 O LYS A 11 -6.174 -1.474 7.762 1.00 0.00 O ATOM 181 CB LYS A 11 -7.309 -4.780 7.942 1.00 0.00 C ATOM 182 CG LYS A 11 -7.403 -4.583 9.456 1.00 0.00 C ATOM 183 CD LYS A 11 -8.811 -4.949 9.932 1.00 0.00 C ATOM 184 CE LYS A 11 -8.715 -5.902 11.125 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.683 -7.309 10.635 1.00 0.00 N ATOM 0 H LYS A 11 -4.932 -3.077 8.855 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.000 -4.155 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.277 -4.587 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.048 -5.814 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.664 -5.205 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.178 -3.548 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.356 -4.049 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.370 -5.418 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.817 -5.687 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.566 -5.756 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.618 -7.957 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.552 -7.510 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.857 -7.443 10.017 1.00 0.00 H new ATOM 199 N ILE A 12 -7.996 -2.246 6.808 1.00 0.00 N ATOM 200 CA ILE A 12 -8.596 -0.886 6.738 1.00 0.00 C ATOM 201 C ILE A 12 -10.118 -1.000 6.665 1.00 0.00 C ATOM 202 O ILE A 12 -10.656 -1.899 6.049 1.00 0.00 O ATOM 203 CB ILE A 12 -8.090 -0.168 5.487 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.596 0.129 5.633 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.856 1.143 5.316 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.377 1.065 6.823 1.00 0.00 C ATOM 0 H ILE A 12 -8.575 -2.995 6.430 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.312 -0.323 7.627 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.247 -0.802 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.042 -0.798 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.214 0.588 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.499 1.659 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.920 0.932 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.696 1.775 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.313 1.277 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.918 1.997 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.743 0.589 7.733 1.00 0.00 H new ATOM 218 N LYS A 13 -10.816 -0.088 7.283 1.00 0.00 N ATOM 219 CA LYS A 13 -12.303 -0.134 7.244 1.00 0.00 C ATOM 220 C LYS A 13 -12.822 1.070 6.457 1.00 0.00 C ATOM 221 O LYS A 13 -13.246 2.057 7.024 1.00 0.00 O ATOM 222 CB LYS A 13 -12.853 -0.085 8.672 1.00 0.00 C ATOM 223 CG LYS A 13 -12.258 -1.234 9.488 1.00 0.00 C ATOM 224 CD LYS A 13 -12.036 -0.775 10.930 1.00 0.00 C ATOM 225 CE LYS A 13 -10.586 -0.322 11.104 1.00 0.00 C ATOM 226 NZ LYS A 13 -10.159 -0.551 12.514 1.00 0.00 N ATOM 0 H LYS A 13 -10.420 0.688 7.814 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.629 -1.056 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.606 0.870 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.940 -0.160 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.928 -2.093 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.314 -1.556 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.715 0.043 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.259 -1.589 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.938 -0.873 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.491 0.734 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.173 -0.243 12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.771 -0.007 13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.235 -1.563 12.740 1.00 0.00 H new ATOM 240 N ILE A 14 -12.794 0.999 5.153 1.00 0.00 N ATOM 241 CA ILE A 14 -13.289 2.143 4.338 1.00 0.00 C ATOM 242 C ILE A 14 -14.772 1.922 4.022 1.00 0.00 C ATOM 243 O ILE A 14 -15.279 0.824 4.128 1.00 0.00 O ATOM 244 CB ILE A 14 -12.477 2.225 3.037 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.023 1.827 3.323 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.522 3.654 2.490 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.135 2.147 2.113 1.00 0.00 C ATOM 0 H ILE A 14 -12.451 0.200 4.619 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.173 3.077 4.888 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.903 1.546 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.659 2.360 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.968 0.763 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.945 3.709 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.556 3.934 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.097 4.338 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.106 1.859 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.491 1.593 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.176 3.216 1.904 1.00 0.00 H new ATOM 259 N LYS A 15 -15.480 2.950 3.643 1.00 0.00 N ATOM 260 CA LYS A 15 -16.925 2.767 3.329 1.00 0.00 C ATOM 261 C LYS A 15 -17.119 2.851 1.814 1.00 0.00 C ATOM 262 O LYS A 15 -16.237 3.266 1.089 1.00 0.00 O ATOM 263 CB LYS A 15 -17.761 3.847 4.026 1.00 0.00 C ATOM 264 CG LYS A 15 -17.247 4.064 5.452 1.00 0.00 C ATOM 265 CD LYS A 15 -18.212 3.415 6.445 1.00 0.00 C ATOM 266 CE LYS A 15 -18.352 4.307 7.680 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.720 4.153 8.251 1.00 0.00 N ATOM 0 H LYS A 15 -15.125 3.900 3.538 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.254 1.792 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.707 4.780 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.809 3.549 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.252 3.633 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.157 5.130 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.186 3.267 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.845 2.430 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.603 4.036 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.173 5.348 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.816 4.759 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.426 4.432 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.874 3.161 8.521 1.00 0.00 H new ATOM 281 N ALA A 16 -18.258 2.446 1.326 1.00 0.00 N ATOM 282 CA ALA A 16 -18.493 2.487 -0.146 1.00 0.00 C ATOM 283 C ALA A 16 -18.590 3.939 -0.625 1.00 0.00 C ATOM 284 O ALA A 16 -19.053 4.806 0.085 1.00 0.00 O ATOM 285 CB ALA A 16 -19.792 1.752 -0.472 1.00 0.00 C ATOM 0 H ALA A 16 -19.036 2.089 1.881 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.659 2.003 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.966 1.781 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.716 0.715 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.622 2.235 0.043 1.00 0.00 H new ATOM 291 N GLY A 17 -18.162 4.204 -1.834 1.00 0.00 N ATOM 292 CA GLY A 17 -18.227 5.594 -2.374 1.00 0.00 C ATOM 293 C GLY A 17 -17.567 6.562 -1.391 1.00 0.00 C ATOM 294 O GLY A 17 -17.983 7.695 -1.250 1.00 0.00 O ATOM 0 H GLY A 17 -17.769 3.513 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.724 5.643 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.265 5.881 -2.540 1.00 0.00 H new ATOM 298 N PHE A 18 -16.550 6.125 -0.697 1.00 0.00 N ATOM 299 CA PHE A 18 -15.881 7.030 0.289 1.00 0.00 C ATOM 300 C PHE A 18 -14.465 7.380 -0.164 1.00 0.00 C ATOM 301 O PHE A 18 -14.011 6.977 -1.217 1.00 0.00 O ATOM 302 CB PHE A 18 -15.796 6.340 1.649 1.00 0.00 C ATOM 303 CG PHE A 18 -17.011 6.696 2.461 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.253 6.786 1.834 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.898 6.924 3.836 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.392 7.107 2.580 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.036 7.246 4.585 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.284 7.337 3.957 1.00 0.00 C ATOM 0 H PHE A 18 -16.154 5.188 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.472 7.943 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.735 5.260 1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.891 6.650 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.336 6.608 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.935 6.852 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.354 7.177 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.951 7.424 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.163 7.584 4.534 1.00 0.00 H new ATOM 318 N THR A 19 -13.767 8.131 0.647 1.00 0.00 N ATOM 319 CA THR A 19 -12.375 8.525 0.304 1.00 0.00 C ATOM 320 C THR A 19 -11.438 8.111 1.440 1.00 0.00 C ATOM 321 O THR A 19 -11.620 8.494 2.579 1.00 0.00 O ATOM 322 CB THR A 19 -12.312 10.040 0.107 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.643 10.690 1.327 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.305 10.452 -0.980 1.00 0.00 C ATOM 0 H THR A 19 -14.108 8.490 1.539 1.00 0.00 H new ATOM 0 HA THR A 19 -12.067 8.029 -0.616 1.00 0.00 H new ATOM 0 HB THR A 19 -11.305 10.328 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.476 10.082 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.262 11.532 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.049 9.953 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.313 10.166 -0.680 1.00 0.00 H new ATOM 332 N HIS A 20 -10.441 7.323 1.143 1.00 0.00 N ATOM 333 CA HIS A 20 -9.498 6.875 2.210 1.00 0.00 C ATOM 334 C HIS A 20 -8.116 7.491 1.981 1.00 0.00 C ATOM 335 O HIS A 20 -7.790 7.929 0.895 1.00 0.00 