USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -158:sc= -0.702 (180deg=-1.19) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= -1.89 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= -0.216 (180deg=-0.262) USER MOD Single : A 7 THR OG1 : rot -118:sc= -0.78! USER MOD Single : A 9 SER OG : rot -45:sc= 1.68 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 24:sc= 0.598 USER MOD Single : A 20 HIS : no HE2:sc= -15.6! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -2.08! C(o=-2.1!,f=-8.8!) 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 73:sc= 0.8 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 142:sc= -3.41! USER MOD Single : A 58 THR OG1 : rot 176:sc= -5.13! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.768 (180deg=-1.63) USER MOD Single : A 70 SER OG : rot -18:sc= 0.604! USER MOD Single : A 72 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.3!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.206! C(o=-2.8!,f=-0.21!) USER MOD Single : A 93 GLN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.916 -0.500 1.823 1.00 0.00 N ATOM 23 CA LYS A 2 17.799 -1.486 1.853 1.00 0.00 C ATOM 24 C LYS A 2 16.671 -0.958 2.745 1.00 0.00 C ATOM 25 O LYS A 2 16.921 -0.382 3.785 1.00 0.00 O ATOM 26 CB LYS A 2 18.308 -2.817 2.410 1.00 0.00 C ATOM 27 CG LYS A 2 18.860 -2.603 3.821 1.00 0.00 C ATOM 28 CD LYS A 2 19.445 -3.917 4.345 1.00 0.00 C ATOM 29 CE LYS A 2 18.330 -4.957 4.474 1.00 0.00 C ATOM 30 NZ LYS A 2 18.829 -6.128 5.249 1.00 0.00 N ATOM 0 HA LYS A 2 17.421 -1.635 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.499 -3.547 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.085 -3.221 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.628 -1.830 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.068 -2.255 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.218 -4.279 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.920 -3.756 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.466 -4.519 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.000 -5.276 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.071 -6.835 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.641 -6.550 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.124 -5.817 6.197 1.00 0.00 H new ATOM 44 N PRO A 3 15.459 -1.174 2.303 1.00 0.00 N ATOM 45 CA PRO A 3 14.309 -0.337 2.687 1.00 0.00 C ATOM 46 C PRO A 3 13.802 -0.730 4.077 1.00 0.00 C ATOM 47 O PRO A 3 13.350 -1.837 4.292 1.00 0.00 O ATOM 48 CB PRO A 3 13.260 -0.661 1.620 1.00 0.00 C ATOM 49 CG PRO A 3 13.637 -2.048 1.047 1.00 0.00 C ATOM 50 CD PRO A 3 15.124 -2.274 1.377 1.00 0.00 C ATOM 0 HA PRO A 3 14.551 0.725 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.259 -0.678 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.257 0.096 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.019 -2.830 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.470 -2.080 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.286 -3.248 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.741 -2.241 0.479 1.00 0.00 H new ATOM 58 N LYS A 4 13.863 0.168 5.022 1.00 0.00 N ATOM 59 CA LYS A 4 13.376 -0.160 6.388 1.00 0.00 C ATOM 60 C LYS A 4 11.888 0.175 6.477 1.00 0.00 C ATOM 61 O LYS A 4 11.505 1.181 7.040 1.00 0.00 O ATOM 62 CB LYS A 4 14.147 0.661 7.423 1.00 0.00 C ATOM 63 CG LYS A 4 15.635 0.669 7.066 1.00 0.00 C ATOM 64 CD LYS A 4 16.458 0.970 8.321 1.00 0.00 C ATOM 65 CE LYS A 4 16.686 2.479 8.434 1.00 0.00 C ATOM 66 NZ LYS A 4 15.670 3.068 9.352 1.00 0.00 N ATOM 0 H LYS A 4 14.229 1.113 4.906 1.00 0.00 H new ATOM 0 HA LYS A 4 13.531 -1.220 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.764 1.681 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.003 0.239 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.926 -0.296 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.832 1.419 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.938 0.603 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 4 17.415 0.450 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.690 2.679 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.615 2.943 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.876 4.077 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.723 2.964 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.701 2.575 10.267 1.00 0.00 H new ATOM 80 N ILE A 5 11.051 -0.661 5.919 1.00 0.00 N ATOM 81 CA ILE A 5 9.583 -0.403 5.963 1.00 0.00 C ATOM 82 C ILE A 5 9.066 -0.699 7.374 1.00 0.00 C ATOM 83 O ILE A 5 9.172 -1.806 7.863 1.00 0.00 O ATOM 84 CB ILE A 5 8.885 -1.299 4.929 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.518 -0.710 4.573 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.699 -2.710 5.493 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.366 -0.648 3.052 1.00 0.00 C ATOM 0 H ILE A 5 11.324 -1.515 5.433 1.00 0.00 H new ATOM 0 HA ILE A 5 9.372 0.639 5.723 1.00 0.00 H new ATOM 0 HB ILE A 5 9.505 -1.350 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.724 -1.321 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.419 0.288 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.203 -3.336 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.673 -3.136 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.089 -2.664 6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.392 -0.228 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.151 -0.019 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.446 -1.653 2.637 1.00 0.00 H new ATOM 99 N LEU A 6 8.528 0.287 8.041 1.00 0.00 N ATOM 100 CA LEU A 6 8.031 0.060 9.427 1.00 0.00 C ATOM 101 C LEU A 6 6.516 0.275 9.500 1.00 0.00 C ATOM 102 O LEU A 6 5.914 0.067 10.535 1.00 0.00 O ATOM 103 CB LEU A 6 8.728 1.033 10.379 1.00 0.00 C ATOM 104 CG LEU A 6 9.763 0.276 11.212 1.00 0.00 C ATOM 105 CD1 LEU A 6 11.144 0.901 11.003 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.384 0.361 12.692 1.00 0.00 C ATOM 0 H LEU A 6 8.412 1.236 7.687 1.00 0.00 H new ATOM 0 HA LEU A 6 8.252 -0.968 9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.212 1.829 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.996 1.507 11.032 1.00 0.00 H new ATOM 0 HG LEU A 6 9.787 -0.768 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.881 0.361 11.597 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.414 0.842 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.122 1.945 11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.121 -0.178 13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.361 1.406 13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.400 -0.084 12.842 1.00 0.00 H new ATOM 118 N THR A 7 5.897 0.694 8.422 1.00 0.00 N ATOM 119 CA THR A 7 4.416 0.921 8.445 1.00 0.00 C ATOM 120 C THR A 7 3.737 -0.140 9.318 1.00 0.00 C ATOM 121 O THR A 7 4.049 -1.312 9.245 1.00 0.00 O ATOM 122 CB THR A 7 3.860 0.832 7.023 1.00 0.00 C ATOM 123 OG1 THR A 7 2.462 0.587 7.080 1.00 0.00 O ATOM 124 CG2 THR A 7 4.549 -0.307 6.272 1.00 0.00 C ATOM 0 H THR A 7 6.351 0.888 7.530 1.00 0.00 H new ATOM 0 HA THR A 7 4.217 1.910 8.857 1.00 0.00 H new ATOM 0 HB THR A 7 4.045 1.770 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.263 -0.272 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.151 -0.368 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.622 -0.118 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.366 -1.248 6.791 1.00 0.00 H new ATOM 132 N ALA A 8 2.817 0.266 10.151 1.00 0.00 N ATOM 133 CA ALA A 8 2.122 -0.710 11.040 1.00 0.00 C ATOM 134 C ALA A 8 1.697 -1.940 10.244 1.00 0.00 C ATOM 135 O ALA A 8 2.056 -3.057 10.559 1.00 0.00 O ATOM 136 CB ALA A 8 0.886 -0.048 11.652 1.00 0.00 C ATOM 0 H ALA A 8 2.516 1.235 10.255 1.00 0.00 H new ATOM 0 HA ALA A 8 2.806 -1.019 11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.377 -0.759 12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.190 0.822 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.210 0.266 10.857 1.00 0.00 H new ATOM 142 N SER A 9 0.934 -1.737 9.220 1.00 0.00 N ATOM 143 CA SER A 9 0.469 -2.882 8.389 1.00 0.00 C ATOM 144 C SER A 9 -0.510 -3.736 9.195 1.00 0.00 C ATOM 145 O SER A 9 -0.215 -4.175 10.289 1.00 0.00 O ATOM 146 CB SER A 9 1.675 -3.723 7.978 1.00 0.00 C ATOM 147 OG SER A 9 1.766 -4.864 8.822 1.00 0.00 O ATOM 0 H SER A 9 0.606 -0.821 8.915 1.00 0.00 H new ATOM 0 HA SER A 9 -0.036 -2.510 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.578 -4.034 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.587 -3.130 8.050 1.00 0.00 H new ATOM 0 HG SER A 9 1.632 -4.593 9.754 1.00 0.00 H new ATOM 153 N ARG A 10 -1.677 -3.970 8.661 1.00 0.00 N ATOM 154 CA ARG A 10 -2.683 -4.788 9.391 1.00 0.00 C ATOM 155 C ARG A 10 -3.963 -4.872 8.564 1.00 0.00 C ATOM 156 O ARG A 10 -4.151 -5.771 7.768 1.00 0.00 O ATOM 157 CB ARG A 10 -2.981 -4.130 10.739 1.00 0.00 C ATOM 158 CG ARG A 10 -4.166 -4.833 11.403 1.00 0.00 C ATOM 159 CD ARG A 10 -4.406 -4.229 12.788 1.00 0.00 C ATOM 160 NE ARG A 10 -5.871 -4.130 13.042 1.00 0.00 N ATOM 161 CZ ARG A 10 -6.394 -2.993 13.412 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.115 -1.902 12.753 1.00 0.00 N ATOM 163 NH2 ARG A 10 -7.194 -2.947 14.442 1.00 0.00 N ATOM 0 H ARG A 10 -1.977 -3.628 7.748 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.295 -5.793 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.104 -4.186 11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.205 -3.073 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.059 -4.724 10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.967 -5.901 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.935 -4.847 13.552 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.948 -3.242 12.850 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.465 -4.951 12.927 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.488 -1.938 11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.524 -1.013 13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.411 -3.800 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.603 -2.058 14.731 1.00 0.00 H new ATOM 177 N LYS A 11 -4.840 -3.933 8.745 1.00 0.00 N ATOM 178 CA LYS A 11 -6.116 -3.935 7.974 1.00 0.00 C ATOM 179 C LYS A 11 -6.669 -2.512 7.897 1.00 0.00 C ATOM 180 O LYS A 