USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 61 TYR OH : rot -99:sc= 0.217 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 36:sc= -0.0273 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 15 MET CE :methyl -146:sc= -0.439 (180deg=-1.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0215 K(o=-0.021,f=-0.87) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.751 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00469) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.806 K(o=-0.81,f=-1.7!) USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= 0.0822 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00474) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.017) USER MOD Single : A 78 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.056) USER MOD Single : A 86 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.4) USER MOD Single : A 87 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.044) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.289 -0.297 -1.702 1.00 12.34 N ATOM 19 CA THR A 2 5.493 -1.106 -1.844 1.00 54.34 C ATOM 20 C THR A 2 6.739 -0.306 -1.481 1.00 35.44 C ATOM 21 O THR A 2 7.733 -0.865 -1.017 1.00 34.31 O ATOM 22 CB THR A 2 5.642 -1.642 -3.281 1.00 31.14 C ATOM 23 OG1 THR A 2 4.406 -2.218 -3.719 1.00 44.14 O ATOM 24 CG2 THR A 2 6.748 -2.684 -3.357 1.00 40.40 C ATOM 0 HA THR A 2 5.392 -1.947 -1.158 1.00 54.34 H new ATOM 0 HB THR A 2 5.905 -0.808 -3.932 1.00 31.14 H new ATOM 0 HG1 THR A 2 3.657 -1.700 -3.357 1.00 44.14 H new ATOM 0 HG21 THR A 2 6.835 -3.048 -4.381 1.00 40.40 H new ATOM 0 HG22 THR A 2 7.693 -2.235 -3.050 1.00 40.40 H new ATOM 0 HG23 THR A 2 6.510 -3.516 -2.695 1.00 40.40 H new ATOM 32 N ARG A 3 6.678 1.004 -1.693 1.00 1.20 N ATOM 33 CA ARG A 3 7.803 1.880 -1.387 1.00 54.34 C ATOM 34 C ARG A 3 8.211 1.750 0.077 1.00 12.41 C ATOM 35 O ARG A 3 7.367 1.792 0.973 1.00 4.20 O ATOM 36 CB ARG A 3 7.444 3.334 -1.701 1.00 12.01 C ATOM 37 CG ARG A 3 7.229 3.603 -3.181 1.00 63.24 C ATOM 38 CD ARG A 3 7.598 5.032 -3.547 1.00 53.12 C ATOM 39 NE ARG A 3 7.196 5.369 -4.910 1.00 51.13 N ATOM 40 CZ ARG A 3 7.891 5.023 -5.988 1.00 74.21 C ATOM 41 NH1 ARG A 3 9.016 4.333 -5.862 1.00 73.42 N ATOM 42 NH2 ARG A 3 7.460 5.366 -7.195 1.00 40.43 N ATOM 0 H ARG A 3 5.862 1.482 -2.075 1.00 1.20 H new ATOM 0 HA ARG A 3 8.646 1.578 -2.009 1.00 54.34 H new ATOM 0 HB2 ARG A 3 6.538 3.601 -1.157 1.00 12.01 H new ATOM 0 HB3 ARG A 3 8.239 3.983 -1.334 1.00 12.01 H new ATOM 0 HG2 ARG A 3 7.830 2.909 -3.769 1.00 63.24 H new ATOM 0 HG3 ARG A 3 6.186 3.418 -3.438 1.00 63.24 H new ATOM 0 HD2 ARG A 3 7.122 5.720 -2.848 1.00 53.12 H new ATOM 0 HD3 ARG A 3 8.675 5.166 -3.443 1.00 53.12 H new ATOM 0 HE ARG A 3 6.334 5.899 -5.041 1.00 51.13 H new ATOM 0 HH11 ARG A 3 9.350 4.067 -4.936 1.00 73.42 H new ATOM 0 HH12 ARG A 3 9.548 4.069 -6.691 1.00 73.42 H new ATOM 0 HH21 ARG A 3 6.594 5.896 -7.296 1.00 40.43 H new ATOM 0 HH22 ARG A 3 7.994 5.100 -8.022 1.00 40.43 H new ATOM 56 N ASP A 4 9.509 1.592 0.312 1.00 14.12 N ATOM 57 CA ASP A 4 10.029 1.456 1.668 1.00 42.53 C ATOM 58 C ASP A 4 9.686 2.683 2.507 1.00 52.21 C ATOM 59 O ASP A 4 9.446 3.766 1.973 1.00 52.31 O ATOM 60 CB ASP A 4 11.545 1.252 1.637 1.00 54.12 C ATOM 61 CG ASP A 4 12.127 1.030 3.019 1.00 42.42 C ATOM 62 OD1 ASP A 4 11.537 0.248 3.793 1.00 12.45 O ATOM 63 OD2 ASP A 4 13.174 1.638 3.325 1.00 11.14 O ATOM 0 H ASP A 4 10.220 1.555 -0.418 1.00 14.12 H new ATOM 0 HA ASP A 4 9.562 0.584 2.125 1.00 42.53 H new ATOM 0 HB2 ASP A 4 11.781 0.396 1.005 1.00 54.12 H new ATOM 0 HB3 ASP A 4 12.017 2.123 1.183 1.00 54.12 H new ATOM 68 N PHE A 5 9.663 2.506 3.824 1.00 62.53 N ATOM 69 CA PHE A 5 9.347 3.597 4.737 1.00 1.42 C ATOM 70 C PHE A 5 10.620 4.216 5.307 1.00 64.03 C ATOM 71 O PHE A 5 11.729 3.784 4.992 1.00 64.31 O ATOM 72 CB PHE A 5 8.457 3.096 5.876 1.00 55.10 C ATOM 73 CG PHE A 5 6.988 3.214 5.585 1.00 52.22 C ATOM 74 CD1 PHE A 5 6.316 4.404 5.814 1.00 2.31 C ATOM 75 CD2 PHE A 5 6.279 2.136 5.081 1.00 31.54 C ATOM 76 CE1 PHE A 5 4.965 4.515 5.548 1.00 55.22 C ATOM 77 CE2 PHE A 5 4.927 2.241 4.813 1.00 61.33 C ATOM 78 CZ PHE A 5 4.269 3.433 5.045 1.00 24.43 C ATOM 0 H PHE A 5 9.860 1.616 4.283 1.00 62.53 H new ATOM 0 HA PHE A 5 8.811 4.363 4.176 1.00 1.42 H new ATOM 0 HB2 PHE A 5 8.696 2.052 6.081 1.00 55.10 H new ATOM 0 HB3 PHE A 5 8.687 3.659 6.781 1.00 55.10 H new ATOM 0 HD1 PHE A 5 6.855 5.255 6.205 1.00 2.31 H new ATOM 0 HD2 PHE A 5 6.789 1.202 4.895 1.00 31.54 H new ATOM 0 HE1 PHE A 5 4.453 5.448 5.733 1.00 55.22 H new ATOM 0 HE2 PHE A 5 4.386 1.392 4.423 1.00 61.33 H new ATOM 0 HZ PHE A 5 3.213 3.519 4.834 1.00 24.43 H new ATOM 88 N LYS A 6 10.453 5.232 6.147 1.00 71.50 N ATOM 89 CA LYS A 6 11.587 5.911 6.762 1.00 33.04 C ATOM 90 C LYS A 6 11.716 5.530 8.234 1.00 65.44 C ATOM 91 O LYS A 6 10.773 5.048 8.860 1.00 15.14 O ATOM 92 CB LYS A 6 11.432 7.428 6.630 1.00 61.35 C ATOM 93 CG LYS A 6 12.028 7.990 5.350 1.00 15.03 C ATOM 94 CD LYS A 6 11.442 9.351 5.014 1.00 53.12 C ATOM 95 CE LYS A 6 12.046 10.447 5.878 1.00 41.10 C ATOM 96 NZ LYS A 6 13.374 10.887 5.368 1.00 61.15 N ATOM 0 H LYS A 6 9.542 5.603 6.417 1.00 71.50 H new ATOM 0 HA LYS A 6 12.492 5.597 6.242 1.00 33.04 H new ATOM 0 HB2 LYS A 6 10.373 7.682 6.670 1.00 61.35 H new ATOM 0 HB3 LYS A 6 11.907 7.909 7.485 1.00 61.35 H new ATOM 0 HG2 LYS A 6 13.109 8.075 5.457 1.00 15.03 H new ATOM 0 HG3 LYS A 6 11.843 7.300 4.527 1.00 15.03 H new ATOM 0 HD2 LYS A 6 11.620 9.575 3.962 1.00 53.12 H new ATOM 0 HD3 LYS A 6 10.362 9.328 5.156 1.00 53.12 H new ATOM 0 HE2 LYS A 6 11.368 11.300 5.909 1.00 41.10 H new ATOM 0 HE3 LYS A 6 12.151 10.086 6.901 1.00 41.10 H new ATOM 0 HZ1 LYS A 6 13.752 11.635 5.984 1.00 61.15 H new ATOM 0 HZ2 LYS A 6 14.029 10.079 5.362 1.00 61.15 H new ATOM 0 HZ3 LYS A 6 13.270 11.255 4.401 1.00 61.15 H new ATOM 110 N PRO A 7 12.912 5.750 8.800 1.00 43.12 N ATOM 111 CA PRO A 7 13.193 5.438 10.204 1.00 14.44 C ATOM 112 C PRO A 7 12.458 6.369 11.163 1.00 54.43 C ATOM 113 O PRO A 7 12.676 7.580 11.157 1.00 51.10 O ATOM 114 CB PRO A 7 14.706 5.641 10.318 1.00 73.45 C ATOM 115 CG PRO A 7 15.040 6.608 9.235 1.00 4.35 C ATOM 