O ATOM 336 CB HIS A 20 -9.373 5.352 2.161 1.00 0.00 C ATOM 337 CG HIS A 20 -9.360 4.786 3.547 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.482 4.794 4.358 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.375 4.166 4.270 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.152 4.192 5.511 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.876 3.793 5.514 1.00 0.00 N ATOM 0 H HIS A 20 -10.238 6.969 0.208 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.880 7.193 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.205 4.930 1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.458 5.072 1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.365 3.993 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.834 4.047 6.336 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.377 3.318 6.266 1.00 0.00 H new ATOM 349 N ASN A 21 -7.296 7.508 2.996 1.00 0.00 N ATOM 350 CA ASN A 21 -5.926 8.072 2.847 1.00 0.00 C ATOM 351 C ASN A 21 -4.924 7.070 3.422 1.00 0.00 C ATOM 352 O ASN A 21 -4.491 7.178 4.552 1.00 0.00 O ATOM 353 CB ASN A 21 -5.825 9.401 3.595 1.00 0.00 C ATOM 354 CG ASN A 21 -6.226 9.199 5.057 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.398 9.170 5.379 1.00 0.00 O ATOM 356 ND2 ASN A 21 -5.298 9.055 5.962 1.00 0.00 N ATOM 0 H ASN A 21 -7.518 7.154 3.926 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.709 8.251 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.807 9.786 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.474 10.143 3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.556 8.918 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.315 9.079 5.692 1.00 0.00 H new ATOM 363 N LEU A 22 -4.573 6.084 2.647 1.00 0.00 N ATOM 364 CA LEU A 22 -3.620 5.041 3.118 1.00 0.00 C ATOM 365 C LEU A 22 -2.215 5.626 3.267 1.00 0.00 C ATOM 366 O LEU A 22 -1.733 6.337 2.407 1.00 0.00 O ATOM 367 CB LEU A 22 -3.596 3.927 2.080 1.00 0.00 C ATOM 368 CG LEU A 22 -2.644 2.816 2.509 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.154 1.495 1.943 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.244 3.090 1.955 1.00 0.00 C ATOM 0 H LEU A 22 -4.911 5.954 1.693 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.938 4.662 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.600 3.523 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.285 4.328 1.115 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.597 2.772 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.484 0.689 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.154 1.296 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.189 1.555 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.568 2.293 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.285 3.129 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.881 4.043 2.339 1.00 0.00 H new ATOM 382 N GLU A 23 -1.550 5.314 4.347 1.00 0.00 N ATOM 383 CA GLU A 23 -0.170 5.835 4.555 1.00 0.00 C ATOM 384 C GLU A 23 0.759 4.681 4.949 1.00 0.00 C ATOM 385 O GLU A 23 0.333 3.691 5.509 1.00 0.00 O ATOM 386 CB GLU A 23 -0.184 6.884 5.668 1.00 0.00 C ATOM 387 CG GLU A 23 -0.541 8.249 5.077 1.00 0.00 C ATOM 388 CD GLU A 23 -0.529 9.305 6.184 1.00 0.00 C ATOM 389 OE1 GLU A 23 0.544 9.593 6.689 1.00 0.00 O ATOM 390 OE2 GLU A 23 -1.593 9.807 6.508 1.00 0.00 O ATOM 0 H GLU A 23 -1.905 4.719 5.096 1.00 0.00 H new ATOM 0 HA GLU A 23 0.190 6.290 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.908 6.607 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.791 6.929 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.172 8.517 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.525 8.208 4.610 1.00 0.00 H new ATOM 397 N VAL A 24 2.026 4.805 4.660 1.00 0.00 N ATOM 398 CA VAL A 24 2.991 3.722 5.013 1.00 0.00 C ATOM 399 C VAL A 24 4.398 4.316 5.079 1.00 0.00 C ATOM 400 O VAL A 24 4.735 5.201 4.324 1.00 0.00 O ATOM 401 CB VAL A 24 2.944 2.629 3.939 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.183 1.735 4.047 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.691 1.778 4.137 1.00 0.00 C ATOM 0 H VAL A 24 2.437 5.613 4.193 1.00 0.00 H new ATOM 0 HA VAL A 24 2.728 3.289 5.978 1.00 0.00 H new ATOM 0 HB VAL A 24 2.923 3.097 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.141 0.961 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.080 2.338 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.211 1.269 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.655 1.000 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.716 1.317 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.806 2.409 4.054 1.00 0.00 H new ATOM 413 N ASP A 25 5.222 3.844 5.976 1.00 0.00 N ATOM 414 CA ASP A 25 6.602 4.399 6.078 1.00 0.00 C ATOM 415 C ASP A 25 7.630 3.294 5.838 1.00 0.00 C ATOM 416 O ASP A 25 7.531 2.215 6.386 1.00 0.00 O ATOM 417 CB ASP A 25 6.810 4.992 7.473 1.00 0.00 C ATOM 418 CG ASP A 25 6.082 6.333 7.571 1.00 0.00 C ATOM 419 OD1 ASP A 25 4.877 6.318 7.761 1.00 0.00 O ATOM 420 OD2 ASP A 25 6.742 7.353 7.456 1.00 0.00 O ATOM 0 H ASP A 25 5.000 3.102 6.639 1.00 0.00 H new ATOM 0 HA ASP A 25 6.730 5.176 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.434 4.306 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.874 5.129 7.667 1.00 0.00 H new ATOM 425 N PHE A 26 8.628 3.555 5.032 1.00 0.00 N ATOM 426 CA PHE A 26 9.658 2.507 4.786 1.00 0.00 C ATOM 427 C PHE A 26 10.899 3.124 4.140 1.00 0.00 C ATOM 428 O PHE A 26 10.843 3.678 3.061 1.00 0.00 O ATOM 429 CB PHE A 26 9.079 1.405 3.891 1.00 0.00 C ATOM 430 CG PHE A 26 9.092 1.838 2.445 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.002 2.538 1.914 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.189 1.529 1.633 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.009 2.929 0.571 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.197 1.922 0.290 1.00 0.00 C ATOM 435 CZ PHE A 26 9.107 2.621 -0.241 1.00 0.00 C ATOM 0 H PHE A 26 8.772 4.437 4.540 1.00 0.00 H new ATOM 0 HA PHE A 26 9.950 2.067 5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.660 0.490 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.059 1.176 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.156 2.776 2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.029 0.988 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.168 3.468 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.044 1.686 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.113 2.923 -1.278 1.00 0.00 H new ATOM 445 N ILE A 27 12.021 3.031 4.802 1.00 0.00 N ATOM 446 CA ILE A 27 13.274 3.618 4.239 1.00 0.00 C ATOM 447 C ILE A 27 13.886 2.661 3.215 1.00 0.00 C ATOM 448 O ILE A 27 13.533 1.502 3.146 1.00 0.00 O ATOM 449 CB ILE A 27 14.283 3.865 5.365 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.542 4.149 6.676 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.158 5.067 5.009 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.387 5.117 6.417 1.00 0.00 C ATOM 0 H ILE A 27 12.125 2.574 5.708 1.00 0.00 H new ATOM 0 HA ILE A 27 13.032 4.562 3.752 1.00 0.00 H new ATOM 0 HB ILE A 27 14.906 2.979 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.162 3.219 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.228 4.575 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.876 5.244 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.692 4.866 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.530 5.949 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.863 5.316 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.779 6.051 6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.695 4.675 5.700 1.00 0.00 H new ATOM 464 N GLY A 28 14.806 3.147 2.422 1.00 0.00 N ATOM 465 CA GLY A 28 15.457 2.283 1.395 1.00 0.00 C ATOM 466 C GLY A 28 16.248 3.164 0.423 1.00 0.00 C ATOM 467 O GLY A 28 15.897 4.301 0.180 1.00 0.00 O ATOM 0 H GLY A 28 15.136 4.112 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.121 1.564 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.704 1.710 0.854 1.00 0.00 H new ATOM 471 N ALA A 29 17.313 2.655 -0.136 1.00 0.00 N ATOM 472 CA ALA A 29 18.114 3.479 -1.090 1.00 0.00 C ATOM 473 C ALA A 29 19.090 2.574 -1.853 1.00 0.00 C ATOM 474 O ALA A 29 19.160 1.391 -1.590 1.00 0.00 O ATOM 475 CB ALA A 29 18.879 4.546 -0.309 1.00 0.00 C ATOM 0 H ALA A 29 17.662 1.710 0.025 1.00 0.00 H new ATOM 0 HA ALA A 29 17.454 3.966 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.466 5.151 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.173 5.184 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.545 4.065 0.408 1.00 0.00 H new ATOM 481 N PRO A 30 19.799 3.148 -2.799 1.00 0.00 N ATOM 482 CA PRO A 30 19.720 4.588 -3.127 1.00 0.00 C ATOM 483 C PRO A 30 18.401 4.918 -3.826 1.00 0.00 C ATOM 484 O PRO A 30 18.136 6.052 -4.172 1.00 0.00 O ATOM 485 CB PRO A 30 20.917 4.813 -4.057 1.00 0.00 C ATOM 486 CG PRO A 30 21.279 3.431 -4.642 1.00 0.00 C ATOM 487 CD PRO A 30 20.732 2.386 -3.654 1.00 0.00 C ATOM 0 HA PRO A 30 19.750 5.228 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.666 5.517 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.760 5.236 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.838 3.300 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.358 3.329 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.223 1.575 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.533 1.936 -3.067 1.00 0.00 H new ATOM 495 N ASP A 31 17.568 3.938 -4.024 1.00 0.00 N ATOM 496 CA ASP A 31 16.262 4.197 -4.686 1.00 0.00 C ATOM 497 C ASP A 31 15.394 