11 -6.012 -1.557 8.262 1.00 0.00 O ATOM 181 CB LYS A 11 -7.139 -4.838 8.664 1.00 0.00 C ATOM 182 CG LYS A 11 -7.386 -4.334 10.087 1.00 0.00 C ATOM 183 CD LYS A 11 -8.825 -3.825 10.204 1.00 0.00 C ATOM 184 CE LYS A 11 -9.796 -4.982 9.965 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.925 -5.788 11.211 1.00 0.00 N ATOM 0 H LYS A 11 -4.731 -3.157 9.398 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.924 -4.309 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.073 -4.844 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.775 -5.865 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.213 -5.137 10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.685 -3.535 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.991 -3.395 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.002 -3.032 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.771 -4.597 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.437 -5.609 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.585 -6.575 11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.994 -6.167 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.286 -5.186 11.978 1.00 0.00 H new ATOM 199 N ILE A 12 -7.874 -2.365 7.421 1.00 0.00 N ATOM 200 CA ILE A 12 -8.475 -1.010 7.310 1.00 0.00 C ATOM 201 C ILE A 12 -9.999 -1.125 7.309 1.00 0.00 C ATOM 202 O ILE A 12 -10.558 -2.097 6.839 1.00 0.00 O ATOM 203 CB ILE A 12 -8.025 -0.359 6.003 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.523 -0.067 6.062 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.794 0.945 5.800 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.238 0.929 7.187 1.00 0.00 C ATOM 0 H ILE A 12 -8.470 -3.130 7.103 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.152 -0.403 8.156 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.225 -1.035 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.969 -0.990 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.183 0.338 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.476 1.413 4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.862 0.734 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.593 1.619 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.169 1.136 7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.780 1.856 6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.562 0.506 8.138 1.00 0.00 H new ATOM 218 N LYS A 13 -10.676 -0.136 7.823 1.00 0.00 N ATOM 219 CA LYS A 13 -12.164 -0.184 7.843 1.00 0.00 C ATOM 220 C LYS A 13 -12.718 0.960 6.993 1.00 0.00 C ATOM 221 O LYS A 13 -13.185 1.958 7.506 1.00 0.00 O ATOM 222 CB LYS A 13 -12.661 -0.045 9.284 1.00 0.00 C ATOM 223 CG LYS A 13 -12.915 -1.435 9.871 1.00 0.00 C ATOM 224 CD LYS A 13 -12.741 -1.391 11.390 1.00 0.00 C ATOM 225 CE LYS A 13 -14.113 -1.449 12.064 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.048 -2.355 13.246 1.00 0.00 N ATOM 0 H LYS A 13 -10.263 0.703 8.230 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.505 -1.136 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.923 0.486 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.577 0.545 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.922 -1.768 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.223 -2.156 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.126 -2.228 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.220 -0.479 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.420 -0.450 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.862 -1.808 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.981 -2.395 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.773 -3.309 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.345 -1.994 13.922 1.00 0.00 H new ATOM 240 N ILE A 14 -12.670 0.825 5.694 1.00 0.00 N ATOM 241 CA ILE A 14 -13.195 1.907 4.814 1.00 0.00 C ATOM 242 C ILE A 14 -14.680 1.646 4.527 1.00 0.00 C ATOM 243 O ILE A 14 -15.172 0.545 4.688 1.00 0.00 O ATOM 244 CB ILE A 14 -12.394 1.931 3.501 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.935 1.557 3.791 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.453 3.332 2.887 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.052 1.895 2.585 1.00 0.00 C ATOM 0 H ILE A 14 -12.291 0.014 5.206 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.091 2.873 5.308 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.822 1.214 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.582 2.095 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.863 0.493 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.885 3.346 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.491 3.596 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.026 4.053 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.019 1.625 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.397 1.337 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.112 2.964 2.378 1.00 0.00 H new ATOM 259 N LYS A 15 -15.405 2.646 4.112 1.00 0.00 N ATOM 260 CA LYS A 15 -16.852 2.435 3.824 1.00 0.00 C ATOM 261 C LYS A 15 -17.068 2.476 2.311 1.00 0.00 C ATOM 262 O LYS A 15 -16.202 2.888 1.564 1.00 0.00 O ATOM 263 CB LYS A 15 -17.688 3.524 4.508 1.00 0.00 C ATOM 264 CG LYS A 15 -16.974 3.998 5.777 1.00 0.00 C ATOM 265 CD LYS A 15 -17.988 4.640 6.726 1.00 0.00 C ATOM 266 CE LYS A 15 -18.298 3.680 7.874 1.00 0.00 C ATOM 267 NZ LYS A 15 -17.508 4.072 9.076 1.00 0.00 N ATOM 0 H LYS A 15 -15.062 3.595 3.960 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.166 1.466 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.838 4.363 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.675 3.136 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.484 3.156 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.195 4.716 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.591 5.576 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.903 4.884 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.363 3.702 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.055 2.658 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.718 3.419 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.493 4.030 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.761 5.041 9.357 1.00 0.00 H new ATOM 281 N ALA A 16 -18.204 2.037 1.847 1.00 0.00 N ATOM 282 CA ALA A 16 -18.452 2.037 0.379 1.00 0.00 C ATOM 283 C ALA A 16 -18.573 3.475 -0.134 1.00 0.00 C ATOM 284 O ALA A 16 -19.043 4.352 0.559 1.00 0.00 O ATOM 285 CB ALA A 16 -19.743 1.278 0.078 1.00 0.00 C ATOM 0 H ALA A 16 -18.969 1.679 2.419 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.616 1.549 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.923 1.279 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.651 0.250 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.577 1.762 0.586 1.00 0.00 H new ATOM 291 N GLY A 17 -18.158 3.716 -1.350 1.00 0.00 N ATOM 292 CA GLY A 17 -18.246 5.092 -1.922 1.00 0.00 C ATOM 293 C GLY A 17 -17.622 6.100 -0.953 1.00 0.00 C ATOM 294 O GLY A 17 -18.081 7.218 -0.828 1.00 0.00 O ATOM 0 H GLY A 17 -17.760 3.015 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.731 5.130 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.288 5.351 -2.109 1.00 0.00 H new ATOM 298 N PHE A 18 -16.589 5.712 -0.255 1.00 0.00 N ATOM 299 CA PHE A 18 -15.952 6.654 0.719 1.00 0.00 C ATOM 300 C PHE A 18 -14.548 7.045 0.262 1.00 0.00 C ATOM 301 O PHE A 18 -14.084 6.650 -0.790 1.00 0.00 O ATOM 302 CB PHE A 18 -15.842 5.983 2.086 1.00 0.00 C ATOM 303 CG PHE A 18 -17.062 6.312 2.897 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.308 6.361 2.275 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.952 6.556 4.269 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.454 6.654 3.023 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.094 6.852 5.019 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.347 6.900 4.397 1.00 0.00 C ATOM 0 H PHE A 18 -16.158 4.789 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.574 7.547 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.749 4.903 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.945 6.326 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.389 6.173 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.985 6.516 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.420 6.690 2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.009 7.044 6.078 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.230 7.126 4.976 1.00 0.00 H new ATOM 318 N THR A 19 -13.869 7.820 1.068 1.00 0.00 N ATOM 319 CA THR A 19 -12.490 8.248 0.718 1.00 0.00 C ATOM 320 C THR A 19 -11.535 7.845 1.843 1.00 0.00 C ATOM 321 O THR A 19 -11.737 8.181 2.993 1.00 0.00 O ATOM 322 CB THR A 19 -12.459 9.767 0.536 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.810 10.397 1.760 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.457 10.165 -0.551 1.00 0.00 C ATOM 0 H THR A 19 -14.217 8.175 1.959 1.00 0.00 H new ATOM 0 HA THR A 19 -12.181 7.767 -0.210 1.00 0.00 H new ATOM 0 HB THR A 19 -11.457 10.081 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.620 9.791 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.438 11.247 -0.684 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.187 9.679 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.459 9.853 -0.257 1.00 0.00 H new ATOM 332 N HIS A 20 -10.503 7.113 1.523 1.00 0.00 N ATOM 333 CA HIS A 20 -9.543 6.673 2.579 1.00 0.00 C ATOM 334 C HIS A 20 -8.169 7.308 2.348 1.00 0.00 C ATOM 335 O HIS A 20 -7.867 7.798 1.278 1.00 0.00 O ATOM 336 CB HIS A 20 -9.402 5.153 2.515 1.00 0.00 C ATOM 337 CG HIS A 20 -9.326 4.581 3.898 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.416 4.573 4.751 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.304 3.972 4.583 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.033 3.975 5.891 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.753 3.593 5.844 1.00 0.00 N ATOM 0 H HIS A 20 -10.282 6.800 0.578 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.919 6.982 3.554 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.251 4.724 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.506 4.887 1.954 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.341 4.952 