116 CD PRO A 7 14.083 6.321 8.112 1.00 14.44 C ATOM 0 HA PRO A 7 12.863 4.434 10.472 1.00 14.44 H new ATOM 0 HB2 PRO A 7 14.980 6.033 11.297 1.00 73.45 H new ATOM 0 HB3 PRO A 7 15.243 4.701 10.189 1.00 73.45 H new ATOM 0 HG2 PRO A 7 14.935 7.635 9.584 1.00 4.35 H new ATOM 0 HG3 PRO A 7 16.073 6.486 8.908 1.00 4.35 H new ATOM 0 HD2 PRO A 7 13.825 7.226 7.563 1.00 14.44 H new ATOM 0 HD3 PRO A 7 14.507 5.621 7.392 1.00 14.44 H new ATOM 124 N GLY A 8 11.585 5.796 11.986 1.00 63.50 N ATOM 125 CA GLY A 8 10.832 6.589 12.939 1.00 52.31 C ATOM 126 C GLY A 8 9.528 7.103 12.362 1.00 14.43 C ATOM 127 O GLY A 8 9.068 8.189 12.719 1.00 23.51 O ATOM 0 H GLY A 8 11.386 4.796 12.009 1.00 63.50 H new ATOM 0 HA2 GLY A 8 10.622 5.987 13.823 1.00 52.31 H new ATOM 0 HA3 GLY A 8 11.439 7.433 13.265 1.00 52.31 H new ATOM 131 N ASP A 9 8.930 6.324 11.468 1.00 43.14 N ATOM 132 CA ASP A 9 7.671 6.707 10.839 1.00 21.15 C ATOM 133 C ASP A 9 6.490 6.043 11.541 1.00 41.12 C ATOM 134 O ASP A 9 6.575 4.890 11.965 1.00 33.14 O ATOM 135 CB ASP A 9 7.680 6.327 9.358 1.00 55.41 C ATOM 136 CG ASP A 9 8.074 7.488 8.465 1.00 31.52 C ATOM 137 OD1 ASP A 9 8.654 8.464 8.984 1.00 54.21 O ATOM 138 OD2 ASP A 9 7.802 7.419 7.248 1.00 1.20 O ATOM 0 H ASP A 9 9.297 5.423 11.162 1.00 43.14 H new ATOM 0 HA ASP A 9 7.562 7.788 10.927 1.00 21.15 H new ATOM 0 HB2 ASP A 9 8.374 5.501 9.202 1.00 55.41 H new ATOM 0 HB3 ASP A 9 6.690 5.971 9.071 1.00 55.41 H new ATOM 143 N LEU A 10 5.390 6.778 11.660 1.00 42.31 N ATOM 144 CA LEU A 10 4.191 6.262 12.311 1.00 63.41 C ATOM 145 C LEU A 10 3.340 5.462 11.329 1.00 3.15 C ATOM 146 O LEU A 10 2.813 6.010 10.361 1.00 64.34 O ATOM 147 CB LEU A 10 3.370 7.411 12.897 1.00 12.02 C ATOM 148 CG LEU A 10 4.088 8.300 13.913 1.00 64.12 C ATOM 149 CD1 LEU A 10 4.927 7.457 14.861 1.00 34.22 C ATOM 150 CD2 LEU A 10 4.956 9.328 13.202 1.00 42.12 C ATOM 0 H LEU A 10 5.303 7.734 11.314 1.00 42.31 H new ATOM 0 HA LEU A 10 4.502 5.599 13.118 1.00 63.41 H new ATOM 0 HB2 LEU A 10 3.023 8.039 12.076 1.00 12.02 H new ATOM 0 HB3 LEU A 10 2.484 6.992 13.374 1.00 12.02 H new ATOM 0 HG LEU A 10 3.337 8.830 14.498 1.00 64.12 H new ATOM 0 HD11 LEU A 10 5.431 8.107 15.577 1.00 34.22 H new ATOM 0 HD12 LEU A 10 4.282 6.759 15.395 1.00 34.22 H new ATOM 0 HD13 LEU A 10 5.671 6.900 14.291 1.00 34.22 H new ATOM 0 HD21 LEU A 10 5.460 9.952 13.940 1.00 42.12 H new ATOM 0 HD22 LEU A 10 5.700 8.816 12.592 1.00 42.12 H new ATOM 0 HD23 LEU A 10 4.331 9.953 12.564 1.00 42.12 H new ATOM 162 N ILE A 11 3.209 4.165 11.588 1.00 11.52 N ATOM 163 CA ILE A 11 2.419 3.292 10.729 1.00 21.14 C ATOM 164 C ILE A 11 1.820 2.136 11.523 1.00 13.13 C ATOM 165 O ILE A 11 2.396 1.683 12.512 1.00 4.12 O ATOM 166 CB ILE A 11 3.265 2.723 9.575 1.00 72.21 C ATOM 167 CG1 ILE A 11 4.483 1.978 10.125 1.00 1.40 C ATOM 168 CG2 ILE A 11 3.698 3.839 8.636 1.00 25.50 C ATOM 169 CD1 ILE A 11 4.217 0.519 10.420 1.00 31.15 C ATOM 0 H ILE A 11 3.639 3.696 12.385 1.00 11.52 H new ATOM 0 HA ILE A 11 1.615 3.900 10.314 1.00 21.14 H new ATOM 0 HB ILE A 11 2.656 2.017 9.011 1.00 72.21 H new ATOM 0 HG12 ILE A 11 5.299 2.052 9.406 1.00 1.40 H new ATOM 0 HG13 ILE A 11 4.817 2.470 11.038 1.00 1.40 H new ATOM 0 HG21 ILE A 11 4.295 3.421 7.825 1.00 25.50 H new ATOM 0 HG22 ILE A 11 2.817 4.329 8.222 1.00 25.50 H new ATOM 0 HG23 ILE A 11 4.293 4.568 9.187 1.00 25.50 H new ATOM 0 HD11 ILE A 11 5.124 0.055 10.806 1.00 31.15 H new ATOM 0 HD12 ILE A 11 3.423 0.437 11.162 1.00 31.15 H new ATOM 0 HD13 ILE A 11 3.912 0.012 9.504 1.00 31.15 H new ATOM 181 N PHE A 12 0.659 1.662 11.083 1.00 62.34 N ATOM 182 CA PHE A 12 -0.019 0.557 11.751 1.00 2.43 C ATOM 183 C PHE A 12 0.511 -0.785 11.257 1.00 23.42 C ATOM 184 O PHE A 12 0.355 -1.134 10.087 1.00 5.23 O ATOM 185 CB PHE A 12 -1.528 0.640 11.516 1.00 54.41 C ATOM 186 CG PHE A 12 -2.262 1.396 12.587 1.00 24.45 C ATOM 187 CD1 PHE A 12 -1.907 2.697 12.902 1.00 3.51 C ATOM 188 CD2 PHE A 12 -3.306 0.804 13.280 1.00 62.14 C ATOM 189 CE1 PHE A 12 -2.579 3.394 13.888 1.00 13.22 C ATOM 190 CE2 PHE A 12 -3.982 1.496 14.266 1.00 34.15 C ATOM 191 CZ PHE A 12 -3.619 2.793 14.570 1.00 11.24 C ATOM 0 H PHE A 12 0.168 2.026 10.266 1.00 62.34 H new ATOM 0 HA PHE A 12 0.180 0.635 12.820 1.00 2.43 H new ATOM 0 HB2 PHE A 12 -1.712 1.118 10.554 1.00 54.41 H new ATOM 0 HB3 PHE A 12 -1.934 -0.370 11.452 1.00 54.41 H new ATOM 0 HD1 PHE A 12 -1.096 3.172 12.371 1.00 3.51 H new ATOM 0 HD2 PHE A 12 -3.594 -0.210 13.046 1.00 62.14 H new ATOM 0 HE1 PHE A 12 -2.291 4.408 14.125 1.00 13.22 H new ATOM 0 HE2 PHE A 12 -4.794 1.023 14.799 1.00 34.15 H new ATOM 0 HZ PHE A 12 -4.147 3.336 15.339 1.00 11.24 H new ATOM 201 N ALA A 13 1.139 -1.535 12.158 1.00 51.42 N ATOM 202 CA ALA A 13 1.691 -2.839 11.815 1.00 21.30 C ATOM 203 C ALA A 13 0.603 -3.908 11.795 1.00 2.33 C ATOM 204 O ALA A 13 -0.217 -3.991 12.710 1.00 24.11 O ATOM 205 CB ALA A 13 2.791 -3.221 12.795 1.00 53.02 C ATOM 0 H ALA A 13 1.278 -1.261 13.131 1.00 51.42 H new ATOM 0 HA ALA A 13 2.118 -2.773 10.814 1.00 21.30 H new ATOM 0 HB1 ALA A 13 3.194 -4.197 12.527 1.00 53.02 H new ATOM 0 HB2 ALA A 13 3.587 -2.477 12.757 1.00 53.02 H new ATOM 0 HB3 ALA A 13 2.381 -3.263 13.804 1.00 53.02 H new ATOM 211 N LYS A 14 0.601 -4.724 10.747 1.00 53.55 N ATOM 212 CA LYS A 14 -0.386 -5.788 10.607 1.00 40.11 C ATOM 213 C LYS A 14 0.285 -7.158 10.625 1.00 10.43 C ATOM 214 O LYS A 14 0.926 -7.558 9.654 1.00 1.11 O ATOM 215 CB LYS A 14 -1.175 -5.612 9.308 1.00 75.43 C ATOM 216 CG LYS A 14 -2.069 -6.795 8.974 1.00 4.22 C ATOM 217 CD LYS A 14 -3.035 -7.101 10.106 1.00 2.43 C ATOM 218 CE LYS A 14 -4.299 -7.774 9.594 1.00 42.22 C ATOM 219 NZ LYS A 14 -4.007 -9.083 8.946 1.00 4.33 N ATOM 0 H LYS A 14 1.273 -4.669 9.981 1.00 53.55 H new ATOM 0 HA LYS A 14 -1.071 -5.727 11.452 1.00 40.11 H new ATOM 0 HB2 LYS A 14 -1.788 -4.714 9.384 1.00 75.43 H new ATOM 0 HB3 LYS A 14 -0.476 -5.452 8.487 1.00 75.43 H new ATOM 0 HG2 LYS A 14 -2.629 -6.583 8.064 1.00 4.22 H new ATOM 0 HG3 LYS A 14 -1.454 -7.672 8.773 1.00 4.22 H new ATOM 0 HD2 LYS A 14 -2.548 -7.747 10.837 1.00 2.43 H new ATOM 0 HD3 LYS A 14 -3.297 -6.177 10.622 1.00 2.43 H new ATOM 0 HE2 LYS A 14 -4.991 -7.925 10.422 1.00 42.22 H new ATOM 0 HE3 LYS A 14 -4.796 -7.118 8.879 1.00 42.22 H new ATOM 0 HZ1 LYS A 14 -4.899 -9.541 8.671 1.00 4.33 H new ATOM 0 HZ2 LYS A 14 -3.422 -8.929 8.100 1.00 4.33 H new ATOM 0 HZ3 LYS A 14 -3.495 -9.694 9.614 1.00 4.33 H new ATOM 233 N MET A 15 0.132 -7.872 11.735 1.00 14.15 N ATOM 234 CA MET A 15 0.721 -9.198 11.878 1.00 71.20 C ATOM 235 C MET A 15 -0.233 -10.274 11.369 1.00 21.41 C ATOM 236 O MET A 15 -1.433 -10.233 11.640 1.00 73.14 O ATOM 237 CB MET A 15 1.077 -9.467 13.341 1.00 4.33 C ATOM 238 CG MET A 15 2.526 -9.155 13.681 1.00 70.31 C ATOM 239 SD MET A 15 3.192 -10.249 14.950 1.00 3.33 S ATOM 240 CE MET A 15 1.864 -10.222 16.151 1.00 31.24 C ATOM 0 H MET A 15 -0.395 -7.555 12.549 1.00 14.15 H new ATOM 0 HA MET A 15 1.631 -9.230 11.279 1.00 71.20 H new ATOM 0 HB2 MET A 15 0.426 -8.871 13.980 1.00 4.33 H new ATOM 0 HB3 MET A 15 0.876 -10.514 13.569 1.00 4.33 H new ATOM 0 HG2 MET A 15 3.133 -9.239 12.779 1.00 70.31 H new ATOM 0 HG3 MET A 15 2.601 -8.122 14.021 1.00 70.31 H new ATOM 0 HE1 MET A 15 2.280 -10.295 17.156 1.00 31.24 H new ATOM 0 HE2 MET A 15 1.306 -9.290 16.056 1.00 31.24 H new ATOM 0 HE3 MET A 15 1.196 -11.064 15.973 1.00 31.24 H new ATOM 250 N LYS A 16 0.308 -11.237 10.631 1.00 65.24 N ATOM 251 CA LYS A 16 -0.493 -12.325 10.084 1.00 34.52 C ATOM 252 C LYS A 16 -1.310 -13.003 11.180 1.00 0.00 C ATOM 253 O LYS A 16 -0.760 -13.676 12.051 1.00 53.10 O ATOM 254 CB LYS A 16 0.407 -13.353 9.395 1.00 73.32 C ATOM 255 CG LYS A 16 0.830 -12.948 7.993 1.00 21.35 C ATOM 256 CD LYS A 16 -0.136 -13.473 6.945 1.00 35.32 C ATOM 257 CE LYS A 16 -1.308 -12.524 6.742 1.00 63.41 C ATOM 258 NZ LYS A 16 -1.950 -12.713 5.412 1.00 41.03 N ATOM 0 H LYS A 16 1.300 -11.286 10.398 1.00 65.24 H new ATOM 0 HA LYS A 16 -1.180 -11.903 9.350 1.00 34.52 H new ATOM 0 HB2 LYS A 16 1.298 -13.509 10.003 1.00 73.32 H new ATOM 0 HB3 LYS A 16 -0.117 -14.307 9.346 1.00 73.32 H new ATOM 0 HG2 LYS A 16 0.883 -11.861 7.928 1.00 21.35 H new ATOM 0 HG3 LYS A 16 1.831 -13.329 7.790 1.00 21.35 H new ATOM 0 HD2 LYS A 16 0.390 -13.611 6.000 1.00 35.32 H new ATOM 0 HD3 LYS A 16 -0.507 -14.452 7.249 1.00 35.32 H new ATOM 0 HE2 LYS A 16 -2.046 -12.685 7.528 1.00 63.41 H new ATOM 0 HE3 LYS A 16 -0.962 -11.495 6.835 1.00 63.41 H new ATOM 0 HZ1 LYS A 16 -2.744 -12.048 5.312 1.00 41.03 H new ATOM 0 HZ2 LYS A 16 -1.253 -12.535 4.661 1.00 41.03 H new ATOM 0 HZ3 LYS A 16 -2.303 -13.688 5.332 1.00 41.03 H new ATOM 272 N GLY A 17 -2.626 -12.821 11.129 1.00 32.53 N ATOM 273 CA GLY A 17 -3.497 -13.423 12.123 1.00 42.25 C ATOM 274 C GLY A 17 -3.749 -12.507 13.303 1.00 2.55 C ATOM 275 O GLY A 17 -4.115 -12.964 14.386 1.00 32.32 O ATOM 0 H GLY A 17 -3.105 -12.268 10.418 1.00 32.53 H new ATOM 0 HA2 GLY A 17 -4.448 -13.682 11.659 1.00 42.25 H new ATOM 0 HA3 GLY A 17 -3.051 -14.352 12.477 1.00 42.25 H new ATOM 279 N TYR A 18 -3.551 -11.209 13.097 1.00 62.55 N ATOM 280 CA TYR A 18 -3.755 -10.227 14.154 1.00 1.22 C ATOM 281 C TYR A 18 -4.241 -8.900 13.579 1.00 62.02 C ATOM 282 O TYR A 18 -3.973 -8.558 12.427 1.00 71.23 O ATOM 283 CB TYR A 18 -2.458 -10.012 14.937 1.00 52.24 C ATOM 284 CG TYR A 18 -1.807 -11.297 15.394 1.00 22.31 C ATOM 285 CD1 TYR A 18 -0.964 -12.011 14.550 1.00 14.31 C ATOM 286 CD2 TYR A 18 -2.034 -11.799 16.669 1.00 33.05 C ATOM 287 CE1 TYR A 18 -0.368 -13.186 14.963 1.00 25.14 C ATOM 288 CE2 TYR A 18 -1.441 -12.973 17.092 1.00 45.32 C ATOM 289 CZ TYR A 18 -0.608 -13.663 16.235 1.00 13.41 C ATOM 290 OH TYR A 18 -0.016 -14.833 16.652 1.00 50.15 O ATOM 0 H TYR A 18 -3.249 -10.813 12.207 1.00 62.55 H new ATOM 0 HA TYR A 18 -4.520 -10.611 14.829 1.00 1.22 H new ATOM 0 HB2 TYR A 18 -1.755 -9.460 14.314 1.00 52.24 H new ATOM 0 HB3 TYR A 18 -2.668 -9.391 15.808 1.00 52.24 H new ATOM 0 HD1 TYR A 18 -0.772 -11.640 13.554 1.00 14.31 H new ATOM 0 HD2 TYR A 18 -2.686 -11.262 17.342 1.00 33.05 H new ATOM 0 HE1 TYR A 18 0.283 -13.729 14.294 1.00 25.14 H new ATOM 0 HE2 TYR A 18 -1.628 -13.348 18.087 1.00 45.32 H new ATOM 0 HH TYR A 18 -0.288 -15.027 17.573 1.00 50.15 H new ATOM 300 N PRO A 19 -4.973 -8.133 14.400 1.00 2.21 N ATOM 301 CA PRO A 19 -5.511 -6.831 13.997 1.00 53.55 C ATOM 302 C PRO A 19 -4.420 -5.779 13.828 1.00 61.13 C ATOM 303 O PRO A 19 -3.252 -6.028 14.128 1.00 61.31 O ATOM 304 CB PRO A 19 -6.440 -6.456 15.155 1.00 62.35 C ATOM 305 CG PRO A 19 -5.897 -7.194 16.329 1.00 21.51 C ATOM 306 CD PRO A 19 -5.331 -8.477 15.786 1.00 23.43 C ATOM 0 HA PRO A 19 -6.011 -6.880 13.030 1.00 53.55 H new ATOM 0 HB2 PRO A 19 -6.441 -5.380 15.329 1.00 62.35 H new ATOM 0 HB3 PRO A 19 -7.470 -6.746 14.947 1.00 62.35 H new ATOM 0 HG2 PRO A 19 -5.127 -6.611 16.834 1.00 21.51 H new ATOM 0 HG3 PRO A 19 -6.679 -7.392 17.062 1.00 21.51 H new ATOM 0 HD2 PRO A 19 -4.462 -8.805 16.356 1.00 23.43 H new ATOM 0 HD3 PRO A 19 -6.061 -9.286 15.823 1.00 23.43 H new ATOM 314 N HIS A 20 -4.808 -4.602 13.346 1.00 64.42 N ATOM 315 CA HIS A 20 -3.861 -3.512 13.138 1.00 33.01 C ATOM 316 C HIS A 20 -3.494 -2.851 14.464 1.00 73.45 C ATOM 317 O HIS A 20 -4.310 -2.787 15.383 1.00 75.13 O ATOM 318 CB HIS A 20 -4.449 -2.473 12.183 1.00 74.22 C ATOM 319 CG HIS A 20 -5.110 -3.072 10.979 1.00 24.22 C ATOM 320 ND1 HIS A 20 -4.413 -3.730 9.988 1.00 64.12 N ATOM 321 CD2 HIS A 20 -6.412 -3.112 10.611 1.00 4.43 C ATOM 322 CE1 HIS A 20 -5.257 -4.147 9.061 1.00 11.33 C ATOM 323 NE2 HIS A 20 -6.477 -3.785 9.416 1.00 2.50 N ATOM 0 H HIS A 20 -5.770 -4.379 13.092 1.00 64.42 H new ATOM 0 HA HIS A 20 -2.956 -3.929 12.697 1.00 33.01 H new ATOM 0 HB2 HIS A 20 -5.176 -1.866 12.722 1.00 74.22 H new ATOM 0 HB3 HIS A 20 -3.655 -1.802 11.855 1.00 74.22 H new ATOM 0 HD2 HIS A 20 -7.245 -2.693 11.156 1.00 4.43 H new ATOM 0 HE1 HIS A 20 -4.994 -4.691 8.166 1.00 11.33 H new ATOM 0 HE2 HIS A 20 -7.329 -3.975 8.888 1.00 2.50 H new ATOM 331 N TRP A 21 -2.263 -2.363 14.554 1.00 24.23 N ATOM 332 CA TRP A 21 -1.788 -1.708 15.768 1.00 63.31 C ATOM 333 C TRP A 21 -0.777 -0.615 15.437 1.00 35.41 C ATOM 334 O TRP A 21 0.094 -0.780 14.583 1.00 72.30 O ATOM 335 CB TRP A 21 -1.158 -2.734 16.712 1.00 4.51 C ATOM 336 CG TRP A 21 -0.602 -2.125 17.964 1.00 63.20 C ATOM 