2.941 -4.587 1.00 0.00 C ATOM 498 O ASP A 31 15.431 2.092 -5.456 1.00 0.00 O ATOM 499 CB ASP A 31 16.491 4.552 -6.157 1.00 0.00 C ATOM 500 CG ASP A 31 15.364 5.465 -6.643 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.391 5.609 -5.921 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.493 6.006 -7.729 1.00 0.00 O ATOM 0 H ASP A 31 17.735 2.968 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 31 15.759 5.030 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.453 5.049 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.524 3.645 -6.760 1.00 0.00 H new ATOM 507 N PRO A 32 14.644 2.858 -3.519 1.00 0.00 N ATOM 508 CA PRO A 32 13.757 1.712 -3.256 1.00 0.00 C ATOM 509 C PRO A 32 12.479 1.812 -4.093 1.00 0.00 C ATOM 510 O PRO A 32 12.059 2.885 -4.480 1.00 0.00 O ATOM 511 CB PRO A 32 13.430 1.848 -1.767 1.00 0.00 C ATOM 512 CG PRO A 32 13.654 3.334 -1.409 1.00 0.00 C ATOM 513 CD PRO A 32 14.611 3.901 -2.473 1.00 0.00 C ATOM 0 HA PRO A 32 14.215 0.756 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.401 1.550 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.072 1.202 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.710 3.879 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.081 3.432 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.250 4.851 -2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.603 4.083 -2.060 1.00 0.00 H new ATOM 521 N THR A 33 11.851 0.701 -4.359 1.00 0.00 N ATOM 522 CA THR A 33 10.593 0.723 -5.153 1.00 0.00 C ATOM 523 C THR A 33 9.482 0.069 -4.331 1.00 0.00 C ATOM 524 O THR A 33 9.568 -1.088 -3.969 1.00 0.00 O ATOM 525 CB THR A 33 10.793 -0.054 -6.457 1.00 0.00 C ATOM 526 OG1 THR A 33 11.621 0.698 -7.332 1.00 0.00 O ATOM 527 CG2 THR A 33 9.436 -0.299 -7.119 1.00 0.00 C ATOM 0 H THR A 33 12.157 -0.225 -4.059 1.00 0.00 H new ATOM 0 HA THR A 33 10.323 1.752 -5.391 1.00 0.00 H new ATOM 0 HB THR A 33 11.268 -1.011 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.751 0.201 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.579 -0.852 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.802 -0.876 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.959 0.657 -7.336 1.00 0.00 H new ATOM 535 N ALA A 34 8.445 0.801 -4.026 1.00 0.00 N ATOM 536 CA ALA A 34 7.335 0.219 -3.220 1.00 0.00 C ATOM 537 C ALA A 34 6.139 -0.066 -4.128 1.00 0.00 C ATOM 538 O ALA A 34 5.457 0.834 -4.576 1.00 0.00 O ATOM 539 CB ALA A 34 6.927 1.207 -2.126 1.00 0.00 C ATOM 0 H ALA A 34 8.319 1.775 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 34 7.668 -0.712 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.115 0.782 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.781 1.406 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.594 2.139 -2.583 1.00 0.00 H new ATOM 545 N THR A 35 5.880 -1.315 -4.403 1.00 0.00 N ATOM 546 CA THR A 35 4.730 -1.661 -5.282 1.00 0.00 C ATOM 547 C THR A 35 3.462 -1.809 -4.438 1.00 0.00 C ATOM 548 O THR A 35 3.461 -2.450 -3.403 1.00 0.00 O ATOM 549 CB THR A 35 5.017 -2.980 -6.005 1.00 0.00 C ATOM 550 OG1 THR A 35 6.138 -2.814 -6.862 1.00 0.00 O ATOM 551 CG2 THR A 35 3.796 -3.386 -6.832 1.00 0.00 C ATOM 0 H THR A 35 6.416 -2.111 -4.056 1.00 0.00 H new ATOM 0 HA THR A 35 4.586 -0.867 -6.015 1.00 0.00 H new ATOM 0 HB THR A 35 5.232 -3.758 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.324 -3.658 -7.324 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.001 -4.325 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.937 -3.513 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.579 -2.610 -7.566 1.00 0.00 H new ATOM 559 N TRP A 36 2.383 -1.222 -4.881 1.00 0.00 N ATOM 560 CA TRP A 36 1.104 -1.320 -4.124 1.00 0.00 C ATOM 561 C TRP A 36 0.230 -2.415 -4.759 1.00 0.00 C ATOM 562 O TRP A 36 -0.416 -2.220 -5.783 1.00 0.00 O ATOM 563 CB TRP A 36 0.396 0.035 -4.172 1.00 0.00 C ATOM 564 CG TRP A 36 0.885 0.891 -3.039 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.691 1.976 -3.160 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.619 0.747 -1.614 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.913 2.513 -1.907 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.276 1.791 -0.922 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.125 -0.175 -0.865 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.193 1.915 0.465 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.207 -0.054 0.530 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.447 0.988 1.192 1.00 0.00 C ATOM 0 H TRP A 36 2.333 -0.675 -5.741 1.00 0.00 H new ATOM 0 HA TRP A 36 1.292 -1.582 -3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.591 0.527 -5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.683 -0.103 -4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.094 2.358 -4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.480 3.343 -1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.638 -0.983 -1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.702 2.722 0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.780 -0.772 1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.375 1.075 2.266 1.00 0.00 H new ATOM 583 N THR A 37 0.221 -3.582 -4.177 1.00 0.00 N ATOM 584 CA THR A 37 -0.587 -4.682 -4.769 1.00 0.00 C ATOM 585 C THR A 37 -1.860 -4.919 -3.965 1.00 0.00 C ATOM 586 O THR A 37 -2.128 -4.265 -2.976 1.00 0.00 O ATOM 587 CB THR A 37 0.233 -5.972 -4.821 1.00 0.00 C ATOM 588 OG1 THR A 37 1.438 -5.797 -4.089 1.00 0.00 O ATOM 589 CG2 THR A 37 0.561 -6.313 -6.276 1.00 0.00 C ATOM 0 H THR A 37 0.732 -3.819 -3.327 1.00 0.00 H new ATOM 0 HA THR A 37 -0.864 -4.387 -5.781 1.00 0.00 H new ATOM 0 HB THR A 37 -0.343 -6.786 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.261 -5.921 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.145 -7.232 -6.311 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.365 -6.450 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.136 -5.500 -6.719 1.00 0.00 H new ATOM 597 N VAL A 38 -2.664 -5.838 -4.415 1.00 0.00 N ATOM 598 CA VAL A 38 -3.948 -6.107 -3.730 1.00 0.00 C ATOM 599 C VAL A 38 -4.140 -7.616 -3.525 1.00 0.00 C ATOM 600 O VAL A 38 -5.159 -8.178 -3.875 1.00 0.00 O ATOM 601 CB VAL A 38 -5.055 -5.540 -4.617 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.341 -6.497 -5.772 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.319 -5.324 -3.800 1.00 0.00 C ATOM 0 H VAL A 38 -2.482 -6.417 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.967 -5.641 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.726 -4.583 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.131 -6.085 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.437 -6.629 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.658 -7.461 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.102 -4.920 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.648 -6.275 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.114 -4.623 -2.991 1.00 0.00 H new ATOM 613 N GLY A 39 -3.172 -8.276 -2.956 1.00 0.00 N ATOM 614 CA GLY A 39 -3.308 -9.743 -2.731 1.00 0.00 C ATOM 615 C GLY A 39 -1.921 -10.377 -2.615 1.00 0.00 C ATOM 616 O GLY A 39 -1.731 -11.351 -1.914 1.00 0.00 O ATOM 0 H GLY A 39 -2.294 -7.866 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.881 -9.930 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.859 -10.198 -3.555 1.00 0.00 H new ATOM 620 N ASP A 40 -0.951 -9.834 -3.296 1.00 0.00 N ATOM 621 CA ASP A 40 0.420 -10.409 -3.222 1.00 0.00 C ATOM 622 C ASP A 40 0.404 -11.840 -3.761 1.00 0.00 C ATOM 623 O ASP A 40 1.172 -12.681 -3.338 1.00 0.00 O ATOM 624 CB ASP A 40 0.885 -10.420 -1.768 1.00 0.00 C ATOM 625 CG ASP A 40 2.404 -10.247 -1.715 1.00 0.00 C ATOM 626 OD1 ASP A 40 2.935 -9.575 -2.584 1.00 0.00 O ATOM 627 OD2 ASP A 40 3.011 -10.789 -0.806 1.00 0.00 O ATOM 0 H ASP A 40 -1.048 -9.018 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 40 1.101 -9.804 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.398 -9.618 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.598 -11.357 -1.291 1.00 0.00 H new ATOM 632 N SER A 41 -0.462 -12.124 -4.694 1.00 0.00 N ATOM 633 CA SER A 41 -0.523 -13.494 -5.256 1.00 0.00 C ATOM 634 C SER A 41 -1.230 -13.470 -6.613 1.00 0.00 C ATOM 635 O SER A 41 -1.713 -14.479 -7.087 1.00 0.00 O ATOM 636 CB SER A 41 -1.284 -14.409 -4.297 1.00 0.00 C ATOM 637 OG SER A 41 -1.328 -15.723 -4.838 1.00 0.00 O ATOM 0 H SER A 41 -1.130 -11.462 -5.090 1.00 0.00 H new ATOM 0 HA SER A 41 0.491 -13.871 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.796 -14.421 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.295 -14.033 -4.142 1.00 0.00 H new ATOM 0 HG SER A 41 -1.590 -15.680 -5.781 1.00 0.00 H new ATOM 643 N GLY A 42 -1.293 -12.330 -7.248 1.00 0.00 N ATOM 644 CA GLY A 42 -1.966 -12.258 -8.576 1.00 0.00 C ATOM 645 C GLY A 42 -2.974 -11.109 -8.585 1.00 0.00 C ATOM 646 O GLY A 42 -4.063 -11.232 -9.109 1.00 0.00 O ATOM 0 H GLY A 42 -0.909 -11.449 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.225 -12.110 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.472 -13.200 -8.789 1.00 0.00 H new ATOM 650 N ALA A 43 -2.624 -9.990 -8.011 1.00 0.00 N ATOM 651 CA ALA A 43 -3.560 -8.844 -7.991 1.00 0.00 C ATOM 652 C ALA A 43 -2.825 -7.581 -7.537 1.00 0.00 C ATOM 653 O ALA A 43 -1.900 -7.634 -6.750 1.00 0.00 O ATOM 654 CB ALA A 43 -4.704 -9.144 -7.024 1.00 0.00 C ATOM 0 H ALA A 43 -1.726 -9.825 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.958 -8.685 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.396 -8.302 