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.306 3.812 4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.680 3.822 6.742 1.00 0.00 H new ATOM 349 N ASN A 21 -7.329 7.278 3.347 1.00 0.00 N ATOM 350 CA ASN A 21 -5.961 7.852 3.203 1.00 0.00 C ATOM 351 C ASN A 21 -4.954 6.838 3.751 1.00 0.00 C ATOM 352 O ASN A 21 -4.608 6.853 4.916 1.00 0.00 O ATOM 353 CB ASN A 21 -5.859 9.160 3.990 1.00 0.00 C ATOM 354 CG ASN A 21 -6.250 8.913 5.448 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.564 7.801 5.824 1.00 0.00 O ATOM 356 ND2 ASN A 21 -6.246 9.910 6.290 1.00 0.00 N ATOM 0 H ASN A 21 -7.533 6.878 4.263 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.752 8.061 2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.843 9.550 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.513 9.913 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.506 9.756 7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.982 10.843 5.974 1.00 0.00 H new ATOM 363 N LEU A 22 -4.503 5.941 2.919 1.00 0.00 N ATOM 364 CA LEU A 22 -3.542 4.898 3.372 1.00 0.00 C ATOM 365 C LEU A 22 -2.138 5.488 3.509 1.00 0.00 C ATOM 366 O LEU A 22 -1.686 6.245 2.671 1.00 0.00 O ATOM 367 CB LEU A 22 -3.535 3.789 2.329 1.00 0.00 C ATOM 368 CG LEU A 22 -2.556 2.688 2.723 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.076 1.366 2.171 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.177 2.975 2.125 1.00 0.00 C ATOM 0 H LEU A 22 -4.762 5.886 1.934 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.842 4.511 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.537 3.372 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.259 4.198 1.357 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.468 2.643 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.390 0.564 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.060 1.159 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.150 1.429 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.484 2.184 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.253 3.015 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.810 3.931 2.499 1.00 0.00 H new ATOM 382 N GLU A 23 -1.442 5.140 4.560 1.00 0.00 N ATOM 383 CA GLU A 23 -0.067 5.677 4.756 1.00 0.00 C ATOM 384 C GLU A 23 0.913 4.527 5.019 1.00 0.00 C ATOM 385 O GLU A 23 0.547 3.484 5.522 1.00 0.00 O ATOM 386 CB GLU A 23 -0.063 6.633 5.950 1.00 0.00 C ATOM 387 CG GLU A 23 -1.299 7.532 5.886 1.00 0.00 C ATOM 388 CD GLU A 23 -1.446 8.294 7.204 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.765 7.936 8.151 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.237 9.222 7.244 1.00 0.00 O ATOM 0 H GLU A 23 -1.768 4.507 5.290 1.00 0.00 H new ATOM 0 HA GLU A 23 0.242 6.209 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.059 6.068 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.842 7.240 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.209 8.233 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.189 6.931 5.700 1.00 0.00 H new ATOM 397 N VAL A 24 2.158 4.722 4.681 1.00 0.00 N ATOM 398 CA VAL A 24 3.186 3.662 4.901 1.00 0.00 C ATOM 399 C VAL A 24 4.568 4.319 4.891 1.00 0.00 C ATOM 400 O VAL A 24 4.733 5.412 4.385 1.00 0.00 O ATOM 401 CB VAL A 24 3.099 2.620 3.780 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.387 1.793 3.737 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.913 1.692 4.046 1.00 0.00 C ATOM 0 H VAL A 24 2.512 5.580 4.257 1.00 0.00 H new ATOM 0 HA VAL A 24 3.016 3.166 5.856 1.00 0.00 H new ATOM 0 HB VAL A 24 2.966 3.129 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.319 1.054 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.236 2.451 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.525 1.284 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.847 0.949 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.052 1.189 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.993 2.276 4.074 1.00 0.00 H new ATOM 413 N ASP A 25 5.563 3.679 5.445 1.00 0.00 N ATOM 414 CA ASP A 25 6.912 4.308 5.452 1.00 0.00 C ATOM 415 C ASP A 25 8.013 3.254 5.395 1.00 0.00 C ATOM 416 O ASP A 25 7.886 2.172 5.932 1.00 0.00 O ATOM 417 CB ASP A 25 7.076 5.144 6.722 1.00 0.00 C ATOM 418 CG ASP A 25 8.256 6.102 6.552 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.042 7.188 6.039 1.00 0.00 O ATOM 420 OD2 ASP A 25 9.353 5.732 6.936 1.00 0.00 O ATOM 0 H ASP A 25 5.501 2.762 5.886 1.00 0.00 H new ATOM 0 HA ASP A 25 6.998 4.942 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.163 5.706 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.243 4.493 7.580 1.00 0.00 H new ATOM 425 N PHE A 26 9.108 3.578 4.756 1.00 0.00 N ATOM 426 CA PHE A 26 10.238 2.610 4.673 1.00 0.00 C ATOM 427 C PHE A 26 11.518 3.351 4.289 1.00 0.00 C ATOM 428 O PHE A 26 11.550 4.101 3.335 1.00 0.00 O ATOM 429 CB PHE A 26 9.930 1.522 3.640 1.00 0.00 C ATOM 430 CG PHE A 26 9.679 2.141 2.287 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.745 2.352 1.403 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.377 2.488 1.909 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.507 2.913 0.143 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.140 3.045 0.649 1.00 0.00 C ATOM 435 CZ PHE A 26 9.205 3.258 -0.234 1.00 0.00 C ATOM 0 H PHE A 26 9.266 4.471 4.289 1.00 0.00 H new ATOM 0 HA PHE A 26 10.374 2.136 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.764 0.823 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.057 0.950 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.750 2.082 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.555 2.325 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.329 3.079 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.135 3.311 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.021 3.689 -1.207 1.00 0.00 H new ATOM 445 N ILE A 27 12.571 3.157 5.036 1.00 0.00 N ATOM 446 CA ILE A 27 13.847 3.867 4.721 1.00 0.00 C ATOM 447 C ILE A 27 14.582 3.154 3.584 1.00 0.00 C ATOM 448 O ILE A 27 15.441 2.325 3.806 1.00 0.00 O ATOM 449 CB ILE A 27 14.732 3.901 5.970 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.189 4.955 6.933 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.169 4.265 5.583 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.717 4.665 7.231 1.00 0.00 C ATOM 0 H ILE A 27 12.605 2.540 5.848 1.00 0.00 H new ATOM 0 HA ILE A 27 13.621 4.886 4.407 1.00 0.00 H new ATOM 0 HB ILE A 27 14.727 2.920 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.766 4.949 7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.294 5.949 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.792 4.287 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.558 3.521 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.181 5.246 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.330 5.417 7.918 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.146 4.693 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.625 3.678 7.684 1.00 0.00 H new ATOM 464 N GLY A 28 14.260 3.483 2.366 1.00 0.00 N ATOM 465 CA GLY A 28 14.945 2.833 1.214 1.00 0.00 C ATOM 466 C GLY A 28 15.724 3.887 0.423 1.00 0.00 C ATOM 467 O GLY A 28 15.279 5.004 0.255 1.00 0.00 O ATOM 0 H GLY A 28 13.552 4.174 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.622 2.057 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.213 2.346 0.569 1.00 0.00 H new ATOM 471 N ALA A 29 16.883 3.540 -0.065 1.00 0.00 N ATOM 472 CA ALA A 29 17.688 4.522 -0.846 1.00 0.00 C ATOM 473 C ALA A 29 18.884 3.805 -1.483 1.00 0.00 C ATOM 474 O ALA A 29 19.102 2.637 -1.232 1.00 0.00 O ATOM 475 CB ALA A 29 18.173 5.631 0.086 1.00 0.00 C ATOM 0 H ALA A 29 17.308 2.619 0.043 1.00 0.00 H new ATOM 0 HA ALA A 29 17.076 4.961 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.762 6.351 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.314 6.134 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.789 5.200 0.875 1.00 0.00 H new ATOM 481 N PRO A 30 19.608 4.516 -2.314 1.00 0.00 N ATOM 482 CA PRO A 30 19.344 5.938 -2.620 1.00 0.00 C ATOM 483 C PRO A 30 18.086 6.094 -3.477 1.00 0.00 C ATOM 484 O PRO A 30 17.708 7.189 -3.844 1.00 0.00 O ATOM 485 CB PRO A 30 20.598 6.382 -3.380 1.00 0.00 C ATOM 486 CG PRO A 30 21.246 5.097 -3.940 1.00 0.00 C ATOM 487 CD PRO A 30 20.753 3.942 -3.050 1.00 0.00 C ATOM 0 HA PRO A 30 19.160 6.537 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.341 7.070 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.287 6.908 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.958 4.937 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.333 5.168 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.452 3.080 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.534 3.602 -2.370 1.00 0.00 H new ATOM 495 N ASP A 31 17.428 5.015 -3.787 1.00 0.00 N ATOM 496 CA ASP A 31 16.190 5.114 -4.603 1.00 0.00 C ATOM 497 C ASP A 31 15.542 3.730 -4.709 1.00 0.00 C ATOM 498 O ASP A 31 15.829 2.979 -5.619 1.00 0.00 O ATOM 499 CB ASP A 31 16.536 5.629 -6.002 1.00 0.00 C ATOM 500 CG ASP A 31 16.337 7.145 -6.050 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.437 7.627 -5.381 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.087 7.799 -6.755 1.00 0.00 O ATOM 0 H ASP A 31 17.694 4.070 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 31 15.495 5.806 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.568 5.379 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.904 5.145 -6.746 1.00 0.00 H new ATOM 507 N PRO A 32 14.690 3.435 -3.761 1.00 0.00 N ATOM 508 CA PRO A 32 13.983 2.143 -3.698 1.00 0.00 C ATOM 509 C PRO A 32 12.799 2.124 -4.667 1.00 0.00 C ATOM 510 O PRO A 32 12.669 2.968 -5.532 1.00 0.00 O ATOM 511 CB PRO A 32 13.477 2.084 -2.255 1.00 0.00 C ATOM 512 CG PRO A 32 13.406 3.547 -1.761 1.00 0.00 C ATOM 513 CD PRO A 32 14.354 4.361 -2.659 1.00 0.00 C ATOM 0 HA PRO A 32 14.620 1.301 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.497 1.609 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.149 1.495 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.387 3.929 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.706 3.618 -0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.872 5.265 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.246 4.675 -2.116 1.00 0.00 