337 CD1 TRP A 21 0.623 -1.540 18.117 1.00 55.40 C ATOM 338 CD2 TRP A 21 -1.249 -2.045 19.238 1.00 13.44 C ATOM 339 NE1 TRP A 21 0.775 -1.100 19.410 1.00 40.22 N ATOM 340 CE2 TRP A 21 -0.359 -1.397 20.118 1.00 55.24 C ATOM 341 CE3 TRP A 21 -2.495 -2.455 19.722 1.00 44.42 C ATOM 342 CZ2 TRP A 21 -0.677 -1.152 21.451 1.00 71.31 C ATOM 343 CZ3 TRP A 21 -2.808 -2.211 21.045 1.00 32.45 C ATOM 344 CH2 TRP A 21 -1.903 -1.565 21.898 1.00 52.45 C ATOM 0 H TRP A 21 -1.575 -2.408 13.802 1.00 24.23 H new ATOM 0 HA TRP A 21 -2.644 -1.248 16.262 1.00 63.31 H new ATOM 0 HB2 TRP A 21 -1.907 -3.479 16.980 1.00 4.51 H new ATOM 0 HB3 TRP A 21 -0.360 -3.259 16.187 1.00 4.51 H new ATOM 0 HD1 TRP A 21 1.363 -1.438 17.337 1.00 55.40 H new ATOM 0 HE1 TRP A 21 1.599 -0.628 19.782 1.00 40.22 H new ATOM 0 HE3 TRP A 21 -3.200 -2.953 19.073 1.00 44.42 H new ATOM 0 HZ2 TRP A 21 0.019 -0.654 22.109 1.00 71.31 H new ATOM 0 HZ3 TRP A 21 -3.768 -2.524 21.429 1.00 32.45 H new ATOM 0 HH2 TRP A 21 -2.178 -1.390 22.928 1.00 52.45 H new ATOM 355 N PRO A 22 -0.894 0.529 16.128 1.00 60.53 N ATOM 356 CA PRO A 22 0.002 1.671 15.924 1.00 30.23 C ATOM 357 C PRO A 22 1.415 1.396 16.428 1.00 51.21 C ATOM 358 O PRO A 22 1.620 1.123 17.610 1.00 4.41 O ATOM 359 CB PRO A 22 -0.651 2.785 16.746 1.00 75.12 C ATOM 360 CG PRO A 22 -1.434 2.073 17.795 1.00 70.13 C ATOM 361 CD PRO A 22 -1.909 0.795 17.161 1.00 70.32 C ATOM 0 HA PRO A 22 0.119 1.914 14.868 1.00 30.23 H new ATOM 0 HB2 PRO A 22 0.098 3.441 17.189 1.00 75.12 H new ATOM 0 HB3 PRO A 22 -1.295 3.409 16.126 1.00 75.12 H new ATOM 0 HG2 PRO A 22 -0.818 1.869 18.671 1.00 70.13 H new ATOM 0 HG3 PRO A 22 -2.276 2.678 18.132 1.00 70.13 H new ATOM 0 HD2 PRO A 22 -1.966 -0.016 17.887 1.00 70.32 H new ATOM 0 HD3 PRO A 22 -2.903 0.906 16.728 1.00 70.32 H new ATOM 369 N ALA A 23 2.385 1.471 15.523 1.00 25.31 N ATOM 370 CA ALA A 23 3.779 1.233 15.877 1.00 63.52 C ATOM 371 C ALA A 23 4.708 2.164 15.105 1.00 23.31 C ATOM 372 O ALA A 23 4.253 3.042 14.372 1.00 24.11 O ATOM 373 CB ALA A 23 4.149 -0.220 15.616 1.00 23.10 C ATOM 0 H ALA A 23 2.231 1.695 14.540 1.00 25.31 H new ATOM 0 HA ALA A 23 3.899 1.442 16.940 1.00 63.52 H new ATOM 0 HB1 ALA A 23 5.193 -0.384 15.885 1.00 23.10 H new ATOM 0 HB2 ALA A 23 3.513 -0.871 16.216 1.00 23.10 H new ATOM 0 HB3 ALA A 23 4.006 -0.448 14.560 1.00 23.10 H new ATOM 379 N ARG A 24 6.011 1.966 15.276 1.00 45.35 N ATOM 380 CA ARG A 24 7.004 2.790 14.596 1.00 2.02 C ATOM 381 C ARG A 24 7.980 1.924 13.805 1.00 22.24 C ATOM 382 O ARG A 24 8.062 0.713 14.014 1.00 52.22 O ATOM 383 CB ARG A 24 7.769 3.644 15.609 1.00 31.03 C ATOM 384 CG ARG A 24 8.828 2.873 16.380 1.00 71.32 C ATOM 385 CD ARG A 24 10.209 3.064 15.772 1.00 73.41 C ATOM 386 NE ARG A 24 11.221 3.339 16.788 1.00 32.32 N ATOM 387 CZ ARG A 24 11.421 4.540 17.320 1.00 64.55 C ATOM 388 NH1 ARG A 24 10.683 5.571 16.933 1.00 31.33 N ATOM 389 NH2 ARG A 24 12.362 4.711 18.240 1.00 70.53 N ATOM 0 H ARG A 24 6.404 1.243 15.879 1.00 45.35 H new ATOM 0 HA ARG A 24 6.480 3.445 13.900 1.00 2.02 H new ATOM 0 HB2 ARG A 24 8.245 4.474 15.086 1.00 31.03 H new ATOM 0 HB3 ARG A 24 7.060 4.077 16.315 1.00 31.03 H new ATOM 0 HG2 ARG A 24 8.837 3.205 17.418 1.00 71.32 H new ATOM 0 HG3 ARG A 24 8.575 1.813 16.386 1.00 71.32 H new ATOM 0 HD2 ARG A 24 10.487 2.169 15.216 1.00 73.41 H new ATOM 0 HD3 ARG A 24 10.180 3.887 15.057 1.00 73.41 H new ATOM 0 HE ARG A 24 11.806 2.567 17.107 1.00 32.32 H new ATOM 0 HH11 ARG A 24 9.960 5.443 16.225 1.00 31.33 H new ATOM 0 HH12 ARG A 24 10.839 6.492 17.343 1.00 31.33 H new ATOM 0 HH21 ARG A 24 12.932 3.920 18.539 1.00 70.53 H new ATOM 0 HH22 ARG A 24 12.515 5.633 18.648 1.00 70.53 H new ATOM 403 N VAL A 25 8.719 2.552 12.896 1.00 11.55 N ATOM 404 CA VAL A 25 9.690 1.840 12.075 1.00 72.04 C ATOM 405 C VAL A 25 11.112 2.090 12.563 1.00 2.20 C ATOM 406 O VAL A 25 11.468 3.213 12.921 1.00 10.02 O ATOM 407 CB VAL A 25 9.586 2.256 10.595 1.00 0.34 C ATOM 408 CG1 VAL A 25 10.616 1.513 9.758 1.00 52.41 C ATOM 409 CG2 VAL A 25 8.180 2.008 10.070 1.00 41.31 C ATOM 0 H VAL A 25 8.663 3.553 12.710 1.00 11.55 H new ATOM 0 HA VAL A 25 9.461 0.778 12.164 1.00 72.04 H new ATOM 0 HB VAL A 25 9.794 3.323 10.520 1.00 0.34 H new ATOM 0 HG11 VAL A 25 10.528 1.820 8.716 1.00 52.41 H new ATOM 0 HG12 VAL A 25 11.617 1.746 10.121 1.00 52.41 H new ATOM 0 HG13 VAL A 25 10.443 0.440 9.836 1.00 52.41 H new ATOM 0 HG21 VAL A 25 8.124 2.307 9.023 1.00 41.31 H new ATOM 0 HG22 VAL A 25 7.941 0.948 10.158 1.00 41.31 H new ATOM 0 HG23 VAL A 25 7.466 2.590 10.652 1.00 41.31 H new ATOM 419 N ASP A 26 11.922 1.037 12.574 1.00 34.04 N ATOM 420 CA ASP A 26 13.307 1.142 13.017 1.00 0.14 C ATOM 421 C ASP A 26 14.259 1.155 11.826 1.00 62.34 C ATOM 422 O ASP A 26 13.881 0.789 10.713 1.00 33.25 O ATOM 423 CB ASP A 26 13.655 -0.017 13.952 1.00 23.41 C ATOM 424 CG ASP A 26 14.497 0.424 15.133 1.00 12.04 C ATOM 425 OD1 ASP A 26 13.956 1.116 16.022 1.00 44.45 O ATOM 426 OD2 ASP A 26 15.695 0.076 15.170 1.00 4.34 O ATOM 0 H ASP A 26 11.643 0.101 12.281 1.00 34.04 H new ATOM 0 HA ASP A 26 13.419 2.081 13.559 1.00 0.14 H new ATOM 0 HB2 ASP A 26 12.735 -0.475 14.316 1.00 23.41 H new ATOM 0 HB3 ASP A 26 14.192 -0.783 13.392 1.00 23.41 H new ATOM 431 N GLU A 27 15.496 1.579 12.067 1.00 53.21 N ATOM 432 CA GLU A 27 16.501 1.641 11.012 1.00 12.12 C ATOM 433 C GLU A 27 16.899 0.240 10.558 1.00 63.13 C ATOM 434 O GLU A 27 16.393 -0.759 11.070 1.00 40.42 O ATOM 435 CB GLU A 27 17.736 2.402 11.498 1.00 0.13 C ATOM 436 CG GLU A 27 18.562 1.635 12.517 1.00 31.30 C ATOM 437 CD GLU A 27 19.537 2.523 13.265 1.00 20.44 C ATOM 438 OE1 GLU A 27 19.212 3.709 13.482 1.00 62.01 O ATOM 439 OE2 GLU A 27 20.624 2.032 13.634 1.00 24.21 O ATOM 0 H GLU A 27 15.826 1.884 12.983 1.00 53.21 H new ATOM 0 HA GLU A 27 16.068 2.170 10.163 1.00 12.12 H new ATOM 0 HB2 GLU A 27 18.365 2.643 10.641 1.00 0.13 H new ATOM 0 HB3 GLU A 27 17.420 3.348 11.937 1.00 0.13 H new ATOM 0 HG2 GLU A 27 17.895 1.152 13.231 1.00 31.30 H new ATOM 0 HG3 GLU A 27 19.113 0.843 12.010 1.00 31.30 H new ATOM 585 N ASN A 38 12.583 -9.823 3.222 1.00 61.34 N ATOM 586 CA ASN A 38 11.783 -8.728 2.686 1.00 45.35 