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.231 -10.040 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.302 -9.304 -6.024 1.00 0.00 H new ATOM 660 N ALA A 44 -3.242 -6.444 -8.022 1.00 0.00 N ATOM 661 CA ALA A 44 -2.588 -5.165 -7.621 1.00 0.00 C ATOM 662 C ALA A 44 -3.669 -4.096 -7.462 1.00 0.00 C ATOM 663 O ALA A 44 -4.810 -4.315 -7.816 1.00 0.00 O ATOM 664 CB ALA A 44 -1.592 -4.735 -8.700 1.00 0.00 C ATOM 0 H ALA A 44 -4.012 -6.345 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.053 -5.298 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.116 -3.800 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.832 -5.507 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.118 -4.591 -9.644 1.00 0.00 H new ATOM 670 N LEU A 45 -3.343 -2.935 -6.951 1.00 0.00 N ATOM 671 CA LEU A 45 -4.417 -1.897 -6.821 1.00 0.00 C ATOM 672 C LEU A 45 -3.873 -0.523 -7.207 1.00 0.00 C ATOM 673 O LEU A 45 -2.701 -0.239 -7.059 1.00 0.00 O ATOM 674 CB LEU A 45 -5.011 -1.882 -5.399 1.00 0.00 C ATOM 675 CG LEU A 45 -4.031 -1.304 -4.376 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.659 -1.907 -4.588 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.958 0.218 -4.521 1.00 0.00 C ATOM 0 H LEU A 45 -2.414 -2.664 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.225 -2.152 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.928 -1.293 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.282 -2.897 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.380 -1.546 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.963 -1.494 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.714 -2.989 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.311 -1.674 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.258 0.620 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.618 0.472 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.946 0.647 -4.353 1.00 0.00 H new ATOM 689 N ALA A 46 -4.719 0.328 -7.725 1.00 0.00 N ATOM 690 CA ALA A 46 -4.254 1.678 -8.145 1.00 0.00 C ATOM 691 C ALA A 46 -5.305 2.349 -9.044 1.00 0.00 C ATOM 692 O ALA A 46 -5.712 3.461 -8.779 1.00 0.00 O ATOM 693 CB ALA A 46 -2.940 1.543 -8.916 1.00 0.00 C ATOM 0 H ALA A 46 -5.711 0.145 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.103 2.293 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.597 2.530 -9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.188 1.081 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.097 0.921 -9.797 1.00 0.00 H new ATOM 699 N PRO A 47 -5.712 1.664 -10.086 1.00 0.00 N ATOM 700 CA PRO A 47 -6.706 2.202 -11.035 1.00 0.00 C ATOM 701 C PRO A 47 -8.092 2.267 -10.392 1.00 0.00 C ATOM 702 O PRO A 47 -8.990 2.914 -10.894 1.00 0.00 O ATOM 703 CB PRO A 47 -6.656 1.224 -12.213 1.00 0.00 C ATOM 704 CG PRO A 47 -6.055 -0.089 -11.662 1.00 0.00 C ATOM 705 CD PRO A 47 -5.248 0.295 -10.407 1.00 0.00 C ATOM 0 HA PRO A 47 -6.493 3.224 -11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.653 1.054 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.044 1.622 -13.023 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.841 -0.802 -11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.415 -0.565 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.438 -0.394 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.175 0.272 -10.600 1.00 0.00 H new ATOM 713 N GLU A 48 -8.265 1.632 -9.268 1.00 0.00 N ATOM 714 CA GLU A 48 -9.581 1.692 -8.576 1.00 0.00 C ATOM 715 C GLU A 48 -9.487 2.739 -7.466 1.00 0.00 C ATOM 716 O GLU A 48 -10.319 2.809 -6.583 1.00 0.00 O ATOM 717 CB GLU A 48 -9.908 0.324 -7.973 1.00 0.00 C ATOM 718 CG GLU A 48 -9.582 -0.773 -8.989 1.00 0.00 C ATOM 719 CD GLU A 48 -10.748 -1.760 -9.067 1.00 0.00 C ATOM 720 OE1 GLU A 48 -10.745 -2.711 -8.303 1.00 0.00 O ATOM 721 OE2 GLU A 48 -11.623 -1.549 -9.890 1.00 0.00 O ATOM 0 H GLU A 48 -7.552 1.074 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.368 1.960 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.333 0.171 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.962 0.278 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.398 -0.333 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.670 -1.294 -8.698 1.00 0.00 H new ATOM 728 N LEU A 49 -8.463 3.551 -7.509 1.00 0.00 N ATOM 729 CA LEU A 49 -8.273 4.593 -6.478 1.00 0.00 C ATOM 730 C LEU A 49 -7.077 5.447 -6.883 1.00 0.00 C ATOM 731 O LEU A 49 -6.639 5.422 -8.014 1.00 0.00 O ATOM 732 CB LEU A 49 -7.991 3.921 -5.140 1.00 0.00 C ATOM 733 CG LEU A 49 -6.749 3.044 -5.277 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.921 3.125 -3.998 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.176 1.598 -5.517 1.00 0.00 C ATOM 0 H LEU A 49 -7.743 3.529 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.164 5.214 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.838 4.673 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.846 3.318 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.149 3.392 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.035 2.498 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.618 4.158 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.518 2.777 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.291 0.969 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.776 1.251 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.766 1.540 -6.432 1.00 0.00 H new ATOM 747 N LEU A 50 -6.536 6.192 -5.974 1.00 0.00 N ATOM 748 CA LEU A 50 -5.360 7.025 -6.309 1.00 0.00 C ATOM 749 C LEU A 50 -4.169 6.483 -5.517 1.00 0.00 C ATOM 750 O LEU A 50 -4.346 5.747 -4.568 1.00 0.00 O ATOM 751 CB LEU A 50 -5.663 8.470 -5.925 1.00 0.00 C ATOM 752 CG LEU A 50 -4.370 9.266 -5.838 1.00 0.00 C ATOM 753 CD1 LEU A 50 -3.774 9.397 -7.236 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.684 10.649 -5.277 1.00 0.00 C ATOM 0 H LEU A 50 -6.858 6.261 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.130 6.993 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.328 8.919 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.183 8.499 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.655 8.762 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.846 9.967 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.569 8.405 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.481 9.913 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.765 11.231 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.388 11.158 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.124 10.548 -4.285 1.00 0.00 H new ATOM 766 N VAL A 51 -2.962 6.799 -5.896 1.00 0.00 N ATOM 767 CA VAL A 51 -1.803 6.248 -5.140 1.00 0.00 C ATOM 768 C VAL A 51 -0.609 7.203 -5.195 1.00 0.00 C ATOM 769 O VAL A 51 -0.346 7.841 -6.195 1.00 0.00 O ATOM 770 CB VAL A 51 -1.404 4.903 -5.747 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.211 4.328 -4.982 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.584 3.935 -5.650 1.00 0.00 C ATOM 0 H VAL A 51 -2.730 7.405 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.095 6.121 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.129 5.043 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.072 3.369 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.630 5.018 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.483 4.186 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.303 2.974 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.856 3.797 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.435 4.343 -6.195 1.00 0.00 H new ATOM 782 N ASP A 52 0.126 7.281 -4.119 1.00 0.00 N ATOM 783 CA ASP A 52 1.327 8.162 -4.072 1.00 0.00 C ATOM 784 C ASP A 52 2.436 7.407 -3.337 1.00 0.00 C ATOM 785 O ASP A 52 2.171 6.554 -2.515 1.00 0.00 O ATOM 786 CB ASP A 52 0.994 9.453 -3.320 1.00 0.00 C ATOM 787 CG ASP A 52 -0.292 10.059 -3.886 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.342 9.477 -3.672 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.204 11.097 -4.522 1.00 0.00 O ATOM 0 H ASP A 52 -0.058 6.764 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 52 1.647 8.421 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.873 9.246 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.815 10.163 -3.415 1.00 0.00 H new ATOM 794 N ALA A 53 3.676 7.687 -3.618 1.00 0.00 N ATOM 795 CA ALA A 53 4.749 6.939 -2.911 1.00 0.00 C ATOM 796 C ALA A 53 6.058 7.734 -2.903 1.00 0.00 C ATOM 797 O ALA A 53 6.374 8.453 -3.830 1.00 0.00 O ATOM 798 CB ALA A 53 4.958 5.592 -3.603 1.00 0.00 C ATOM 0 H ALA A 53 3.989 8.386 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 53 4.446 6.781 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.744 5.037 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.031 5.020 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.249 5.757 -4.640 1.00 0.00 H new ATOM 804 N LYS A 54 6.814 7.603 -1.846 1.00 0.00 N ATOM 805 CA LYS A 54 8.109 8.339 -1.735 1.00 0.00 C ATOM 806 C LYS A 54 9.256 7.351 -1.471 1.00 0.00 C ATOM 807 O LYS A 54 9.053 6.234 -1.041 1.00 0.00 O ATOM 808 CB LYS A 54 8.024 9.340 -0.584 1.00 0.00 C ATOM 809 CG LYS A 54 6.799 10.236 -0.776 1.00 0.00 C ATOM 810 CD LYS A 54 7.119 11.651 -0.291 1.00 0.00 C ATOM 811 CE LYS A 54 7.381 11.628 1.216 1.00 0.00 C ATOM 812 NZ LYS A 54 6.086 11.494 1.943 1.00 0.00 N ATOM 0 H LYS A 54 6.588 7.012 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 54 8.302 8.866 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.956 8.812 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.929 9.946 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.512 