H new ATOM 521 N THR A 33 11.929 1.166 -4.510 1.00 0.00 N ATOM 522 CA THR A 33 10.735 1.075 -5.394 1.00 0.00 C ATOM 523 C THR A 33 9.579 0.483 -4.589 1.00 0.00 C ATOM 524 O THR A 33 9.618 -0.660 -4.181 1.00 0.00 O ATOM 525 CB THR A 33 11.039 0.171 -6.589 1.00 0.00 C ATOM 526 OG1 THR A 33 12.029 0.783 -7.404 1.00 0.00 O ATOM 527 CG2 THR A 33 9.761 -0.036 -7.402 1.00 0.00 C ATOM 0 H THR A 33 11.995 0.436 -3.801 1.00 0.00 H new ATOM 0 HA THR A 33 10.471 2.067 -5.761 1.00 0.00 H new ATOM 0 HB THR A 33 11.407 -0.793 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.226 0.204 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.973 -0.680 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.002 -0.503 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.395 0.928 -7.757 1.00 0.00 H new ATOM 535 N ALA A 34 8.555 1.254 -4.346 1.00 0.00 N ATOM 536 CA ALA A 34 7.406 0.733 -3.554 1.00 0.00 C ATOM 537 C ALA A 34 6.233 0.419 -4.482 1.00 0.00 C ATOM 538 O ALA A 34 5.608 1.303 -5.033 1.00 0.00 O ATOM 539 CB ALA A 34 6.982 1.780 -2.522 1.00 0.00 C ATOM 0 H ALA A 34 8.464 2.220 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 34 7.707 -0.181 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.141 1.400 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.817 1.992 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.685 2.696 -3.033 1.00 0.00 H new ATOM 545 N THR A 35 5.928 -0.838 -4.653 1.00 0.00 N ATOM 546 CA THR A 35 4.793 -1.219 -5.539 1.00 0.00 C ATOM 547 C THR A 35 3.557 -1.496 -4.683 1.00 0.00 C ATOM 548 O THR A 35 3.579 -2.325 -3.793 1.00 0.00 O ATOM 549 CB THR A 35 5.161 -2.481 -6.325 1.00 0.00 C ATOM 550 OG1 THR A 35 4.076 -2.845 -7.167 1.00 0.00 O ATOM 551 CG2 THR A 35 5.458 -3.622 -5.351 1.00 0.00 C ATOM 0 H THR A 35 6.417 -1.619 -4.216 1.00 0.00 H new ATOM 0 HA THR A 35 4.583 -0.407 -6.235 1.00 0.00 H new ATOM 0 HB THR A 35 6.044 -2.286 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.310 -3.651 -7.672 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.720 -4.520 -5.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.290 -3.342 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.576 -3.819 -4.742 1.00 0.00 H new ATOM 559 N TRP A 36 2.478 -0.809 -4.943 1.00 0.00 N ATOM 560 CA TRP A 36 1.243 -1.035 -4.144 1.00 0.00 C ATOM 561 C TRP A 36 0.427 -2.168 -4.776 1.00 0.00 C ATOM 562 O TRP A 36 -0.181 -2.028 -5.832 1.00 0.00 O ATOM 563 CB TRP A 36 0.427 0.257 -4.084 1.00 0.00 C ATOM 564 CG TRP A 36 0.839 1.018 -2.860 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.614 2.129 -2.853 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.530 0.732 -1.464 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.790 2.542 -1.546 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.141 1.717 -0.655 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.218 -0.271 -0.830 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.017 1.704 0.735 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.344 -0.288 0.567 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.271 0.698 1.348 1.00 0.00 C ATOM 0 H TRP A 36 2.400 -0.102 -5.674 1.00 0.00 H new ATOM 0 HA TRP A 36 1.507 -1.323 -3.126 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.598 0.856 -4.979 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.639 0.032 -4.050 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.027 2.613 -3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.335 3.360 -1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.700 -1.035 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.495 2.467 1.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.920 -1.068 1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.168 0.679 2.423 1.00 0.00 H new ATOM 583 N THR A 37 0.414 -3.306 -4.143 1.00 0.00 N ATOM 584 CA THR A 37 -0.353 -4.440 -4.708 1.00 0.00 C ATOM 585 C THR A 37 -1.619 -4.656 -3.896 1.00 0.00 C ATOM 586 O THR A 37 -1.783 -4.140 -2.809 1.00 0.00 O ATOM 587 CB THR A 37 0.481 -5.723 -4.694 1.00 0.00 C ATOM 588 OG1 THR A 37 1.692 -5.497 -3.987 1.00 0.00 O ATOM 589 CG2 THR A 37 0.796 -6.147 -6.130 1.00 0.00 C ATOM 0 H THR A 37 0.898 -3.496 -3.266 1.00 0.00 H new ATOM 0 HA THR A 37 -0.609 -4.200 -5.740 1.00 0.00 H new ATOM 0 HB THR A 37 -0.083 -6.514 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.503 -5.432 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.390 -7.061 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.134 -6.326 -6.669 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.357 -5.356 -6.628 1.00 0.00 H new ATOM 597 N VAL A 38 -2.518 -5.411 -4.436 1.00 0.00 N ATOM 598 CA VAL A 38 -3.796 -5.673 -3.744 1.00 0.00 C ATOM 599 C VAL A 38 -3.844 -7.147 -3.322 1.00 0.00 C ATOM 600 O VAL A 38 -2.852 -7.846 -3.372 1.00 0.00 O ATOM 601 CB VAL A 38 -4.915 -5.347 -4.731 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.117 -6.520 -5.675 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.208 -5.053 -3.984 1.00 0.00 C ATOM 0 H VAL A 38 -2.420 -5.866 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.904 -5.064 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.636 -4.464 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.916 -6.287 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.194 -6.709 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.387 -7.407 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.997 -4.822 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.495 -5.925 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.059 -4.201 -3.321 1.00 0.00 H new ATOM 650 N ALA A 43 -2.302 -9.768 -7.105 1.00 0.00 N ATOM 651 CA ALA A 43 -3.047 -8.692 -7.800 1.00 0.00 C ATOM 652 C ALA A 43 -2.409 -7.347 -7.459 1.00 0.00 C ATOM 653 O ALA A 43 -1.559 -7.258 -6.597 1.00 0.00 O ATOM 654 CB ALA A 43 -4.510 -8.703 -7.344 1.00 0.00 C ATOM 0 HA ALA A 43 -3.010 -8.852 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.057 -7.911 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.959 -9.667 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.557 -8.539 -6.267 1.00 0.00 H new ATOM 660 N ALA A 44 -2.805 -6.298 -8.124 1.00 0.00 N ATOM 661 CA ALA A 44 -2.207 -4.969 -7.822 1.00 0.00 C ATOM 662 C ALA A 44 -3.311 -3.915 -7.742 1.00 0.00 C ATOM 663 O ALA A 44 -4.400 -4.111 -8.242 1.00 0.00 O ATOM 664 CB ALA A 44 -1.219 -4.590 -8.928 1.00 0.00 C ATOM 0 H ALA A 44 -3.512 -6.303 -8.859 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.684 -5.017 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.781 -3.617 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.429 -5.339 -8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.742 -4.544 -9.883 1.00 0.00 H new ATOM 670 N LEU A 45 -3.042 -2.790 -7.132 1.00 0.00 N ATOM 671 CA LEU A 45 -4.105 -1.734 -7.059 1.00 0.00 C ATOM 672 C LEU A 45 -3.506 -0.372 -7.411 1.00 0.00 C ATOM 673 O LEU A 45 -2.331 -0.132 -7.216 1.00 0.00 O ATOM 674 CB LEU A 45 -4.768 -1.705 -5.667 1.00 0.00 C ATOM 675 CG LEU A 45 -3.835 -1.139 -4.593 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.475 -1.788 -4.703 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.688 0.373 -4.754 1.00 0.00 C ATOM 0 H LEU A 45 -2.154 -2.556 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.884 -1.973 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.676 -1.103 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.069 -2.715 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.266 -1.351 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.815 -1.382 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.573 -2.865 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.054 -1.586 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.021 0.758 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.272 0.596 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.665 0.846 -4.658 1.00 0.00 H new ATOM 728 N LEU A 49 -7.819 4.021 -7.414 1.00 0.00 N ATOM 729 CA LEU A 49 -7.595 4.922 -6.258 1.00 0.00 C ATOM 730 C LEU A 49 -6.508 5.934 -6.606 1.00 0.00 C ATOM 731 O LEU A 49 -6.158 6.123 -7.754 1.00 0.00 O ATOM 732 CB LEU A 49 -7.142 4.129 -5.028 1.00 0.00 C ATOM 733 CG LEU A 49 -6.915 2.660 -5.366 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.858 2.090 -4.425 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.224 1.905 -5.169 1.00 0.00 C ATOM 0 HA LEU A 49 -8.534 5.428 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.221 4.560 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.894 4.211 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.579 2.559 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.690 1.039 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.926 2.643 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.201 2.180 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.076 0.852 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.547 2.000 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.987 2.322 -5.826 1.00 0.00 H new ATOM 747 N LEU A 50 -5.971 6.580 -5.613 1.00 0.00 N ATOM 748 CA LEU A 50 -4.893 7.588 -5.867 1.00 0.00 C ATOM 749 C LEU A 50 -3.616 7.126 -5.159 1.00 0.00 C ATOM 750 O LEU A 50 -3.258 7.623 -4.112 1.00 0.00 O ATOM 751 CB LEU A 50 -5.324 8.948 -5.312 1.00 0.00 C ATOM 752 CG LEU A 50 -5.815 9.847 -6.444 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.781 9.065 -7.336 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.538 11.056 -5.842 1.00 0.00 C ATOM 0 H LEU A 50 -6.228 6.458 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.713 7.681 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.116 8.814 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.487 9.421 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.968 10.184 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.131 9.707 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.268 8.200 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.633 8.730 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.892 11.704 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.387 10.714 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.850 11.611 -5.204 1.00 0.00 H new ATOM 766 N VAL A 51 -2.940 6.158 -5.706 1.00 0.00 N ATOM 767 CA VAL A 51 -1.717 5.640 -5.033 1.00 0.00 C ATOM 768 C VAL A 51 -0.510 