C ATOM 587 C ASN A 38 10.869 -8.145 3.759 1.00 24.32 C ATOM 588 O ASN A 38 9.668 -7.982 3.546 1.00 32.21 O ATOM 589 CB ASN A 38 10.950 -9.211 1.497 1.00 34.34 C ATOM 590 CG ASN A 38 11.748 -9.253 0.209 1.00 44.40 C ATOM 591 OD1 ASN A 38 11.894 -8.241 -0.477 1.00 0.31 O ATOM 592 ND2 ASN A 38 12.270 -10.427 -0.126 1.00 4.11 N ATOM 0 HA ASN A 38 12.463 -7.945 2.350 1.00 45.35 H new ATOM 0 HB2 ASN A 38 10.559 -10.206 1.711 1.00 34.34 H new ATOM 0 HB3 ASN A 38 10.091 -8.552 1.367 1.00 34.34 H new ATOM 0 HD21 ASN A 38 12.817 -10.516 -0.982 1.00 4.11 H new ATOM 0 HD22 ASN A 38 12.124 -11.240 0.473 1.00 4.11 H new ATOM 599 N LYS A 39 11.447 -7.833 4.914 1.00 1.42 N ATOM 600 CA LYS A 39 10.687 -7.266 6.022 1.00 73.21 C ATOM 601 C LYS A 39 11.511 -6.225 6.772 1.00 43.45 C ATOM 602 O LYS A 39 12.742 -6.246 6.731 1.00 42.53 O ATOM 603 CB LYS A 39 10.247 -8.372 6.984 1.00 73.33 C ATOM 604 CG LYS A 39 9.727 -9.616 6.283 1.00 23.15 C ATOM 605 CD LYS A 39 8.741 -10.376 7.155 1.00 51.43 C ATOM 606 CE LYS A 39 8.026 -11.464 6.369 1.00 50.14 C ATOM 607 NZ LYS A 39 7.150 -12.294 7.241 1.00 11.21 N ATOM 0 H LYS A 39 12.440 -7.963 5.107 1.00 1.42 H new ATOM 0 HA LYS A 39 9.804 -6.777 5.611 1.00 73.21 H new ATOM 0 HB2 LYS A 39 11.090 -8.648 7.618 1.00 73.33 H new ATOM 0 HB3 LYS A 39 9.469 -7.983 7.640 1.00 73.33 H new ATOM 0 HG2 LYS A 39 9.244 -9.333 5.348 1.00 23.15 H new ATOM 0 HG3 LYS A 39 10.563 -10.266 6.026 1.00 23.15 H new ATOM 0 HD2 LYS A 39 9.268 -10.822 7.999 1.00 51.43 H new ATOM 0 HD3 LYS A 39 8.008 -9.682 7.567 1.00 51.43 H new ATOM 0 HE2 LYS A 39 7.427 -11.008 5.581 1.00 50.14 H new ATOM 0 HE3 LYS A 39 8.762 -12.103 5.881 1.00 50.14 H new ATOM 0 HZ1 LYS A 39 6.681 -13.024 6.668 1.00 11.21 H new ATOM 0 HZ2 LYS A 39 7.725 -12.750 7.978 1.00 11.21 H new ATOM 0 HZ3 LYS A 39 6.431 -11.689 7.687 1.00 11.21 H new ATOM 621 N LEU A 40 10.826 -5.316 7.456 1.00 2.44 N ATOM 622 CA LEU A 40 11.496 -4.266 8.217 1.00 34.22 C ATOM 623 C LEU A 40 11.151 -4.364 9.700 1.00 61.41 C ATOM 624 O LEU A 40 10.148 -4.962 10.091 1.00 1.41 O ATOM 625 CB LEU A 40 11.101 -2.889 7.680 1.00 21.24 C ATOM 626 CG LEU A 40 9.676 -2.762 7.140 1.00 22.34 C ATOM 627 CD1 LEU A 40 9.153 -1.348 7.341 1.00 64.23 C ATOM 628 CD2 LEU A 40 9.627 -3.148 5.669 1.00 1.41 C ATOM 0 H LEU A 40 9.807 -5.284 7.500 1.00 2.44 H new ATOM 0 HA LEU A 40 12.572 -4.399 8.103 1.00 34.22 H new ATOM 0 HB2 LEU A 40 11.232 -2.159 8.479 1.00 21.24 H new ATOM 0 HB3 LEU A 40 11.795 -2.619 6.884 1.00 21.24 H new ATOM 0 HG LEU A 40 9.035 -3.446 7.696 1.00 22.34 H new ATOM 0 HD11 LEU A 40 8.138 -1.277 6.951 1.00 64.23 H new ATOM 0 HD12 LEU A 40 9.151 -1.109 8.404 1.00 64.23 H new ATOM 0 HD13 LEU A 40 9.795 -0.644 6.812 1.00 64.23 H new ATOM 0 HD21 LEU A 40 8.605 -3.052 5.301 1.00 1.41 H new ATOM 0 HD22 LEU A 40 10.282 -2.490 5.098 1.00 1.41 H new ATOM 0 HD23 LEU A 40 9.959 -4.180 5.552 1.00 1.41 H new ATOM 640 N PRO A 41 12.000 -3.763 10.546 1.00 3.30 N ATOM 641 CA PRO A 41 11.805 -3.766 11.999 1.00 62.01 C ATOM 642 C PRO A 41 10.618 -2.909 12.426 1.00 23.54 C ATOM 643 O PRO A 41 10.559 -1.718 12.121 1.00 2.14 O ATOM 644 CB PRO A 41 13.112 -3.174 12.534 1.00 72.25 C ATOM 645 CG PRO A 41 13.634 -2.339 11.416 1.00 2.43 C ATOM 646 CD PRO A 41 13.216 -3.032 10.150 1.00 70.55 C ATOM 0 HA PRO A 41 11.586 -4.764 12.379 1.00 62.01 H new ATOM 0 HB2 PRO A 41 12.939 -2.575 13.428 1.00 72.25 H new ATOM 0 HB3 PRO A 41 13.819 -3.957 12.807 1.00 72.25 H new ATOM 0 HG2 PRO A 41 13.227 -1.329 11.460 1.00 2.43 H new ATOM 0 HG3 PRO A 41 14.719 -2.248 11.471 1.00 2.43 H new ATOM 0 HD2 PRO A 41 13.014 -2.320 9.350 1.00 70.55 H new ATOM 0 HD3 PRO A 41 13.991 -3.708 9.787 1.00 70.55 H new ATOM 654 N ILE A 42 9.676 -3.523 13.134 1.00 71.42 N ATOM 655 CA ILE A 42 8.492 -2.816 13.604 1.00 14.31 C ATOM 656 C ILE A 42 8.364 -2.905 15.121 1.00 73.41 C ATOM 657 O ILE A 42 8.034 -3.959 15.666 1.00 70.12 O ATOM 658 CB ILE A 42 7.209 -3.373 12.958 1.00 22.03 C ATOM 659 CG1 ILE A 42 7.385 -3.490 11.443 1.00 71.51 C ATOM 660 CG2 ILE A 42 6.019 -2.486 13.292 1.00 44.41 C ATOM 661 CD1 ILE A 42 7.670 -2.169 10.763 1.00 32.44 C ATOM 0 H ILE A 42 9.710 -4.509 13.395 1.00 71.42 H new ATOM 0 HA ILE A 42 8.612 -1.773 13.313 1.00 14.31 H new ATOM 0 HB ILE A 42 7.019 -4.368 13.361 1.00 22.03 H new ATOM 0 HG12 ILE A 42 8.201 -4.181 11.233 1.00 71.51 H new ATOM 0 HG13 ILE A 42 6.482 -3.923 11.013 1.00 71.51 H new ATOM 0 HG21 ILE A 42 5.120 -2.893 12.828 1.00 44.41 H new ATOM 0 HG22 ILE A 42 5.885 -2.449 14.373 1.00 44.41 H new ATOM 0 HG23 ILE A 42 6.198 -1.479 12.914 1.00 44.41 H new ATOM 0 HD11 ILE A 42 7.783 -2.329 9.691 1.00 32.44 H new ATOM 0 HD12 ILE A 42 6.843 -1.482 10.942 1.00 32.44 H new ATOM 0 HD13 ILE A 42 8.589 -1.744 11.165 1.00 32.44 H new ATOM 673 N PHE A 43 8.625 -1.792 15.798 1.00 23.31 N ATOM 674 CA PHE A 43 8.539 -1.744 17.253 1.00 72.30 C ATOM 675 C PHE A 43 7.104 -1.485 17.704 1.00 4.03 C ATOM 676 O PHE A 43 6.594 -0.372 17.579 1.00 52.32 O ATOM 677 CB PHE A 43 9.463 -0.657 17.804 1.00 4.04 C ATOM 678 CG PHE A 43 9.640 -0.719 19.295 1.00 73.23 C ATOM 679 CD1 PHE A 43 10.150 -1.857 19.898 1.00 21.32 C ATOM 680 CD2 PHE A 43 9.296 0.360 20.092 1.00 14.41 C ATOM 681 CE1 PHE A 43 10.313 -1.917 21.269 1.00 34.34 C ATOM 682 CE2 PHE A 43 9.456 0.306 21.464 1.00 43.31 C ATOM 683 CZ PHE A 43 9.966 -0.834 22.053 1.00 4.21 C ATOM 0 H PHE A 43 8.898 -0.911 15.362 1.00 23.31 H new ATOM 0 HA PHE A 43 8.855 -2.711 17.643 1.00 72.30 H new ATOM 0 HB2 PHE A 43 10.439 -0.745 17.326 1.00 4.04 H new ATOM 0 HB3 PHE A 43 9.063 0.320 17.534 1.00 4.04 H new ATOM 0 HD1 PHE A 43 10.423 -2.707 19.290 1.00 21.32 H new ATOM 0 HD2 PHE A 43 8.898 1.254 19.636 1.00 14.41 H new ATOM 0 HE1 PHE A 43 10.711 -2.810 21.727 1.00 34.34 H new ATOM 0 HE2 PHE A 43 9.183 1.154 22.074 1.00 43.31 H new ATOM 0 HZ PHE A 43 10.093 -0.879 23.125 1.00 4.21 H new ATOM 693 N PHE A 44 6.459 -2.521 18.230 1.00 64.24 N ATOM 694 CA PHE A 44 5.083 -2.407 18.699 1.00 62.35 C ATOM 695 C PHE A 44 5.007 -1.551 19.959 1.00 3.11 C ATOM 696 O PHE A 44 5.541 -1.918 21.006 1.00 64.21 O ATOM 697 CB PHE A 44 4.500 -3.794 18.975 1.00 73.51 C ATOM 698 CG PHE