10.257 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.951 9.834 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.992 12.038 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.289 12.320 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.040 10.797 1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.889 12.543 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.241 11.648 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.412 12.201 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.700 10.540 1.792 1.00 0.00 H new ATOM 826 N SER A 55 10.463 7.758 -1.742 1.00 0.00 N ATOM 827 CA SER A 55 11.636 6.857 -1.539 1.00 0.00 C ATOM 828 C SER A 55 11.625 6.199 -0.149 1.00 0.00 C ATOM 829 O SER A 55 11.679 4.992 -0.031 1.00 0.00 O ATOM 830 CB SER A 55 12.921 7.670 -1.698 1.00 0.00 C ATOM 831 OG SER A 55 12.868 8.805 -0.844 1.00 0.00 O ATOM 0 H SER A 55 10.692 8.686 -2.099 1.00 0.00 H new ATOM 0 HA SER A 55 11.583 6.063 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.787 7.055 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.039 7.986 -2.735 1.00 0.00 H new ATOM 0 HG SER A 55 13.691 9.327 -0.943 1.00 0.00 H new ATOM 837 N SER A 56 11.598 6.970 0.905 1.00 0.00 N ATOM 838 CA SER A 56 11.635 6.358 2.270 1.00 0.00 C ATOM 839 C SER A 56 10.225 6.139 2.821 1.00 0.00 C ATOM 840 O SER A 56 10.040 5.951 4.010 1.00 0.00 O ATOM 841 CB SER A 56 12.403 7.284 3.213 1.00 0.00 C ATOM 842 OG SER A 56 13.128 8.238 2.448 1.00 0.00 O ATOM 0 H SER A 56 11.552 7.989 0.884 1.00 0.00 H new ATOM 0 HA SER A 56 12.129 5.389 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.712 7.791 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.086 6.704 3.834 1.00 0.00 H new ATOM 0 HG SER A 56 13.620 8.834 3.050 1.00 0.00 H new ATOM 848 N THR A 57 9.226 6.154 1.993 1.00 0.00 N ATOM 849 CA THR A 57 7.851 5.944 2.527 1.00 0.00 C ATOM 850 C THR A 57 6.866 5.871 1.371 1.00 0.00 C ATOM 851 O THR A 57 7.251 5.732 0.235 1.00 0.00 O ATOM 852 CB THR A 57 7.497 7.128 3.437 1.00 0.00 C ATOM 853 OG1 THR A 57 6.343 6.827 4.202 1.00 0.00 O ATOM 854 CG2 THR A 57 7.228 8.366 2.585 1.00 0.00 C ATOM 0 H THR A 57 9.294 6.300 0.986 1.00 0.00 H new ATOM 0 HA THR A 57 7.803 5.014 3.093 1.00 0.00 H new ATOM 0 HB THR A 57 8.333 7.318 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.042 5.917 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.977 9.206 3.233 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.118 8.609 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.397 8.168 1.908 1.00 0.00 H new ATOM 862 N THR A 58 5.600 5.979 1.648 1.00 0.00 N ATOM 863 CA THR A 58 4.603 5.943 0.555 1.00 0.00 C ATOM 864 C THR A 58 3.196 5.998 1.141 1.00 0.00 C ATOM 865 O THR A 58 2.946 5.540 2.238 1.00 0.00 O ATOM 866 CB THR A 58 4.749 4.658 -0.261 1.00 0.00 C ATOM 867 OG1 THR A 58 3.945 4.752 -1.426 1.00 0.00 O ATOM 868 CG2 THR A 58 4.286 3.470 0.575 1.00 0.00 C ATOM 0 H THR A 58 5.215 6.091 2.586 1.00 0.00 H new ATOM 0 HA THR A 58 4.772 6.802 -0.094 1.00 0.00 H new ATOM 0 HB THR A 58 5.793 4.520 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.144 4.000 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.390 2.554 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.896 3.399 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.241 3.606 0.854 1.00 0.00 H new ATOM 876 N SER A 59 2.276 6.537 0.403 1.00 0.00 N ATOM 877 CA SER A 59 0.874 6.610 0.884 1.00 0.00 C ATOM 878 C SER A 59 -0.026 6.587 -0.332 1.00 0.00 C ATOM 879 O SER A 59 0.289 7.155 -1.357 1.00 0.00 O ATOM 880 CB SER A 59 0.651 7.894 1.681 1.00 0.00 C ATOM 881 OG SER A 59 1.657 8.007 2.680 1.00 0.00 O ATOM 0 H SER A 59 2.435 6.935 -0.523 1.00 0.00 H new ATOM 0 HA SER A 59 0.653 5.769 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.683 8.758 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.336 7.883 2.142 1.00 0.00 H new ATOM 0 HG SER A 59 1.837 8.954 2.858 1.00 0.00 H new ATOM 887 N ILE A 60 -1.123 5.910 -0.257 1.00 0.00 N ATOM 888 CA ILE A 60 -1.982 5.838 -1.455 1.00 0.00 C ATOM 889 C ILE A 60 -3.409 6.266 -1.123 1.00 0.00 C ATOM 890 O ILE A 60 -3.846 6.231 0.011 1.00 0.00 O ATOM 891 CB ILE A 60 -1.883 4.421 -2.033 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.763 3.443 -1.252 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.426 3.950 -1.917 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.598 2.040 -1.844 1.00 0.00 C ATOM 0 H ILE A 60 -1.460 5.411 0.566 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.644 6.536 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.216 4.445 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.482 3.442 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.807 3.753 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.336 2.943 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.221 4.626 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.127 3.946 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.222 1.337 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.900 2.049 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.554 1.734 -1.770 1.00 0.00 H new ATOM 906 N PHE A 61 -4.091 6.770 -2.111 1.00 0.00 N ATOM 907 CA PHE A 61 -5.452 7.333 -1.900 1.00 0.00 C ATOM 908 C PHE A 61 -6.591 6.398 -2.311 1.00 0.00 C ATOM 909 O PHE A 61 -6.443 5.528 -3.143 1.00 0.00 O ATOM 910 CB PHE A 61 -5.532 8.588 -2.750 1.00 0.00 C ATOM 911 CG PHE A 61 -5.234 9.767 -1.890 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.007 9.845 -1.236 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.181 10.775 -1.744 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.718 10.939 -0.429 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.903 11.875 -0.938 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.667 11.963 -0.274 1.00 0.00 C ATOM 0 H PHE A 61 -3.756 6.816 -3.073 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.581 7.512 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.821 8.532 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.524 8.683 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.280 9.055 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.130 10.704 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.766 11.002 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.636 12.660 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.448 12.815 0.353 1.00 0.00 H new ATOM 926 N PHE A 62 -7.751 6.635 -1.733 1.00 0.00 N ATOM 927 CA PHE A 62 -8.971 5.840 -2.064 1.00 0.00 C ATOM 928 C PHE A 62 -10.189 6.774 -2.111 1.00 0.00 C ATOM 929 O PHE A 62 -11.222 6.435 -1.571 1.00 0.00 O ATOM 930 CB PHE A 62 -9.282 4.815 -0.973 1.00 0.00 C ATOM 931 CG PHE A 62 -8.144 3.858 -0.736 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.882 4.328 -0.364 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.371 2.484 -0.866 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.846 3.422 -0.123 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.336 1.579 -0.627 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.072 2.046 -0.255 1.00 0.00 C ATOM 0 H PHE A 62 -7.900 7.362 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.782 5.345 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.512 5.337 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.173 4.252 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.708 5.389 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.348 2.123 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.870 3.783 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.511 0.518 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.270 1.346 -0.070 1.00 0.00 H new ATOM 946 N PRO A 63 -10.057 7.909 -2.749 1.00 0.00 N ATOM 947 CA PRO A 63 -11.166 8.874 -2.863 1.00 0.00 C ATOM 948 C PRO A 63 -12.308 8.249 -3.657 1.00 0.00 C ATOM 949 O PRO A 63 -13.422 8.734 -3.668 1.00 0.00 O ATOM 950 CB PRO A 63 -10.533 10.077 -3.570 1.00 0.00 C ATOM 951 CG PRO A 63 -9.273 9.532 -4.270 1.00 0.00 C ATOM 952 CD PRO A 63 -8.824 8.329 -3.428 1.00 0.00 C ATOM 0 HA PRO A 63 -11.605 9.168 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.223 10.515 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.277 10.860 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.492 9.234 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.492 10.291 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.417 7.532 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.047 8.605 -2.715 1.00 0.00 H new ATOM 960 N SER A 64 -12.034 7.151 -4.294 1.00 0.00 N ATOM 961 CA SER A 64 -13.086 6.440 -5.067 1.00 0.00 C ATOM 962 C SER A 64 -13.222 5.017 -4.513 1.00 0.00 C ATOM 963 O SER A 64 -13.259 4.058 -5.258 1.00 0.00 O ATOM 964 CB SER A 64 -12.682 6.374 -6.542 1.00 0.00 C ATOM 965 OG SER A 64 -11.835 7.474 -6.846 1.00 0.00 O ATOM 0 H SER A 64 -11.115 6.709 -4.313 1.00 0.00 H new ATOM 0 HA SER A 64 -14.035 6.970 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.167 5.436 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.569 6.397 -7.175 1.00 0.00 H new ATOM 0 HG SER A 64 -11.573 7.434 -7.789 1.00 0.00 H new ATOM 971 N ALA A 65 -13.286 4.862 -3.210 1.00 0.00 N ATOM 972 CA ALA A 65 -13.405 3.491 -2.640 1.00 0.00 C ATOM 973 C ALA A 65 -14.860 3.044 -2.663 1.00 0.00 C ATOM 974 O ALA A 65 -15.767 3.815 -2.399 1.00 0.00 O ATOM 975 CB ALA A 65 -12.906 3.471 -1.199 1.00 0.00 C ATOM 0 H ALA A 65 -13.261 5.620 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.800 2.814 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.999 