6.553 -5.256 1.00 0.00 C ATOM 769 O VAL A 51 -0.164 6.901 -6.367 1.00 0.00 O ATOM 770 CB VAL A 51 -1.408 4.245 -5.569 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.235 3.646 -4.791 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.641 3.366 -5.384 1.00 0.00 C ATOM 0 H VAL A 51 -3.179 5.703 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.909 5.605 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.145 4.303 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.015 2.650 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.642 4.282 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.495 3.579 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.434 2.365 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.891 3.308 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.480 3.796 -5.932 1.00 0.00 H new ATOM 782 N ASP A 52 0.143 6.913 -4.182 1.00 0.00 N ATOM 783 CA ASP A 52 1.353 7.775 -4.269 1.00 0.00 C ATOM 784 C ASP A 52 2.456 7.109 -3.443 1.00 0.00 C ATOM 785 O ASP A 52 2.181 6.337 -2.545 1.00 0.00 O ATOM 786 CB ASP A 52 1.044 9.160 -3.698 1.00 0.00 C ATOM 787 CG ASP A 52 -0.003 9.850 -4.573 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.373 10.379 -5.606 1.00 0.00 O ATOM 789 OD2 ASP A 52 -1.163 9.835 -4.197 1.00 0.00 O ATOM 0 H ASP A 52 -0.118 6.640 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 52 1.667 7.891 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.677 9.070 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.953 9.760 -3.659 1.00 0.00 H new ATOM 794 N ALA A 53 3.698 7.367 -3.732 1.00 0.00 N ATOM 795 CA ALA A 53 4.763 6.697 -2.939 1.00 0.00 C ATOM 796 C ALA A 53 6.080 7.474 -3.028 1.00 0.00 C ATOM 797 O ALA A 53 6.379 8.104 -4.023 1.00 0.00 O ATOM 798 CB ALA A 53 4.950 5.281 -3.482 1.00 0.00 C ATOM 0 H ALA A 53 4.018 7.998 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 53 4.468 6.663 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.728 4.773 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.014 4.730 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.241 5.329 -4.531 1.00 0.00 H new ATOM 804 N LYS A 54 6.871 7.432 -1.983 1.00 0.00 N ATOM 805 CA LYS A 54 8.170 8.167 -1.997 1.00 0.00 C ATOM 806 C LYS A 54 9.325 7.207 -1.673 1.00 0.00 C ATOM 807 O LYS A 54 9.139 6.124 -1.152 1.00 0.00 O ATOM 808 CB LYS A 54 8.107 9.347 -1.000 1.00 0.00 C ATOM 809 CG LYS A 54 9.296 9.362 -0.022 1.00 0.00 C ATOM 810 CD LYS A 54 10.507 10.009 -0.697 1.00 0.00 C ATOM 811 CE LYS A 54 11.013 11.171 0.160 1.00 0.00 C ATOM 812 NZ LYS A 54 11.324 12.336 -0.716 1.00 0.00 N ATOM 0 H LYS A 54 6.672 6.921 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 54 8.353 8.574 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.086 10.285 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.177 9.290 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.031 9.914 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.539 8.345 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.298 9.271 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.234 10.368 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.260 11.448 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.903 10.869 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.668 13.126 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.057 12.068 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.464 12.628 -1.223 1.00 0.00 H new ATOM 826 N SER A 55 10.513 7.612 -2.006 1.00 0.00 N ATOM 827 CA SER A 55 11.720 6.762 -1.773 1.00 0.00 C ATOM 828 C SER A 55 11.779 6.206 -0.340 1.00 0.00 C ATOM 829 O SER A 55 11.977 5.025 -0.141 1.00 0.00 O ATOM 830 CB SER A 55 12.973 7.598 -2.031 1.00 0.00 C ATOM 831 OG SER A 55 13.276 8.360 -0.870 1.00 0.00 O ATOM 0 H SER A 55 10.708 8.515 -2.439 1.00 0.00 H new ATOM 0 HA SER A 55 11.663 5.914 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.812 6.949 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.814 8.259 -2.883 1.00 0.00 H new ATOM 0 HG SER A 55 14.080 8.896 -1.031 1.00 0.00 H new ATOM 837 N SER A 56 11.658 7.034 0.662 1.00 0.00 N ATOM 838 CA SER A 56 11.764 6.513 2.059 1.00 0.00 C ATOM 839 C SER A 56 10.381 6.287 2.675 1.00 0.00 C ATOM 840 O SER A 56 10.239 6.214 3.880 1.00 0.00 O ATOM 841 CB SER A 56 12.538 7.518 2.913 1.00 0.00 C ATOM 842 OG SER A 56 13.863 7.637 2.412 1.00 0.00 O ATOM 0 H SER A 56 11.492 8.037 0.578 1.00 0.00 H new ATOM 0 HA SER A 56 12.286 5.557 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.041 8.488 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.558 7.190 3.952 1.00 0.00 H new ATOM 0 HG SER A 56 14.362 8.282 2.956 1.00 0.00 H new ATOM 848 N THR A 57 9.360 6.172 1.878 1.00 0.00 N ATOM 849 CA THR A 57 8.007 5.954 2.465 1.00 0.00 C ATOM 850 C THR A 57 6.988 5.822 1.341 1.00 0.00 C ATOM 851 O THR A 57 7.342 5.622 0.200 1.00 0.00 O ATOM 852 CB THR A 57 7.654 7.161 3.344 1.00 0.00 C ATOM 853 OG1 THR A 57 6.535 6.862 4.164 1.00 0.00 O ATOM 854 CG2 THR A 57 7.323 8.351 2.451 1.00 0.00 C ATOM 0 H THR A 57 9.398 6.218 0.860 1.00 0.00 H new ATOM 0 HA THR A 57 7.998 5.045 3.066 1.00 0.00 H new ATOM 0 HB THR A 57 8.505 7.399 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.657 7.271 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.071 9.212 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.186 8.591 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.475 8.102 1.813 1.00 0.00 H new ATOM 862 N THR A 58 5.727 5.947 1.647 1.00 0.00 N ATOM 863 CA THR A 58 4.700 5.849 0.582 1.00 0.00 C ATOM 864 C THR A 58 3.308 5.943 1.195 1.00 0.00 C ATOM 865 O THR A 58 3.099 5.620 2.345 1.00 0.00 O ATOM 866 CB THR A 58 4.825 4.514 -0.155 1.00 0.00 C ATOM 867 OG1 THR A 58 3.985 4.533 -1.295 1.00 0.00 O ATOM 868 CG2 THR A 58 4.393 3.376 0.765 1.00 0.00 C ATOM 0 H THR A 58 5.367 6.112 2.587 1.00 0.00 H new ATOM 0 HA THR A 58 4.853 6.668 -0.121 1.00 0.00 H new ATOM 0 HB THR A 58 5.861 4.362 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.109 3.707 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.483 2.427 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.030 3.361 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.356 3.526 1.067 1.00 0.00 H new ATOM 876 N SER A 59 2.350 6.369 0.425 1.00 0.00 N ATOM 877 CA SER A 59 0.962 6.469 0.943 1.00 0.00 C ATOM 878 C SER A 59 0.015 6.417 -0.237 1.00 0.00 C ATOM 879 O SER A 59 0.321 6.896 -1.310 1.00 0.00 O ATOM 880 CB SER A 59 0.779 7.783 1.703 1.00 0.00 C ATOM 881 OG SER A 59 1.822 8.681 1.345 1.00 0.00 O ATOM 0 H SER A 59 2.470 6.654 -0.547 1.00 0.00 H new ATOM 0 HA SER A 59 0.756 5.647 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.191 8.221 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.793 7.600 2.777 1.00 0.00 H new ATOM 0 HG SER A 59 1.707 9.525 1.829 1.00 0.00 H new ATOM 887 N ILE A 60 -1.122 5.820 -0.075 1.00 0.00 N ATOM 888 CA ILE A 60 -2.033 5.734 -1.231 1.00 0.00 C ATOM 889 C ILE A 60 -3.433 6.216 -0.848 1.00 0.00 C ATOM 890 O ILE A 60 -3.722 6.480 0.304 1.00 0.00 O ATOM 891 CB ILE A 60 -1.978 4.301 -1.784 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.786 3.330 -0.927 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.512 3.846 -1.767 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.673 1.922 -1.525 1.00 0.00 C ATOM 0 H ILE A 60 -1.455 5.396 0.791 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.721 6.400 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.399 4.301 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.415 3.334 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.830 3.640 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.442 2.830 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.084 4.514 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.135 3.871 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.248 1.222 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.064 1.926 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.627 1.616 -1.540 1.00 0.00 H new ATOM 906 N PHE A 61 -4.264 6.444 -1.827 1.00 0.00 N ATOM 907 CA PHE A 61 -5.601 7.043 -1.554 1.00 0.00 C ATOM 908 C PHE A 61 -6.764 6.153 -1.973 1.00 0.00 C ATOM 909 O PHE A 61 -6.663 5.366 -2.883 1.00 0.00 O ATOM 910 CB PHE A 61 -5.673 8.312 -2.382 1.00 0.00 C ATOM 911 CG PHE A 61 -5.379 9.495 -1.525 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.185 9.547 -0.809 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.290 10.544 -1.460 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.897 10.654 -0.019 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.014 11.655 -0.673 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.812 11.717 0.054 1.00 0.00 C ATOM 0 H PHE A 61 -4.074 6.240 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.693 7.203 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.959 8.261 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.664 8.411 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.484 8.728 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.211 10.495 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.972 10.696 0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.721 12.469 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.593 12.579 0.666 1.00 0.00 H new ATOM 926 N PHE A 62 -7.893 6.334 -1.331 1.00 0.00 N ATOM 927 CA PHE A 62 -9.111 5.558 -1.693 1.00 0.00 C ATOM 928 C PHE A 62 -10.325 6.497 -1.705 1.00 0.00 C ATOM 929 O PHE A 62 -11.345 6.161 -1.140 1.00 0.00 O ATOM 930 CB PHE A 62 -9.413 4.475 -0.650 1.00 0.00 C ATOM 931 CG PHE A 62 -8.244 3.551 -0.422 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.997 4.053 -0.031 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.424 2.171 -0.584 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.932 3.175 0.193 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.358 1.295 -0.361 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.112 1.797 0.027 1.00 0.00 C ATOM 0 H PHE A 62 -8.019 6.994 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.930 5.104 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.686 4.949 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.275 3.892 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.858 5.116 0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.387 