A 44 3.964 -4.475 17.748 1.00 53.33 C ATOM 699 CD1 PHE A 44 3.079 -3.819 16.907 1.00 73.31 C ATOM 700 CD2 PHE A 44 4.344 -5.770 17.435 1.00 4.22 C ATOM 701 CE1 PHE A 44 2.584 -4.442 15.777 1.00 72.25 C ATOM 702 CE2 PHE A 44 3.853 -6.398 16.306 1.00 2.52 C ATOM 703 CZ PHE A 44 2.971 -5.733 15.477 1.00 71.45 C ATOM 0 H PHE A 44 6.867 -3.449 18.342 1.00 64.24 H new ATOM 0 HA PHE A 44 4.498 -1.923 17.917 1.00 62.35 H new ATOM 0 HB2 PHE A 44 5.272 -4.421 19.421 1.00 73.51 H new ATOM 0 HB3 PHE A 44 3.699 -3.703 19.709 1.00 73.51 H new ATOM 0 HD1 PHE A 44 2.773 -2.809 17.137 1.00 73.31 H new ATOM 0 HD2 PHE A 44 5.032 -6.295 18.081 1.00 4.22 H new ATOM 0 HE1 PHE A 44 1.895 -3.920 15.129 1.00 72.25 H new ATOM 0 HE2 PHE A 44 4.159 -7.407 16.072 1.00 2.52 H new ATOM 0 HZ PHE A 44 2.584 -6.222 14.595 1.00 71.45 H new ATOM 713 N PHE A 45 4.340 -0.407 19.851 1.00 43.35 N ATOM 714 CA PHE A 45 4.195 0.504 20.980 1.00 21.23 C ATOM 715 C PHE A 45 3.206 -0.050 22.002 1.00 62.32 C ATOM 716 O PHE A 45 2.239 -0.722 21.645 1.00 1.40 O ATOM 717 CB PHE A 45 3.730 1.879 20.498 1.00 40.34 C ATOM 718 CG PHE A 45 4.860 2.819 20.186 1.00 73.43 C ATOM 719 CD1 PHE A 45 5.880 3.024 21.100 1.00 64.51 C ATOM 720 CD2 PHE A 45 4.901 3.497 18.978 1.00 14.23 C ATOM 721 CE1 PHE A 45 6.922 3.887 20.816 1.00 72.01 C ATOM 722 CE2 PHE A 45 5.939 4.361 18.689 1.00 45.55 C ATOM 723 CZ PHE A 45 6.951 4.558 19.609 1.00 74.41 C ATOM 0 H PHE A 45 3.891 -0.089 18.992 1.00 43.35 H new ATOM 0 HA PHE A 45 5.169 0.605 21.460 1.00 21.23 H new ATOM 0 HB2 PHE A 45 3.115 1.754 19.607 1.00 40.34 H new ATOM 0 HB3 PHE A 45 3.095 2.328 21.262 1.00 40.34 H new ATOM 0 HD1 PHE A 45 5.861 2.503 22.046 1.00 64.51 H new ATOM 0 HD2 PHE A 45 4.113 3.348 18.255 1.00 14.23 H new ATOM 0 HE1 PHE A 45 7.712 4.036 21.537 1.00 72.01 H new ATOM 0 HE2 PHE A 45 5.960 4.883 17.744 1.00 45.55 H new ATOM 0 HZ PHE A 45 7.762 5.235 19.385 1.00 74.41 H new ATOM 733 N GLY A 46 3.457 0.236 23.276 1.00 45.12 N ATOM 734 CA GLY A 46 2.582 -0.241 24.330 1.00 31.30 C ATOM 735 C GLY A 46 3.005 -1.594 24.867 1.00 4.14 C ATOM 736 O GLY A 46 2.903 -1.854 26.067 1.00 62.43 O ATOM 0 H GLY A 46 4.251 0.790 23.597 1.00 45.12 H new ATOM 0 HA2 GLY A 46 2.572 0.483 25.145 1.00 31.30 H new ATOM 0 HA3 GLY A 46 1.563 -0.307 23.950 1.00 31.30 H new ATOM 740 N THR A 47 3.482 -2.460 23.978 1.00 55.21 N ATOM 741 CA THR A 47 3.919 -3.794 24.369 1.00 42.14 C ATOM 742 C THR A 47 5.436 -3.922 24.283 1.00 72.14 C ATOM 743 O THR A 47 6.008 -4.931 24.697 1.00 41.22 O ATOM 744 CB THR A 47 3.273 -4.878 23.486 1.00 71.13 C ATOM 745 OG1 THR A 47 3.881 -4.881 22.189 1.00 13.22 O ATOM 746 CG2 THR A 47 1.776 -4.643 23.349 1.00 21.53 C ATOM 0 H THR A 47 3.575 -2.261 22.982 1.00 55.21 H new ATOM 0 HA THR A 47 3.602 -3.941 25.402 1.00 42.14 H new ATOM 0 HB THR A 47 3.431 -5.845 23.963 1.00 71.13 H new ATOM 0 HG1 THR A 47 3.365 -5.458 21.587 1.00 13.22 H new ATOM 0 HG21 THR A 47 1.342 -5.421 22.721 1.00 21.53 H new ATOM 0 HG22 THR A 47 1.312 -4.671 24.335 1.00 21.53 H new ATOM 0 HG23 THR A 47 1.601 -3.669 22.893 1.00 21.53 H new ATOM 754 N HIS A 48 6.082 -2.894 23.743 1.00 4.30 N ATOM 755 CA HIS A 48 7.534 -2.891 23.604 1.00 24.32 C ATOM 756 C HIS A 48 8.009 -4.122 22.837 1.00 12.11 C ATOM 757 O HIS A 48 9.140 -4.575 23.011 1.00 15.12 O ATOM 758 CB HIS A 48 8.199 -2.846 24.980 1.00 24.12 C ATOM 759 CG HIS A 48 8.264 -1.471 25.569 1.00 12.44 C ATOM 760 ND1 HIS A 48 7.284 -0.521 25.372 1.00 13.24 N ATOM 761 CD2 HIS A 48 9.198 -0.887 26.356 1.00 21.30 C ATOM 762 CE1 HIS A 48 7.613 0.588 26.011 1.00 63.31 C ATOM 763 NE2 HIS A 48 8.771 0.391 26.616 1.00 13.52 N ATOM 0 H HIS A 48 5.623 -2.052 23.394 1.00 4.30 H new ATOM 0 HA HIS A 48 7.819 -2.002 23.042 1.00 24.32 H new ATOM 0 HB2 HIS A 48 7.652 -3.498 25.660 1.00 24.12 H new ATOM 0 HB3 HIS A 48 9.210 -3.246 24.899 1.00 24.12 H new ATOM 0 HD2 HIS A 48 10.110 -1.342 26.713 1.00 21.30 H new ATOM 0 HE1 HIS A 48 7.034 1.500 26.035 1.00 63.31 H new ATOM 0 HE2 HIS A 48 9.267 1.078 27.184 1.00 13.52 H new ATOM 771 N GLU A 49 7.136 -4.658 21.989 1.00 3.51 N ATOM 772 CA GLU A 49 7.467 -5.837 21.197 1.00 12.43 C ATOM 773 C GLU A 49 8.073 -5.438 19.855 1.00 62.01 C ATOM 774 O GLU A 49 8.151 -4.255 19.522 1.00 52.13 O ATOM 775 CB GLU A 49 6.219 -6.693 20.972 1.00 51.15 C ATOM 776 CG GLU A 49 5.612 -7.234 22.255 1.00 71.21 C ATOM 777 CD GLU A 49 4.300 -7.958 22.020 1.00 63.11 C ATOM 778 OE1 GLU A 49 3.910 -8.112 20.844 1.00 34.40 O ATOM 779 OE2 GLU A 49 3.665 -8.371 23.013 1.00 51.52 O ATOM 0 H GLU A 49 6.196 -4.295 21.833 1.00 3.51 H new ATOM 0 HA GLU A 49 8.204 -6.420 21.749 1.00 12.43 H new ATOM 0 HB2 GLU A 49 5.470 -6.098 20.449 1.00 51.15 H new ATOM 0 HB3 GLU A 49 6.475 -7.529 20.321 1.00 51.15 H new ATOM 0 HG2 GLU A 49 6.319 -7.916 22.728 1.00 71.21 H new ATOM 0 HG3 GLU A 49 5.449 -6.411 22.951 1.00 71.21 H new ATOM 786 N THR A 50 8.503 -6.435 19.087 1.00 1.40 N ATOM 787 CA THR A 50 9.104 -6.190 17.782 1.00 2.52 C ATOM 788 C THR A 50 8.663 -7.239 16.768 1.00 43.41 C ATOM 789 O THR A 50 8.759 -8.439 17.021 1.00 64.02 O ATOM 790 CB THR A 50 10.642 -6.186 17.864 1.00 4.31 C ATOM 791 OG1 THR A 50 11.203 -6.207 16.547 1.00 62.33 O ATOM 792 CG2 THR A 50 11.145 -7.384 18.654 1.00 22.35 C ATOM 0 H THR A 50 8.446 -7.420 19.347 1.00 1.40 H new ATOM 0 HA THR A 50 8.762 -5.208 17.456 1.00 2.52 H new ATOM 0 HB THR A 50 10.954 -5.276 18.377 1.00 4.31 H new ATOM 0 HG1 THR A 50 12.181 -6.203 16.608 1.00 62.33 H new ATOM 0 HG21 THR A 50 12.234 -7.359 18.698 1.00 22.35 H new ATOM 0 HG22 THR A 50 10.740 -7.349 19.665 1.00 22.35 H new ATOM 0 HG23 THR A 50 10.822 -8.303 18.165 1.00 22.35 H new ATOM 800 N ALA A 51 8.180 -6.778 15.619 1.00 40.41 N ATOM 801 CA ALA A 51 7.727 -7.677 14.565 1.00 11.01 C ATOM 802 C ALA A 51 8.300 -7.270 13.212 1.00 40.01 C ATOM 803 O ALA A 51 8.471 -6.084 12.930 1.00 12.32 O ATOM 804 CB ALA A 51 6.207 -7.702 14.510 1.00 35.35 C ATOM 0 H ALA A 51 8.092 -5.787 15.394 1.00 40.41 H new ATOM 0 HA ALA A 51 8.088 -8.679 14.797 1.00 11.01 H new ATOM 0 HB1 ALA A 51 5.883 -8.377 13.718 1.00 35.35 H new ATOM 0 HB2 ALA A 51 5.814 -8.048 15.466 1.00 35.35 H new ATOM 0 HB3 ALA A 