2.463 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.860 3.778 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.501 4.158 -0.598 1.00 0.00 H new ATOM 981 N LYS A 66 -15.075 1.794 -2.965 1.00 0.00 N ATOM 982 CA LYS A 66 -16.459 1.247 -3.013 1.00 0.00 C ATOM 983 C LYS A 66 -16.440 -0.215 -2.563 1.00 0.00 C ATOM 984 O LYS A 66 -15.395 -0.788 -2.337 1.00 0.00 O ATOM 985 CB LYS A 66 -16.992 1.333 -4.445 1.00 0.00 C ATOM 986 CG LYS A 66 -17.756 2.646 -4.628 1.00 0.00 C ATOM 987 CD LYS A 66 -17.968 2.910 -6.120 1.00 0.00 C ATOM 988 CE LYS A 66 -16.635 3.296 -6.765 1.00 0.00 C ATOM 989 NZ LYS A 66 -16.246 2.258 -7.761 1.00 0.00 N ATOM 0 H LYS A 66 -14.341 1.120 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.104 1.825 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.167 1.278 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.647 0.487 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.717 2.594 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.200 3.468 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.374 2.021 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.696 3.709 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.722 4.268 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.863 3.390 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.275 2.437 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.295 1.318 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.896 2.294 -8.572 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.586 -0.821 -2.429 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.632 -2.245 -1.990 1.00 0.00 C ATOM 1005 C ARG A 67 -16.556 -3.050 -2.726 1.00 0.00 C ATOM 1006 O ARG A 67 -15.834 -3.825 -2.132 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.010 -2.829 -2.306 1.00 0.00 C ATOM 1008 CG ARG A 67 -18.985 -4.343 -2.092 1.00 0.00 C ATOM 1009 CD ARG A 67 -19.278 -5.051 -3.415 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.059 -6.292 -3.150 1.00 0.00 N ATOM 1011 CZ ARG A 67 -19.833 -7.367 -3.853 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.057 -7.366 -5.139 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -19.384 -8.445 -3.271 1.00 0.00 N ATOM 0 H ARG A 67 -18.495 -0.392 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.449 -2.297 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.765 -2.373 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.286 -2.601 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.011 -4.651 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.725 -4.627 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.838 -4.391 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.345 -5.297 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.770 -6.301 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.409 -6.524 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -19.880 -8.207 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.210 -8.447 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.207 -9.286 -3.821 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.453 -2.881 -4.015 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.438 -3.641 -4.794 1.00 0.00 C ATOM 1029 C ALA A 68 -14.034 -3.379 -4.238 1.00 0.00 C ATOM 1030 O ALA A 68 -13.230 -4.281 -4.112 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.491 -3.201 -6.258 1.00 0.00 C ATOM 0 H ALA A 68 -17.032 -2.246 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.657 -4.706 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.749 -3.756 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.484 -3.399 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.278 -2.134 -6.325 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.729 -2.152 -3.913 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.373 -1.835 -3.376 1.00 0.00 C ATOM 1039 C ASP A 69 -11.965 -2.879 -2.334 1.00 0.00 C ATOM 1040 O ASP A 69 -10.795 -3.103 -2.094 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.394 -0.451 -2.722 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.139 0.620 -3.784 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.939 0.721 -4.700 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.148 1.322 -3.662 1.00 0.00 O ATOM 0 H ASP A 69 -14.360 -1.355 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.655 -1.845 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.357 -0.279 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.634 -0.394 -1.943 1.00 0.00 H new ATOM 1049 N SER A 70 -12.917 -3.514 -1.707 1.00 0.00 N ATOM 1050 CA SER A 70 -12.579 -4.537 -0.675 1.00 0.00 C ATOM 1051 C SER A 70 -11.536 -5.513 -1.228 1.00 0.00 C ATOM 1052 O SER A 70 -11.868 -6.522 -1.818 1.00 0.00 O ATOM 1053 CB SER A 70 -13.842 -5.308 -0.292 1.00 0.00 C ATOM 1054 OG SER A 70 -13.482 -6.613 0.143 1.00 0.00 O ATOM 0 H SER A 70 -13.914 -3.369 -1.864 1.00 0.00 H new ATOM 0 HA SER A 70 -12.171 -4.037 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.377 -4.783 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.517 -5.370 -1.146 1.00 0.00 H new ATOM 0 HG SER A 70 -13.101 -7.115 -0.608 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.276 -5.223 -1.039 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.214 -6.136 -1.549 1.00 0.00 C ATOM 1062 C GLY A 71 -8.045 -6.172 -0.559 1.00 0.00 C ATOM 1063 O GLY A 71 -7.951 -5.357 0.342 1.00 0.00 O ATOM 0 H GLY A 71 -9.937 -4.393 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.618 -7.139 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.867 -5.796 -2.525 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.150 -7.108 -0.723 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.986 -7.196 0.200 1.00 0.00 C ATOM 1069 C ASN A 72 -4.852 -6.332 -0.349 1.00 0.00 C ATOM 1070 O ASN A 72 -4.004 -6.799 -1.082 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.520 -8.650 0.300 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.737 -9.577 0.308 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.749 -9.266 0.905 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.683 -10.711 -0.336 1.00 0.00 N ATOM 0 H ASN A 72 -7.176 -7.815 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.273 -6.843 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.870 -8.893 -0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.934 -8.794 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.490 -11.335 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.834 -10.973 -0.837 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.830 -5.076 0.003 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.754 -4.178 -0.498 1.00 0.00 C ATOM 1083 C TYR A 73 -2.417 -4.635 0.074 1.00 0.00 C ATOM 1084 O TYR A 73 -2.021 -4.227 1.143 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.040 -2.745 -0.050 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.024 -2.114 -1.003 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.027 -2.894 -1.590 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.929 -0.753 -1.306 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -6.935 -2.312 -2.479 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.836 -0.171 -2.199 1.00 0.00 C ATOM 1091 CZ TYR A 73 -6.840 -0.950 -2.785 1.00 0.00 C ATOM 1092 OH TYR A 73 -7.734 -0.376 -3.665 1.00 0.00 O ATOM 0 H TYR A 73 -5.513 -4.633 0.617 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.718 -4.215 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.443 -2.742 0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.116 -2.167 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.099 -3.946 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.156 -0.151 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.710 -2.914 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.761 0.880 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.431 0.096 -3.162 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.714 -5.474 -0.630 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.403 -5.948 -0.111 1.00 0.00 C ATOM 1104 C LYS A 74 0.710 -5.105 -0.719 1.00 0.00 C ATOM 1105 O LYS A 74 0.962 -5.153 -1.905 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.196 -7.417 -0.481 1.00 0.00 C ATOM 1107 CG LYS A 74 1.001 -7.968 0.297 1.00 0.00 C ATOM 1108 CD LYS A 74 0.513 -8.964 1.351 1.00 0.00 C ATOM 1109 CE LYS A 74 1.483 -10.145 1.423 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.540 -10.658 2.821 1.00 0.00 N ATOM 0 H LYS A 74 -1.988 -5.851 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.386 -5.851 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.092 -7.993 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.024 -7.514 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.697 -8.456 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.543 -7.153 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.444 -8.476 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.487 -9.316 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.160 -10.937 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.476 -9.834 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.199 -11.461 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.868 -9.902 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.593 -10.970 3.115 1.00 0.00 H new ATOM 1124 N LEU A 75 1.375 -4.324 0.081 1.00 0.00 N ATOM 1125 CA LEU A 75 2.464 -3.470 -0.458 1.00 0.00 C ATOM 1126 C LEU A 75 3.813 -4.156 -0.225 1.00 0.00 C ATOM 1127 O LEU A 75 4.030 -4.799 0.782 1.00 0.00 O ATOM 1128 CB LEU A 75 