1.784 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.969 3.561 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.497 0.232 -0.488 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.288 1.121 0.199 1.00 0.00 H new ATOM 946 N PRO A 63 -10.201 7.631 -2.349 1.00 0.00 N ATOM 947 CA PRO A 63 -11.308 8.602 -2.446 1.00 0.00 C ATOM 948 C PRO A 63 -12.465 7.979 -3.219 1.00 0.00 C ATOM 949 O PRO A 63 -13.578 8.466 -3.211 1.00 0.00 O ATOM 950 CB PRO A 63 -10.682 9.796 -3.173 1.00 0.00 C ATOM 951 CG PRO A 63 -9.439 9.240 -3.895 1.00 0.00 C ATOM 952 CD PRO A 63 -8.977 8.043 -3.049 1.00 0.00 C ATOM 0 HA PRO A 63 -11.727 8.903 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.384 10.234 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.407 10.582 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.680 8.932 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.656 9.995 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.580 7.241 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.189 8.325 -2.350 1.00 0.00 H new ATOM 960 N SER A 64 -12.203 6.879 -3.860 1.00 0.00 N ATOM 961 CA SER A 64 -13.267 6.168 -4.614 1.00 0.00 C ATOM 962 C SER A 64 -13.347 4.730 -4.092 1.00 0.00 C ATOM 963 O SER A 64 -13.380 3.786 -4.856 1.00 0.00 O ATOM 964 CB SER A 64 -12.916 6.151 -6.104 1.00 0.00 C ATOM 965 OG SER A 64 -12.496 7.449 -6.502 1.00 0.00 O ATOM 0 H SER A 64 -11.285 6.436 -3.894 1.00 0.00 H new ATOM 0 HA SER A 64 -14.224 6.673 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.125 5.426 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.781 5.841 -6.690 1.00 0.00 H new ATOM 0 HG SER A 64 -12.269 7.441 -7.455 1.00 0.00 H new ATOM 971 N ALA A 65 -13.364 4.549 -2.791 1.00 0.00 N ATOM 972 CA ALA A 65 -13.425 3.168 -2.241 1.00 0.00 C ATOM 973 C ALA A 65 -14.863 2.674 -2.223 1.00 0.00 C ATOM 974 O ALA A 65 -15.787 3.417 -1.945 1.00 0.00 O ATOM 975 CB ALA A 65 -12.881 3.145 -0.818 1.00 0.00 C ATOM 0 H ALA A 65 -13.338 5.295 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.821 2.520 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.931 2.129 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.845 3.483 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.478 3.806 -0.190 1.00 0.00 H new ATOM 981 N LYS A 66 -15.042 1.413 -2.501 1.00 0.00 N ATOM 982 CA LYS A 66 -16.406 0.817 -2.503 1.00 0.00 C ATOM 983 C LYS A 66 -16.307 -0.657 -2.112 1.00 0.00 C ATOM 984 O LYS A 66 -15.237 -1.231 -2.092 1.00 0.00 O ATOM 985 CB LYS A 66 -17.018 0.937 -3.901 1.00 0.00 C ATOM 986 CG LYS A 66 -18.472 1.401 -3.783 1.00 0.00 C ATOM 987 CD LYS A 66 -19.315 0.719 -4.862 1.00 0.00 C ATOM 988 CE LYS A 66 -18.789 1.109 -6.244 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.399 2.547 -6.238 1.00 0.00 N ATOM 0 H LYS A 66 -14.291 0.762 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.038 1.345 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.446 1.646 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.972 -0.024 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.863 1.159 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.529 2.484 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.276 -0.363 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.360 1.014 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.932 0.489 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.554 0.932 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.368 2.902 -7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.096 3.093 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.461 2.650 -5.802 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.412 -1.276 -1.797 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.372 -2.714 -1.404 1.00 0.00 C ATOM 1005 C ARG A 67 -16.450 -3.479 -2.357 1.00 0.00 C ATOM 1006 O ARG A 67 -15.699 -4.343 -1.949 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.783 -3.303 -1.475 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.377 -3.047 -2.862 1.00 0.00 C ATOM 1009 CD ARG A 67 -19.204 -4.294 -3.730 1.00 0.00 C ATOM 1010 NE ARG A 67 -18.960 -3.887 -5.142 1.00 0.00 N ATOM 1011 CZ ARG A 67 -18.917 -4.790 -6.084 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -18.145 -5.833 -5.952 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -19.648 -4.650 -7.156 1.00 0.00 N ATOM 0 H ARG A 67 -18.339 -0.850 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.994 -2.801 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.752 -4.374 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.415 -2.853 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.434 -2.795 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.883 -2.195 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.370 -4.892 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.095 -4.919 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 67 -18.826 -2.903 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.575 -5.943 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.111 -6.539 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.253 -3.835 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.614 -5.355 -7.892 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.502 -3.170 -3.623 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.636 -3.876 -4.603 1.00 0.00 C ATOM 1029 C ALA A 68 -14.166 -3.722 -4.203 1.00 0.00 C ATOM 1030 O ALA A 68 -13.413 -4.676 -4.191 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.847 -3.277 -5.993 1.00 0.00 C ATOM 0 H ALA A 68 -17.111 -2.455 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.898 -4.934 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.212 -3.794 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.891 -3.390 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.588 -2.218 -5.976 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.751 -2.528 -3.879 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.330 -2.312 -3.486 1.00 0.00 C ATOM 1039 C ASP A 69 -11.987 -3.209 -2.296 1.00 0.00 C ATOM 1040 O ASP A 69 -10.839 -3.521 -2.052 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.127 -0.847 -3.095 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.225 0.032 -4.343 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.727 -0.450 -5.345 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.797 1.173 -4.276 1.00 0.00 O ATOM 0 H ASP A 69 -14.335 -1.692 -3.870 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.680 -2.558 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.879 -0.547 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.154 -0.717 -2.621 1.00 0.00 H new ATOM 1049 N SER A 70 -12.974 -3.629 -1.553 1.00 0.00 N ATOM 1050 CA SER A 70 -12.700 -4.507 -0.381 1.00 0.00 C ATOM 1051 C SER A 70 -11.745 -5.625 -0.803 1.00 0.00 C ATOM 1052 O SER A 70 -12.112 -6.523 -1.534 1.00 0.00 O ATOM 1053 CB SER A 70 -14.010 -5.115 0.119 1.00 0.00 C ATOM 1054 OG SER A 70 -14.305 -6.282 -0.637 1.00 0.00 O ATOM 0 H SER A 70 -13.957 -3.403 -1.707 1.00 0.00 H new ATOM 0 HA SER A 70 -12.247 -3.921 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.928 -5.364 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.820 -4.392 0.024 1.00 0.00 H new ATOM 0 HG SER A 70 -13.783 -6.275 -1.467 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.521 -5.579 -0.352 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.549 -6.641 -0.735 1.00 0.00 C ATOM 1062 C GLY A 71 -8.344 -6.604 0.206 1.00 0.00 C ATOM 1063 O GLY A 71 -8.378 -5.990 1.257 1.00 0.00 O ATOM 0 H GLY A 71 -10.153 -4.854 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.028 -7.619 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.223 -6.494 -1.765 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.272 -7.251 -0.165 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.068 -7.246 0.709 1.00 0.00 C ATOM 1069 C ASN A 72 -4.997 -6.362 0.077 1.00 0.00 C ATOM 1070 O ASN A 72 -4.226 -6.795 -0.756 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.537 -8.672 0.866 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.704 -9.626 1.128 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.473 -9.424 2.047 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.869 -10.663 0.354 1.00 0.00 N ATOM 0 H ASN A 72 -7.180 -7.780 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.330 -6.856 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.002 -8.973 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.825 -8.717 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.644 -11.305 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.223 -10.832 -0.417 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.949 -5.121 0.467 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.939 -4.194 -0.104 1.00 0.00 C ATOM 1083 C TYR A 73 -2.550 -4.566 0.414 1.00 0.00 C ATOM 1084 O TYR A 73 -2.176 -4.229 1.518 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.289 -2.763 0.304 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.461 -2.300 -0.525 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.751 -2.764 -0.240 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.253 -1.427 -1.592 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.833 -2.347 -1.025 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.332 -1.012 -2.381 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.623 -1.471 -2.096 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.687 -1.063 -2.873 1.00 0.00 O ATOM 0 H TYR A 73 -5.571 -4.707 1.162 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.939 -4.269 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.536 -2.722 1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.433 -2.106 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.911 -3.443 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.257 -1.070 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.829 -2.701 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.168 -0.338 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.367 -0.455 -3.572 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.784 -5.257 -0.383 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.417 -5.655 0.051 1.00 0.00 C ATOM 1104 C LYS A 74 0.612 -4.888 -0.777 1.00 0.00 C