51 5.834 -6.698 14.306 1.00 35.35 H new ATOM 810 N PHE A 52 8.596 -8.261 12.378 1.00 61.13 N ATOM 811 CA PHE A 52 9.152 -8.006 11.054 1.00 41.10 C ATOM 812 C PHE A 52 8.092 -8.196 9.973 1.00 41.20 C ATOM 813 O PHE A 52 7.585 -9.300 9.771 1.00 21.24 O ATOM 814 CB PHE A 52 10.339 -8.934 10.789 1.00 63.05 C ATOM 815 CG PHE A 52 11.568 -8.575 11.574 1.00 21.11 C ATOM 816 CD1 PHE A 52 12.083 -7.289 11.531 1.00 32.42 C ATOM 817 CD2 PHE A 52 12.208 -9.523 12.356 1.00 62.21 C ATOM 818 CE1 PHE A 52 13.214 -6.957 12.253 1.00 51.24 C ATOM 819 CE2 PHE A 52 13.339 -9.196 13.080 1.00 64.42 C ATOM 820 CZ PHE A 52 13.842 -7.911 13.029 1.00 62.13 C ATOM 0 H PHE A 52 8.460 -9.248 12.595 1.00 61.13 H new ATOM 0 HA PHE A 52 9.495 -6.972 11.024 1.00 41.10 H new ATOM 0 HB2 PHE A 52 10.050 -9.957 11.029 1.00 63.05 H new ATOM 0 HB3 PHE A 52 10.577 -8.911 9.726 1.00 63.05 H new ATOM 0 HD1 PHE A 52 11.595 -6.538 10.927 1.00 32.42 H new ATOM 0 HD2 PHE A 52 11.818 -10.529 12.400 1.00 62.21 H new ATOM 0 HE1 PHE A 52 13.606 -5.952 12.210 1.00 51.24 H new ATOM 0 HE2 PHE A 52 13.829 -9.945 13.685 1.00 64.42 H new ATOM 0 HZ PHE A 52 14.725 -7.653 13.595 1.00 62.13 H new ATOM 830 N LEU A 53 7.761 -7.111 9.281 1.00 62.44 N ATOM 831 CA LEU A 53 6.761 -7.157 8.220 1.00 52.33 C ATOM 832 C LEU A 53 7.121 -6.197 7.090 1.00 21.12 C ATOM 833 O LEU A 53 7.406 -5.024 7.326 1.00 45.20 O ATOM 834 CB LEU A 53 5.380 -6.809 8.779 1.00 70.13 C ATOM 835 CG LEU A 53 5.016 -7.453 10.117 1.00 2.21 C ATOM 836 CD1 LEU A 53 3.834 -6.736 10.750 1.00 11.24 C ATOM 837 CD2 LEU A 53 4.709 -8.932 9.932 1.00 54.53 C ATOM 0 H LEU A 53 8.170 -6.190 9.436 1.00 62.44 H new ATOM 0 HA LEU A 53 6.740 -8.170 7.818 1.00 52.33 H new ATOM 0 HB2 LEU A 53 5.318 -5.727 8.891 1.00 70.13 H new ATOM 0 HB3 LEU A 53 4.629 -7.097 8.043 1.00 70.13 H new ATOM 0 HG LEU A 53 5.871 -7.362 10.787 1.00 2.21 H new ATOM 0 HD11 LEU A 53 3.589 -7.208 11.701 1.00 11.24 H new ATOM 0 HD12 LEU A 53 4.091 -5.690 10.919 1.00 11.24 H new ATOM 0 HD13 LEU A 53 2.973 -6.795 10.084 1.00 11.24 H new ATOM 0 HD21 LEU A 53 4.452 -9.373 10.895 1.00 54.53 H new ATOM 0 HD22 LEU A 53 3.870 -9.046 9.245 1.00 54.53 H new ATOM 0 HD23 LEU A 53 5.584 -9.437 9.523 1.00 54.53 H new ATOM 849 N GLY A 54 7.104 -6.704 5.861 1.00 33.32 N ATOM 850 CA GLY A 54 7.428 -5.878 4.713 1.00 23.21 C ATOM 851 C GLY A 54 6.559 -4.640 4.626 1.00 51.43 C ATOM 852 O GLY A 54 5.683 -4.409 5.460 1.00 24.41 O ATOM 0 H GLY A 54 6.872 -7.672 5.640 1.00 33.32 H new ATOM 0 HA2 GLY A 54 8.475 -5.580 4.768 1.00 23.21 H new ATOM 0 HA3 GLY A 54 7.311 -6.465 3.802 1.00 23.21 H new ATOM 856 N PRO A 55 6.799 -3.815 3.595 1.00 33.03 N ATOM 857 CA PRO A 55 6.042 -2.579 3.378 1.00 12.52 C ATOM 858 C PRO A 55 4.602 -2.847 2.955 1.00 34.12 C ATOM 859 O PRO A 55 3.690 -2.098 3.307 1.00 21.12 O ATOM 860 CB PRO A 55 6.810 -1.886 2.250 1.00 42.21 C ATOM 861 CG PRO A 55 7.495 -2.992 1.523 1.00 11.44 C ATOM 862 CD PRO A 55 7.827 -4.027 2.562 1.00 13.34 C ATOM 0 HA PRO A 55 5.964 -1.984 4.288 1.00 12.52 H new ATOM 0 HB2 PRO A 55 6.137 -1.337 1.592 1.00 42.21 H new ATOM 0 HB3 PRO A 55 7.528 -1.167 2.644 1.00 42.21 H new ATOM 0 HG2 PRO A 55 6.850 -3.409 0.749 1.00 11.44 H new ATOM 0 HG3 PRO A 55 8.397 -2.633 1.027 1.00 11.44 H new ATOM 0 HD2 PRO A 55 7.783 -5.036 2.152 1.00 13.34 H new ATOM 0 HD3 PRO A 55 8.832 -3.888 2.961 1.00 13.34 H new ATOM 870 N LYS A 56 4.403 -3.921 2.198 1.00 14.22 N ATOM 871 CA LYS A 56 3.073 -4.290 1.728 1.00 32.20 C ATOM 872 C LYS A 56 2.219 -4.823 2.874 1.00 21.32 C ATOM 873 O LYS A 56 1.014 -5.024 2.722 1.00 51.31 O ATOM 874 CB LYS A 56 3.175 -5.343 0.622 1.00 53.33 C ATOM 875 CG LYS A 56 3.299 -4.751 -0.772 1.00 14.55 C ATOM 876 CD LYS A 56 4.752 -4.533 -1.158 1.00 20.31 C ATOM 877 CE LYS A 56 5.443 -5.847 -1.490 1.00 31.24 C ATOM 878 NZ LYS A 56 5.068 -6.345 -2.842 1.00 42.12 N ATOM 0 H LYS A 56 5.146 -4.551 1.897 1.00 14.22 H new ATOM 0 HA LYS A 56 2.595 -3.396 1.328 1.00 32.20 H new ATOM 0 HB2 LYS A 56 4.039 -5.979 0.816 1.00 53.33 H new ATOM 0 HB3 LYS A 56 2.293 -5.983 0.659 1.00 53.33 H new ATOM 0 HG2 LYS A 56 2.826 -5.416 -1.494 1.00 14.55 H new ATOM 0 HG3 LYS A 56 2.764 -3.802 -0.814 1.00 14.55 H new ATOM 0 HD2 LYS A 56 4.805 -3.865 -2.018 1.00 20.31 H new ATOM 0 HD3 LYS A 56 5.277 -4.041 -0.339 1.00 20.31 H new ATOM 0 HE2 LYS A 56 6.523 -5.712 -1.440 1.00 31.24 H new ATOM 0 HE3 LYS A 56 5.180 -6.595 -0.742 1.00 31.24 H new ATOM 0 HZ1 LYS A 56 5.585 -7.224 -3.044 1.00 42.12 H new ATOM 0 HZ2 LYS A 56 4.045 -6.531 -2.872 1.00 42.12 H new ATOM 0 HZ3 LYS A 56 5.311 -5.629 -3.556 1.00 42.12 H new ATOM 892 N ASP A 57 2.851 -5.049 4.021 1.00 72.43 N ATOM 893 CA ASP A 57 2.148 -5.557 5.194 1.00 43.34 C ATOM 894 C ASP A 57 1.800 -4.422 6.151 1.00 14.33 C ATOM 895 O ASP A 57 0.803 -4.488 6.871 1.00 33.11 O ATOM 896 CB ASP A 57 3.001 -6.603 5.912 1.00 22.33 C ATOM 897 CG ASP A 57 2.721 -8.012 5.426 1.00 45.43 C ATOM 898 OD1 ASP A 57 2.406 -8.173 4.229 1.00 62.55 O ATOM 899 OD2 ASP A 57 2.817 -8.952 6.242 1.00 10.24 O ATOM 0 H ASP A 57 3.848 -4.889 4.163 1.00 72.43 H new ATOM 0 HA ASP A 57 1.221 -6.023 4.859 1.00 43.34 H new ATOM 0 HB2 ASP A 57 4.056 -6.373 5.761 1.00 22.33 H new ATOM 0 HB3 ASP A 57 2.812 -6.547 6.984 1.00 22.33 H new ATOM 904 N ILE A 58 2.627 -3.382 6.155 1.00 23.30 N ATOM 905 CA ILE A 58 2.406 -2.233 7.024 1.00 21.32 C ATOM 906 C ILE A 58 1.634 -1.136 6.299 1.00 32.34 C ATOM 907 O ILE A 58 1.910 -0.831 5.139 1.00 53.10 O ATOM 908 CB ILE A 58 3.736 -1.654 7.541 1.00 42.33 C ATOM 909 CG1 ILE A 58 4.672 -1.345 6.370 1.00 12.41 C ATOM 910 CG2 ILE A 58 4.395 -2.623 8.511 1.00 41.12 C ATOM 911 CD1 ILE A 58 5.924 -0.601 6.778 1.00 64.13 C ATOM 0 H ILE A 58 3.457 -3.312 5.566 1.00 23.30 H new ATOM 0 HA ILE A 58 1.820 -2.587 7.872 1.00 21.32 H new ATOM 0 HB ILE A 58 3.529 -0.725 8.072 1.00 42.33 H new ATOM 0 HG12 ILE A 58 4.956 -2.279 5.886 1.00 12.41 H new ATOM 0 HG13 ILE A 58 4.132 -0.754 5.630 1.00 12.41 H new ATOM 0 HG21 ILE A 58 5.334 -2.199 8.867 1.00 41.12 H new ATOM 0 HG22 ILE A 58 3.731 -2.798 9.358 1.00 41.12 H new ATOM 0 HG23 ILE A 58 4.593 -3.567 8.004 1.00 41.12 H new ATOM 0 HD11 ILE A 58 6.540 -0.416 