2.426 -2.114 0.254 1.00 0.00 C ATOM 1129 CG LEU A 75 3.729 -1.355 0.013 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.444 -0.068 -0.752 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.363 -1.012 1.360 1.00 0.00 C ATOM 0 H LEU A 75 1.211 -4.240 1.084 1.00 0.00 H new ATOM 0 HA LEU A 75 2.330 -3.319 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.582 -1.528 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.275 -2.261 1.323 1.00 0.00 H new ATOM 0 HG LEU A 75 4.408 -1.976 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.377 0.469 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.985 -0.309 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.765 0.557 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.294 -0.470 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.678 -0.391 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.570 -1.931 1.909 1.00 0.00 H new ATOM 1143 N LYS A 76 4.722 -4.024 -1.153 1.00 0.00 N ATOM 1144 CA LYS A 76 6.059 -4.665 -0.986 1.00 0.00 C ATOM 1145 C LYS A 76 7.134 -3.741 -1.563 1.00 0.00 C ATOM 1146 O LYS A 76 7.148 -3.456 -2.743 1.00 0.00 O ATOM 1147 CB LYS A 76 6.080 -6.003 -1.728 1.00 0.00 C ATOM 1148 CG LYS A 76 7.248 -6.850 -1.220 1.00 0.00 C ATOM 1149 CD LYS A 76 7.794 -7.706 -2.365 1.00 0.00 C ATOM 1150 CE LYS A 76 8.672 -8.822 -1.795 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.825 -9.902 -2.809 1.00 0.00 N ATOM 0 H LYS A 76 4.597 -3.500 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 76 6.255 -4.838 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.139 -6.532 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.178 -5.835 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.034 -6.206 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.919 -7.488 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.971 -8.133 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.373 -7.088 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.650 -8.426 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.224 -9.223 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.422 -10.660 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.889 -10.287 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.271 -9.514 -3.665 1.00 0.00 H new ATOM 1165 N VAL A 77 8.032 -3.264 -0.742 1.00 0.00 N ATOM 1166 CA VAL A 77 9.094 -2.353 -1.257 1.00 0.00 C ATOM 1167 C VAL A 77 10.430 -3.101 -1.321 1.00 0.00 C ATOM 1168 O VAL A 77 10.677 -4.013 -0.560 1.00 0.00 O ATOM 1169 CB VAL A 77 9.194 -1.117 -0.344 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.808 -0.792 0.215 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.145 -1.376 0.828 1.00 0.00 C ATOM 0 H VAL A 77 8.076 -3.465 0.257 1.00 0.00 H new ATOM 0 HA VAL A 77 8.842 -2.020 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 77 9.578 -0.285 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.873 0.083 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.123 -0.585 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.439 -1.642 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.198 -0.487 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.777 -2.216 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.139 -1.609 0.446 1.00 0.00 H new ATOM 1181 N LYS A 78 11.289 -2.733 -2.234 1.00 0.00 N ATOM 1182 CA LYS A 78 12.600 -3.440 -2.349 1.00 0.00 C ATOM 1183 C LYS A 78 13.708 -2.444 -2.705 1.00 0.00 C ATOM 1184 O LYS A 78 13.467 -1.265 -2.863 1.00 0.00 O ATOM 1185 CB LYS A 78 12.504 -4.504 -3.444 1.00 0.00 C ATOM 1186 CG LYS A 78 11.680 -3.962 -4.614 1.00 0.00 C ATOM 1187 CD LYS A 78 10.297 -4.617 -4.612 1.00 0.00 C ATOM 1188 CE LYS A 78 10.452 -6.139 -4.620 1.00 0.00 C ATOM 1189 NZ LYS A 78 9.702 -6.709 -5.774 1.00 0.00 N ATOM 0 H LYS A 78 11.142 -1.977 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 78 12.838 -3.909 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.502 -4.780 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.041 -5.408 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.581 -2.880 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.189 -4.166 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.736 -4.303 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.729 -4.294 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.506 -6.407 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.077 -6.558 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.807 -7.744 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.695 -6.464 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.079 -6.318 -6.661 1.00 0.00 H new ATOM 1203 N ASN A 79 14.926 -2.909 -2.833 1.00 0.00 N ATOM 1204 CA ASN A 79 16.042 -1.981 -3.181 1.00 0.00 C ATOM 1205 C ASN A 79 17.369 -2.745 -3.239 1.00 0.00 C ATOM 1206 O ASN A 79 17.850 -3.244 -2.245 1.00 0.00 O ATOM 1207 CB ASN A 79 16.146 -0.888 -2.119 1.00 0.00 C ATOM 1208 CG ASN A 79 16.016 -1.511 -0.731 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.273 -2.684 -0.552 1.00 0.00 O ATOM 1210 ND2 ASN A 79 15.626 -0.768 0.268 1.00 0.00 N ATOM 0 H ASN A 79 15.193 -3.886 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 79 15.838 -1.538 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.101 -0.369 -2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.364 -0.144 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.537 -1.173 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.410 0.217 0.117 1.00 0.00 H new ATOM 1217 N GLU A 80 17.972 -2.819 -4.394 1.00 0.00 N ATOM 1218 CA GLU A 80 19.277 -3.529 -4.517 1.00 0.00 C ATOM 1219 C GLU A 80 19.107 -5.016 -4.184 1.00 0.00 C ATOM 1220 O GLU A 80 18.899 -5.833 -5.058 1.00 0.00 O ATOM 1221 CB GLU A 80 20.286 -2.898 -3.557 1.00 0.00 C ATOM 1222 CG GLU A 80 21.619 -3.643 -3.650 1.00 0.00 C ATOM 1223 CD GLU A 80 22.620 -2.803 -4.445 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.809 -1.651 -4.091 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.181 -3.326 -5.394 1.00 0.00 O ATOM 0 H GLU A 80 17.616 -2.417 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 80 19.638 -3.440 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.428 -1.846 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.906 -2.938 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.007 -3.841 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.475 -4.609 -4.133 1.00 0.00 H new ATOM 1232 N LEU A 81 19.198 -5.377 -2.931 1.00 0.00 N ATOM 1233 CA LEU A 81 19.044 -6.816 -2.564 1.00 0.00 C ATOM 1234 C LEU A 81 18.197 -6.952 -1.296 1.00 0.00 C ATOM 1235 O LEU A 81 17.998 -8.037 -0.786 1.00 0.00 O ATOM 1236 CB LEU A 81 20.430 -7.459 -2.361 1.00 0.00 C ATOM 1237 CG LEU A 81 21.035 -7.086 -0.996 1.00 0.00 C ATOM 1238 CD1 LEU A 81 20.814 -5.603 -0.700 1.00 0.00 C ATOM 1239 CD2 LEU A 81 20.392 -7.932 0.106 1.00 0.00 C ATOM 0 H LEU A 81 19.371 -4.743 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 81 18.534 -7.336 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.343 -8.543 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.101 -7.137 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 81 22.107 -7.282 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.248 -5.357 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.291 -5.002 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.745 -5.391 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.824 -7.663 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.318 -7.748 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.575 -8.988 -0.092 1.00 0.00 H new ATOM 1251 N GLY A 82 17.682 -5.866 -0.791 1.00 0.00 N ATOM 1252 CA GLY A 82 16.839 -5.942 0.433 1.00 0.00 C ATOM 1253 C GLY A 82 15.414 -5.523 0.078 1.00 0.00 C ATOM 1254 O GLY A 82 15.198 -4.734 -0.822 1.00 0.00 O ATOM 0 H GLY A 82 17.809 -4.929 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.845 -6.956 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.241 -5.291 1.209 1.00 0.00 H new ATOM 1258 N GLU A 83 14.435 -6.043 0.764 1.00 0.00 N ATOM 1259 CA GLU A 83 13.035 -5.661 0.439 1.00 0.00 C ATOM 1260 C GLU A 83 12.091 -6.071 1.567 1.00 0.00 C ATOM 1261 O GLU A 83 12.197 -7.141 2.131 1.00 0.00 O ATOM 1262 CB GLU A 83 12.608 -6.352 -0.855 1.00 0.00 C ATOM 1263 CG GLU A 83 12.884 -7.854 -0.749 1.00 0.00 C ATOM 1264 CD GLU A 83 13.122 -8.431 -2.146 1.00 0.00 C ATOM 1265 OE1 GLU A 83 14.235 -8.316 -2.631 1.00 0.00 O ATOM 1266 OE2 GLU A 83 12.187 -8.978 -2.706 1.00 0.00 O ATOM 0 H GLU A 83 14.543 -6.710 1.528 1.00 0.00 H new ATOM 0 HA GLU A 83 12.987 -4.579 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.548 -6.179 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.151 -5.931 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.755 -8.030 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.041 -8.357 -0.276 1.00 0.00 H new ATOM 1273 N ASP A 84 11.156 -5.220 1.885 1.00 0.00 N ATOM 1274 CA ASP A 84 10.178 -5.534 2.960 1.00 0.00 C ATOM 1275 C ASP A 84 8.766 -5.405 2.384 1.00 0.00 C ATOM 1276 O ASP A 84 8.590 -5.220 1.196 1.00 0.00 O ATOM 1277 CB ASP A 84 10.358 -4.552 4.117 1.00 0.00 C ATOM 1278 CG ASP A 84 10.323 -3.120 3.581 1.00 0.00 C ATOM 1279 OD1 ASP A 84 9.399 -2.804 2.849 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.221 -2.362 3.912 1.00 0.00 O ATOM 0 H ASP A 84 11.028 -4.311 1.440 1.00 0.00 H new ATOM 0 HA ASP A 84 10.337 -6.547 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.569 -4.695 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.305 -4.739 4.623 1.00 0.00 H new ATOM 1285 N GLU A 85 