ATOM 1105 O LYS A 74 0.625 -4.966 -1.989 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.231 -7.159 -0.167 1.00 0.00 C ATOM 1107 CG LYS A 74 0.075 -7.837 1.169 1.00 0.00 C ATOM 1108 CD LYS A 74 1.553 -8.230 1.215 1.00 0.00 C ATOM 1109 CE LYS A 74 1.699 -9.596 1.888 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.142 -9.955 1.977 1.00 0.00 N ATOM 0 H LYS A 74 -2.047 -5.564 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.284 -5.425 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.132 -7.587 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.582 -7.337 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.159 -7.163 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.551 -8.721 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.962 -8.265 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.122 -7.480 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.257 -9.571 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.160 -10.353 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.241 -10.884 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.549 -9.995 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.644 -9.237 2.538 1.00 0.00 H new ATOM 1124 N LEU A 75 1.470 -4.143 -0.139 1.00 0.00 N ATOM 1125 CA LEU A 75 2.487 -3.371 -0.905 1.00 0.00 C ATOM 1126 C LEU A 75 3.888 -3.886 -0.552 1.00 0.00 C ATOM 1127 O LEU A 75 4.133 -4.346 0.545 1.00 0.00 O ATOM 1128 CB LEU A 75 2.344 -1.875 -0.561 1.00 0.00 C ATOM 1129 CG LEU A 75 3.707 -1.177 -0.560 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.551 0.266 -1.037 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.277 -1.185 0.859 1.00 0.00 C ATOM 0 H LEU A 75 1.511 -4.035 0.874 1.00 0.00 H new ATOM 0 HA LEU A 75 2.335 -3.500 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.686 -1.394 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.876 -1.767 0.417 1.00 0.00 H new ATOM 0 HG LEU A 75 4.384 -1.705 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.524 0.757 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.144 0.273 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.874 0.799 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.248 -0.689 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.596 -0.658 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.394 -2.214 1.198 1.00 0.00 H new ATOM 1143 N LYS A 76 4.808 -3.806 -1.476 1.00 0.00 N ATOM 1144 CA LYS A 76 6.192 -4.282 -1.195 1.00 0.00 C ATOM 1145 C LYS A 76 7.197 -3.274 -1.758 1.00 0.00 C ATOM 1146 O LYS A 76 7.190 -2.972 -2.935 1.00 0.00 O ATOM 1147 CB LYS A 76 6.410 -5.644 -1.857 1.00 0.00 C ATOM 1148 CG LYS A 76 7.896 -6.003 -1.801 1.00 0.00 C ATOM 1149 CD LYS A 76 8.050 -7.518 -1.657 1.00 0.00 C ATOM 1150 CE LYS A 76 7.949 -8.174 -3.035 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.385 -9.595 -2.942 1.00 0.00 N ATOM 0 H LYS A 76 4.660 -3.431 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 76 6.333 -4.377 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.821 -6.407 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.070 -5.616 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.398 -5.660 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.372 -5.497 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.010 -7.755 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.277 -7.912 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.924 -8.120 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.571 -7.638 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.316 -10.041 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.370 -9.635 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.773 -10.103 -2.271 1.00 0.00 H new ATOM 1165 N VAL A 77 8.062 -2.748 -0.931 1.00 0.00 N ATOM 1166 CA VAL A 77 9.058 -1.759 -1.433 1.00 0.00 C ATOM 1167 C VAL A 77 10.456 -2.374 -1.403 1.00 0.00 C ATOM 1168 O VAL A 77 10.990 -2.685 -0.360 1.00 0.00 O ATOM 1169 CB VAL A 77 9.016 -0.502 -0.562 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.560 -0.134 -0.292 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.725 -0.763 0.769 1.00 0.00 C ATOM 0 H VAL A 77 8.121 -2.960 0.065 1.00 0.00 H new ATOM 0 HA VAL A 77 8.814 -1.488 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 77 9.520 0.314 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.520 0.761 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.052 0.057 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.067 -0.957 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.690 0.137 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.227 -1.579 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.764 -1.034 0.581 1.00 0.00 H new ATOM 1181 N LYS A 78 11.047 -2.556 -2.550 1.00 0.00 N ATOM 1182 CA LYS A 78 12.409 -3.164 -2.603 1.00 0.00 C ATOM 1183 C LYS A 78 13.467 -2.074 -2.798 1.00 0.00 C ATOM 1184 O LYS A 78 13.173 -0.895 -2.779 1.00 0.00 O ATOM 1185 CB LYS A 78 12.480 -4.151 -3.770 1.00 0.00 C ATOM 1186 CG LYS A 78 11.204 -4.996 -3.803 1.00 0.00 C ATOM 1187 CD LYS A 78 11.213 -5.884 -5.049 1.00 0.00 C ATOM 1188 CE LYS A 78 11.172 -7.355 -4.629 1.00 0.00 C ATOM 1189 NZ LYS A 78 10.217 -8.094 -5.502 1.00 0.00 N ATOM 0 H LYS A 78 10.647 -2.310 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 78 12.602 -3.684 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.596 -3.611 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.353 -4.795 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.139 -5.611 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.327 -4.349 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.356 -5.651 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.107 -5.689 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.167 -7.794 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.867 -7.438 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.902 -8.959 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.394 -7.491 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.688 -8.348 -6.394 1.00 0.00 H new ATOM 1203 N ASN A 79 14.701 -2.465 -2.984 1.00 0.00 N ATOM 1204 CA ASN A 79 15.786 -1.461 -3.179 1.00 0.00 C ATOM 1205 C ASN A 79 17.099 -2.181 -3.503 1.00 0.00 C ATOM 1206 O ASN A 79 17.559 -3.017 -2.753 1.00 0.00 O ATOM 1207 CB ASN A 79 15.958 -0.643 -1.899 1.00 0.00 C ATOM 1208 CG ASN A 79 17.088 0.372 -2.086 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.324 0.858 -3.274 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 17.764 0.726 -1.141 1.00 0.00 N flip ATOM 0 H ASN A 79 15.004 -3.439 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 79 15.523 -0.798 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.029 -0.127 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.183 -1.303 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.580 0.347 -0.212 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.515 1.403 -1.276 1.00 0.00 H new ATOM 1217 N GLU A 80 17.706 -1.856 -4.613 1.00 0.00 N ATOM 1218 CA GLU A 80 18.992 -2.513 -4.993 1.00 0.00 C ATOM 1219 C GLU A 80 18.931 -4.012 -4.677 1.00 0.00 C ATOM 1220 O GLU A 80 18.472 -4.802 -5.478 1.00 0.00 O ATOM 1221 CB GLU A 80 20.145 -1.866 -4.219 1.00 0.00 C ATOM 1222 CG GLU A 80 20.904 -0.912 -5.143 1.00 0.00 C ATOM 1223 CD GLU A 80 21.025 0.460 -4.476 1.00 0.00 C ATOM 1224 OE1 GLU A 80 20.004 1.105 -4.303 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.137 0.842 -4.150 1.00 0.00 O ATOM 0 H GLU A 80 17.365 -1.160 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 80 19.156 -2.385 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 80 19.759 -1.324 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.818 -2.634 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.895 -1.311 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.382 -0.820 -6.095 1.00 0.00 H new ATOM 1232 N LEU A 81 19.393 -4.416 -3.521 1.00 0.00 N ATOM 1233 CA LEU A 81 19.357 -5.867 -3.175 1.00 0.00 C ATOM 1234 C LEU A 81 18.518 -6.076 -1.917 1.00 0.00 C ATOM 1235 O LEU A 81 18.071 -7.168 -1.628 1.00 0.00 O ATOM 1236 CB LEU A 81 20.780 -6.372 -2.929 1.00 0.00 C ATOM 1237 CG LEU A 81 21.681 -5.947 -4.088 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.145 -6.035 -3.653 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.449 -6.878 -5.281 1.00 0.00 C ATOM 0 H LEU A 81 19.791 -3.807 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 81 18.913 -6.422 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.163 -5.970 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.780 -7.458 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 81 21.446 -4.922 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.789 -5.732 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 81 23.312 -5.375 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.379 -7.061 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.091 -6.576 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.685 -7.903 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.406 -6.819 -5.591 1.00 0.00 H new ATOM 1251 N GLY A 82 18.293 -5.035 -1.174 1.00 0.00 N ATOM 1252 CA GLY A 82 17.471 -5.160 0.063 1.00 0.00 C ATOM 1253 C GLY A 82 16.008 -4.900 -0.289 1.00 0.00 C ATOM 1254 O GLY A 82 15.705 -4.328 -1.317 1.00 0.00 O ATOM 0 H GLY A 82 18.643 -4.097 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.585 -6.155 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.810 -4.448 0.815 1.00 0.00 H new ATOM 1258 N GLU A 83 15.093 -5.313 0.544 1.00 0.00 N ATOM 1259 CA GLU A 83 13.659 -5.077 0.224 1.00 0.00 C ATOM 1260 C GLU A 83 12.793 -5.286 1.468 1.00 0.00 C ATOM 1261 O GLU A 83 13.235 -5.802 2.475 1.00 0.00 O ATOM 1262 CB GLU A 83 13.216 -6.045 -0.875 1.00 0.00 C ATOM 1263 CG GLU A 83 13.809 -7.430 -0.607 1.00 0.00 C ATOM 1264 CD GLU A 83 12.924 -8.497 -1.254 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.726 -8.464 -1.026 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.460 -9.330 -1.967 1.00 0.00 O ATOM 0 H GLU A 83 15.274 -5.798 1.423 1.00 0.00 H new ATOM 0 HA GLU A 83 13.539 -4.049 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.128 -6.104 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.543 -5.680 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.820 -7.488 