7.756 -5.509 3.203 1.00 0.00 N ATOM 1286 CA GLU A 85 6.374 -5.402 2.672 1.00 0.00 C ATOM 1287 C GLU A 85 5.374 -5.238 3.822 1.00 0.00 C ATOM 1288 O GLU A 85 5.564 -5.757 4.904 1.00 0.00 O ATOM 1289 CB GLU A 85 6.068 -6.673 1.875 1.00 0.00 C ATOM 1290 CG GLU A 85 5.537 -7.776 2.799 1.00 0.00 C ATOM 1291 CD GLU A 85 5.231 -9.029 1.976 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.232 -8.929 0.760 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.002 -10.066 2.575 1.00 0.00 O ATOM 0 H GLU A 85 7.829 -5.662 4.209 1.00 0.00 H new ATOM 0 HA GLU A 85 6.287 -4.528 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.333 -6.455 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.970 -7.018 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.273 -8.005 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.637 -7.435 3.310 1.00 0.00 H new ATOM 1300 N ALA A 86 4.307 -4.527 3.587 1.00 0.00 N ATOM 1301 CA ALA A 86 3.287 -4.332 4.651 1.00 0.00 C ATOM 1302 C ALA A 86 1.940 -4.861 4.154 1.00 0.00 C ATOM 1303 O ALA A 86 1.476 -4.504 3.086 1.00 0.00 O ATOM 1304 CB ALA A 86 3.165 -2.842 4.973 1.00 0.00 C ATOM 0 H ALA A 86 4.098 -4.071 2.699 1.00 0.00 H new ATOM 0 HA ALA A 86 3.584 -4.871 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.417 -2.698 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.127 -2.465 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.863 -2.300 4.077 1.00 0.00 H new ATOM 1310 N ILE A 87 1.310 -5.715 4.914 1.00 0.00 N ATOM 1311 CA ILE A 87 -0.001 -6.269 4.480 1.00 0.00 C ATOM 1312 C ILE A 87 -1.119 -5.289 4.845 1.00 0.00 C ATOM 1313 O ILE A 87 -1.348 -4.991 6.000 1.00 0.00 O ATOM 1314 CB ILE A 87 -0.243 -7.618 5.169 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.348 -8.377 4.429 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.667 -7.394 6.622 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.665 -7.606 4.542 1.00 0.00 C ATOM 0 H ILE A 87 1.647 -6.052 5.816 1.00 0.00 H new ATOM 0 HA ILE A 87 0.007 -6.416 3.400 1.00 0.00 H new ATOM 0 HB ILE A 87 0.679 -8.199 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.077 -8.503 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.462 -9.376 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.837 -8.357 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.120 -6.857 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.586 -6.809 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.450 -8.148 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.938 -7.503 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.547 -6.617 4.100 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.819 -4.794 3.863 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.931 -3.838 4.137 1.00 0.00 C ATOM 1331 C PHE A 88 -4.236 -4.415 3.586 1.00 0.00 C ATOM 1332 O PHE A 88 -4.566 -4.237 2.430 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.651 -2.496 3.451 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.353 -1.918 3.961 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.270 -1.434 5.271 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.235 -1.861 3.121 1.00 0.00 C ATOM 1337 CE1 PHE A 88 -0.068 -0.895 5.742 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.967 -1.323 3.592 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.051 -0.840 4.903 1.00 0.00 C ATOM 0 H PHE A 88 -1.669 -5.011 2.878 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.012 -3.683 5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.598 -2.634 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.469 -1.802 3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.133 -1.476 5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.300 -2.232 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.003 -0.521 6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.830 -1.280 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.979 -0.425 5.267 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.992 -5.091 4.403 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.279 -5.659 3.916 1.00 0.00 C ATOM 1351 C GLU A 89 -7.306 -4.535 3.894 1.00 0.00 C ATOM 1352 O GLU A 89 -7.844 -4.158 4.912 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.749 -6.768 4.861 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.555 -7.803 4.073 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.590 -9.121 4.849 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.434 -9.251 5.720 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -6.772 -9.978 4.558 1.00 0.00 O ATOM 0 H GLU A 89 -4.776 -5.275 5.383 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.154 -6.083 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.891 -7.244 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.360 -6.346 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.569 -7.440 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.107 -7.958 3.092 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.566 -3.974 2.748 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.536 -2.852 2.687 1.00 0.00 C ATOM 1366 C VAL A 90 -9.940 -3.387 2.426 1.00 0.00 C ATOM 1367 O VAL A 90 -10.191 -4.051 1.442 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.115 -1.901 1.570 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.007 -0.660 1.583 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.659 -1.487 1.798 1.00 0.00 C ATOM 0 H VAL A 90 -7.151 -4.243 1.856 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.546 -2.319 3.638 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.214 -2.399 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.702 0.016 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.045 -0.956 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.911 -0.153 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.346 -0.807 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.570 -0.987 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.023 -2.372 1.788 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.863 -3.097 3.301 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.250 -3.584 3.095 1.00 0.00 C ATOM 1382 C ILE A 91 -13.184 -2.389 2.931 1.00 0.00 C ATOM 1383 O ILE A 91 -12.841 -1.265 3.255 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.702 -4.413 4.293 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.935 -5.739 4.316 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.199 -4.690 4.160 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.799 -6.225 5.760 1.00 0.00 C ATOM 0 H ILE A 91 -10.715 -2.546 4.146 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.278 -4.206 2.200 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.505 -3.870 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.459 -6.485 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.949 -5.609 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.536 -5.282 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.743 -3.746 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.387 -5.240 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.253 -7.168 5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.257 -5.482 6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.790 -6.372 6.189 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.360 -2.623 2.422 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.316 -1.506 2.220 1.00 0.00 C ATOM 1401 C VAL A 92 -16.680 -1.882 2.801 1.00 0.00 C ATOM 1402 O VAL A 92 -17.094 -3.023 2.754 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.448 -1.230 0.724 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.114 0.130 0.509 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.053 -1.220 0.091 1.00 0.00 C ATOM 0 H VAL A 92 -14.699 -3.542 2.137 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.951 -0.613 2.727 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.058 -2.006 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.207 0.325 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.104 0.126 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.506 0.910 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.140 -1.023 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.448 -0.441 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.577 -2.189 0.244 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.380 -0.929 3.351 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.716 -1.229 3.937 1.00 0.00 C ATOM 1417 C GLN A 93 -19.706 -0.132 3.538 1.00 0.00 C ATOM 1418 O GLN A 93 -20.807 -0.471 3.137 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.603 -1.285 5.461 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.990 -2.681 5.952 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.519 -2.591 7.385 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -20.564 -3.127 7.694 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -18.836 -1.930 8.279 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.346 1.029 3.641 1.00 0.00 O ATOM 0 H GLN A 93 -17.084 0.045 3.420 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.069 -2.190 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.584 -1.049 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.254 -0.536 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.750 -3.110 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.126 -3.344 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.958 -1.480 8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -19.180 -1.864 9.237 1.00 0.00 H new TER 1433 GLN A 93