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.882 -7.605 0.466 1.00 0.00 H new ATOM 1273 N ASP A 84 11.554 -4.886 1.390 1.00 0.00 N ATOM 1274 CA ASP A 84 10.623 -5.046 2.541 1.00 0.00 C ATOM 1275 C ASP A 84 9.190 -4.958 2.013 1.00 0.00 C ATOM 1276 O ASP A 84 8.970 -4.642 0.861 1.00 0.00 O ATOM 1277 CB ASP A 84 10.865 -3.932 3.561 1.00 0.00 C ATOM 1278 CG ASP A 84 11.100 -4.546 4.942 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.140 -5.013 5.532 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.237 -4.540 5.386 1.00 0.00 O ATOM 0 H ASP A 84 11.142 -4.449 0.566 1.00 0.00 H new ATOM 0 HA ASP A 84 10.788 -6.008 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.728 -3.335 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.007 -3.260 3.591 1.00 0.00 H new ATOM 1285 N GLU A 85 8.213 -5.237 2.828 1.00 0.00 N ATOM 1286 CA GLU A 85 6.814 -5.167 2.335 1.00 0.00 C ATOM 1287 C GLU A 85 5.841 -5.017 3.507 1.00 0.00 C ATOM 1288 O GLU A 85 6.029 -5.584 4.565 1.00 0.00 O ATOM 1289 CB GLU A 85 6.510 -6.447 1.551 1.00 0.00 C ATOM 1290 CG GLU A 85 6.095 -7.571 2.507 1.00 0.00 C ATOM 1291 CD GLU A 85 7.156 -7.730 3.597 1.00 0.00 C ATOM 1292 OE1 GLU A 85 8.329 -7.645 3.271 1.00 0.00 O ATOM 1293 OE2 GLU A 85 6.778 -7.932 4.739 1.00 0.00 O ATOM 0 H GLU A 85 8.322 -5.508 3.805 1.00 0.00 H new ATOM 0 HA GLU A 85 6.695 -4.299 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.713 -6.260 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.389 -6.750 0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.128 -7.343 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.979 -8.506 1.958 1.00 0.00 H new ATOM 1300 N ALA A 86 4.799 -4.258 3.317 1.00 0.00 N ATOM 1301 CA ALA A 86 3.803 -4.066 4.404 1.00 0.00 C ATOM 1302 C ALA A 86 2.443 -4.585 3.934 1.00 0.00 C ATOM 1303 O ALA A 86 2.022 -4.337 2.819 1.00 0.00 O ATOM 1304 CB ALA A 86 3.700 -2.579 4.739 1.00 0.00 C ATOM 0 H ALA A 86 4.594 -3.760 2.451 1.00 0.00 H new ATOM 0 HA ALA A 86 4.114 -4.614 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.970 -2.435 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.672 -2.212 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.384 -2.028 3.854 1.00 0.00 H new ATOM 1310 N ILE A 87 1.754 -5.311 4.772 1.00 0.00 N ATOM 1311 CA ILE A 87 0.426 -5.852 4.372 1.00 0.00 C ATOM 1312 C ILE A 87 -0.677 -4.907 4.847 1.00 0.00 C ATOM 1313 O ILE A 87 -0.580 -4.297 5.893 1.00 0.00 O ATOM 1314 CB ILE A 87 0.230 -7.235 5.002 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.165 -7.772 4.646 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.384 -7.137 6.522 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.235 -7.143 5.549 1.00 0.00 C ATOM 0 H ILE A 87 2.054 -5.552 5.716 1.00 0.00 H new ATOM 0 HA ILE A 87 0.380 -5.939 3.286 1.00 0.00 H new ATOM 0 HB ILE A 87 0.984 -7.920 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.389 -7.553 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.182 -8.856 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.244 -8.122 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.381 -6.768 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.363 -6.450 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.215 -7.537 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.020 -7.384 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.231 -6.061 5.419 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.728 -4.784 4.085 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.843 -3.883 4.487 1.00 0.00 C ATOM 1331 C PHE A 88 -4.170 -4.478 4.012 1.00 0.00 C ATOM 1332 O PHE A 88 -4.585 -4.268 2.892 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.656 -2.504 3.845 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.304 -1.943 4.217 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.090 -1.416 5.496 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.263 -1.950 3.281 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.165 -0.898 5.839 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.991 -1.431 3.623 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.205 -0.906 4.903 1.00 0.00 C ATOM 0 H PHE A 88 -1.863 -5.270 3.199 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.847 -3.781 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.741 -2.583 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.444 -1.828 4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.893 -1.409 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.428 -2.356 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.330 -0.492 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.793 -1.436 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.173 -0.507 5.168 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.851 -5.202 4.857 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.157 -5.785 4.440 1.00 0.00 C ATOM 1351 C GLU A 89 -7.197 -4.674 4.509 1.00 0.00 C ATOM 1352 O GLU A 89 -7.510 -4.179 5.569 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.545 -6.919 5.392 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.215 -8.045 4.602 1.00 0.00 C ATOM 1355 CD GLU A 89 -8.683 -7.690 4.354 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -9.405 -7.530 5.324 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -9.059 -7.584 3.198 1.00 0.00 O ATOM 0 H GLU A 89 -4.562 -5.414 5.812 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.094 -6.190 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.660 -7.297 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.223 -6.547 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.700 -8.194 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.145 -8.983 5.153 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.707 -4.246 3.389 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.687 -3.128 3.419 1.00 0.00 C ATOM 1366 C VAL A 90 -10.110 -3.632 3.200 1.00 0.00 C ATOM 1367 O VAL A 90 -10.422 -4.260 2.208 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.326 -2.122 2.329 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.251 -0.907 2.427 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.874 -1.676 2.518 1.00 0.00 C ATOM 0 H VAL A 90 -7.490 -4.617 2.464 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.645 -2.655 4.400 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.443 -2.585 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.993 -0.189 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.285 -1.226 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.135 -0.439 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.610 -0.957 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.761 -1.211 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.216 -2.542 2.449 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.979 -3.332 4.124 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.399 -3.753 3.995 1.00 0.00 C ATOM 1382 C ILE A 91 -13.225 -2.536 3.580 1.00 0.00 C ATOM 1383 O ILE A 91 -12.883 -1.413 3.902 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.899 -4.252 5.348 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -14.246 -4.957 5.168 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -13.073 -3.054 6.282 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -14.012 -6.397 4.712 1.00 0.00 C ATOM 0 H ILE A 91 -10.762 -2.807 4.972 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.491 -4.547 3.254 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.180 -4.953 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.802 -4.947 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -14.851 -4.426 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.430 -3.398 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -12.116 -2.548 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.797 -2.361 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.971 -6.899 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -13.474 -6.396 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.424 -6.925 5.462 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.310 -2.733 2.891 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.130 -1.562 2.489 1.00 0.00 C ATOM 1401 C VAL A 92 -16.615 -1.887 2.618 1.00 0.00 C ATOM 1402 O VAL A 92 -17.120 -2.805 2.003 1.00 0.00 O ATOM 1403 CB VAL A 92 -14.792 -1.181 1.055 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.748 -0.087 0.578 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.357 -0.660 1.025 1.00 0.00 C ATOM 0 H VAL A 92 -14.662 -3.643 2.592 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.907 -0.721 3.146 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.891 -2.046 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.506 0.186 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.773 -0.454 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.648 0.789 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.093 -0.380 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.273 0.212 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.680 -1.439 1.375 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.317 -1.134 3.420 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.773 -1.392 3.600 1.00 0.00 C ATOM 1417 C GLN A 93 -19.500 -0.072 3.861 1.00 0.00 C ATOM 1418 O GLN A 93 -19.238 0.533 4.887 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.980 -2.330 4.791 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.950 -3.446 4.400 1.00 0.00 C ATOM 1421 CD GLN A 93 -21.129 -3.460 5.374 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -22.270 -3.375 4.965 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -20.901 -3.565 6.654 1.00 0.00 N ATOM 1424 OXT GLN A 93 -20.307 0.312 3.029 1.00 0.00 O ATOM 0 H GLN A 93 -16.945 -0.351 3.958 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.173 -1.853 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.026 -2.756 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.373 -1.773 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.307 -3.292 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -19.439 -4.409 4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -19.943 -3.636 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -21.681 -3.576 7.312 1.00 0.00 H new