5.898 1.00 64.13 H new ATOM 0 HD12 ILE A 58 5.650 0.350 7.235 1.00 64.13 H new ATOM 0 HD13 ILE A 58 6.486 -1.200 7.495 1.00 64.13 H new ATOM 923 N PHE A 59 0.666 -0.545 6.992 1.00 71.20 N ATOM 924 CA PHE A 59 -0.146 0.519 6.415 1.00 55.52 C ATOM 925 C PHE A 59 0.023 1.818 7.198 1.00 41.23 C ATOM 926 O PHE A 59 0.486 1.829 8.339 1.00 54.14 O ATOM 927 CB PHE A 59 -1.621 0.111 6.396 1.00 50.35 C ATOM 928 CG PHE A 59 -2.060 -0.490 5.091 1.00 45.12 C ATOM 929 CD1 PHE A 59 -1.605 -1.740 4.702 1.00 55.25 C ATOM 930 CD2 PHE A 59 -2.926 0.194 4.254 1.00 51.50 C ATOM 931 CE1 PHE A 59 -2.007 -2.295 3.501 1.00 1.21 C ATOM 932 CE2 PHE A 59 -3.331 -0.356 3.052 1.00 14.35 C ATOM 933 CZ PHE A 59 -2.872 -1.603 2.676 1.00 2.52 C ATOM 0 H PHE A 59 0.425 -0.785 7.954 1.00 71.20 H new ATOM 0 HA PHE A 59 0.192 0.685 5.392 1.00 55.52 H new ATOM 0 HB2 PHE A 59 -1.802 -0.607 7.196 1.00 50.35 H new ATOM 0 HB3 PHE A 59 -2.235 0.986 6.608 1.00 50.35 H new ATOM 0 HD1 PHE A 59 -0.929 -2.286 5.344 1.00 55.25 H new ATOM 0 HD2 PHE A 59 -3.289 1.169 4.544 1.00 51.50 H new ATOM 0 HE1 PHE A 59 -1.645 -3.269 3.208 1.00 1.21 H new ATOM 0 HE2 PHE A 59 -4.005 0.189 2.408 1.00 14.35 H new ATOM 0 HZ PHE A 59 -3.189 -2.036 1.739 1.00 2.52 H new ATOM 943 N PRO A 60 -0.359 2.941 6.571 1.00 73.43 N ATOM 944 CA PRO A 60 -0.259 4.266 7.189 1.00 74.00 C ATOM 945 C PRO A 60 -1.253 4.449 8.331 1.00 3.14 C ATOM 946 O PRO A 60 -2.431 4.115 8.202 1.00 2.31 O ATOM 947 CB PRO A 60 -0.587 5.220 6.038 1.00 41.14 C ATOM 948 CG PRO A 60 -1.424 4.415 5.105 1.00 61.33 C ATOM 949 CD PRO A 60 -0.919 3.002 5.210 1.00 12.11 C ATOM 0 HA PRO A 60 0.721 4.435 7.635 1.00 74.00 H new ATOM 0 HB2 PRO A 60 -1.124 6.099 6.394 1.00 41.14 H new ATOM 0 HB3 PRO A 60 0.319 5.577 5.549 1.00 41.14 H new ATOM 0 HG2 PRO A 60 -2.478 4.474 5.377 1.00 61.33 H new ATOM 0 HG3 PRO A 60 -1.337 4.786 4.084 1.00 61.33 H new ATOM 0 HD2 PRO A 60 -1.721 2.277 5.073 1.00 12.11 H new ATOM 0 HD3 PRO A 60 -0.163 2.788 4.454 1.00 12.11 H new ATOM 957 N TYR A 61 -0.770 4.981 9.449 1.00 53.33 N ATOM 958 CA TYR A 61 -1.616 5.207 10.615 1.00 61.11 C ATOM 959 C TYR A 61 -2.695 6.242 10.313 1.00 34.11 C ATOM 960 O TYR A 61 -3.664 6.381 11.060 1.00 41.20 O ATOM 961 CB TYR A 61 -0.770 5.668 11.803 1.00 21.30 C ATOM 962 CG TYR A 61 -0.762 7.167 11.995 1.00 11.44 C ATOM 963 CD1 TYR A 61 -0.020 7.991 11.158 1.00 71.15 C ATOM 964 CD2 TYR A 61 -1.495 7.761 13.015 1.00 35.33 C ATOM 965 CE1 TYR A 61 -0.009 9.362 11.330 1.00 73.42 C ATOM 966 CE2 TYR A 61 -1.492 9.131 13.194 1.00 23.51 C ATOM 967 CZ TYR A 61 -0.747 9.927 12.349 1.00 30.41 C ATOM 968 OH TYR A 61 -0.740 11.291 12.525 1.00 45.42 O ATOM 0 H TYR A 61 0.202 5.264 9.572 1.00 53.33 H new ATOM 0 HA TYR A 61 -2.102 4.265 10.867 1.00 61.11 H new ATOM 0 HB2 TYR A 61 -1.146 5.196 12.711 1.00 21.30 H new ATOM 0 HB3 TYR A 61 0.254 5.322 11.665 1.00 21.30 H new ATOM 0 HD1 TYR A 61 0.559 7.552 10.359 1.00 71.15 H new ATOM 0 HD2 TYR A 61 -2.078 7.141 13.680 1.00 35.33 H new ATOM 0 HE1 TYR A 61 0.574 9.987 10.670 1.00 73.42 H new ATOM 0 HE2 TYR A 61 -2.070 9.576 13.991 1.00 23.51 H new ATOM 0 HH TYR A 61 -0.114 11.525 13.241 1.00 45.42 H new ATOM 978 N SER A 62 -2.521 6.966 9.212 1.00 63.41 N ATOM 979 CA SER A 62 -3.477 7.991 8.811 1.00 33.42 C ATOM 980 C SER A 62 -4.782 7.360 8.335 1.00 71.43 C ATOM 981 O SER A 62 -5.817 8.022 8.271 1.00 42.42 O ATOM 982 CB SER A 62 -2.886 8.865 7.704 1.00 71.25 C ATOM 983 OG SER A 62 -3.503 10.140 7.677 1.00 44.43 O ATOM 0 H SER A 62 -1.726 6.861 8.581 1.00 63.41 H new ATOM 0 HA SER A 62 -3.690 8.614 9.680 1.00 33.42 H new ATOM 0 HB2 SER A 62 -1.813 8.980 7.861 1.00 71.25 H new ATOM 0 HB3 SER A 62 -3.017 8.374 6.740 1.00 71.25 H new ATOM 0 HG SER A 62 -3.107 10.680 6.962 1.00 44.43 H new ATOM 989 N GLU A 63 -4.723 6.074 8.002 1.00 73.05 N ATOM 990 CA GLU A 63 -5.900 5.353 7.530 1.00 40.30 C ATOM 991 C GLU A 63 -6.563 4.588 8.672 1.00 63.55 C ATOM 992 O GLU A 63 -7.772 4.362 8.661 1.00 21.55 O ATOM 993 CB GLU A 63 -5.517 4.387 6.407 1.00 34.53 C ATOM 994 CG GLU A 63 -5.591 5.004 5.021 1.00 43.10 C ATOM 995 CD GLU A 63 -6.994 4.986 4.448 1.00 74.13 C ATOM 996 OE1 GLU A 63 -7.940 4.678 5.203 1.00 52.35 O ATOM 997 OE2 GLU A 63 -7.146 5.280 3.243 1.00 35.24 O ATOM 0 H GLU A 63 -3.874 5.511 8.050 1.00 73.05 H new ATOM 0 HA GLU A 63 -6.612 6.083 7.144 1.00 40.30 H new ATOM 0 HB2 GLU A 63 -4.504 4.025 6.581 1.00 34.53 H new ATOM 0 HB3 GLU A 63 -6.176 3.520 6.445 1.00 34.53 H new ATOM 0 HG2 GLU A 63 -5.234 6.033 5.066 1.00 43.10 H new ATOM 0 HG3 GLU A 63 -4.922 4.464 4.351 1.00 43.10 H new ATOM 1004 N ASN A 64 -5.761 4.191 9.654 1.00 24.32 N ATOM 1005 CA ASN A 64 -6.268 3.449 10.803 1.00 52.21 C ATOM 1006 C ASN A 64 -6.739 4.400 11.899 1.00 55.00 C ATOM 1007 O ASN A 64 -7.768 4.171 12.536 1.00 60.33 O ATOM 1008 CB ASN A 64 -5.187 2.516 11.352 1.00 73.21 C ATOM 1009 CG ASN A 64 -4.776 1.455 10.349 1.00 22.14 C ATOM 1010 OD1 ASN A 64 -3.780 1.607 9.641 1.00 32.14 O ATOM 1011 ND2 ASN A 64 -5.543 0.373 10.285 1.00 60.12 N ATOM 0 H ASN A 64 -4.757 4.370 9.678 1.00 24.32 H new ATOM 0 HA ASN A 64 -7.119 2.853 10.473 1.00 52.21 H new ATOM 0 HB2 ASN A 64 -4.313 3.103 11.634 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -5.553 2.033 12.258 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -5.316 -0.375 9.630 1.00 60.12 H new ATOM 0 HD22 ASN A 64 -6.359 0.290 10.891 1.00 60.12 H new ATOM 1018 N LYS A 65 -5.980 5.469 12.114 1.00 53.23 N ATOM 1019 CA LYS A 65 -6.320 6.457 13.131 1.00 44.20 C ATOM 1020 C LYS A 65 -7.719 7.019 12.899 1.00 64.22 C ATOM 1021 O LYS A 65 -8.371 7.489 13.831 1.00 64.53 O ATOM 1022 CB LYS A 65 -5.295 7.594 13.129 1.00 52.23 C ATOM 1023 CG LYS A 65 -5.438 8.539 11.948 1.00 1.11 C ATOM 1024 CD LYS A 65 -4.404 9.651 11.996 1.00 41.41 C ATOM 1025 CE LYS A 65 -4.882 10.889 11.252 1.00 65.24 C ATOM 1026 NZ LYS A 65 -3.800 11.903 11.111 1.00 54.14 N ATOM 0 H LYS A 65 -5.125 5.673 11.597 1.00 53.23 H new ATOM 0 HA LYS A 65 -6.304 5.962 14.102 1.00 44.20 H new ATOM 0 HB2 LYS A 65 -5.394 8.163 14.053 1.00 52.23 H new ATOM 0 HB3 LYS A 65 -4.292 7.168 13.123 1.00 52.23 H new ATOM 0 HG2 LYS A 65 -5.330 7.980 11.018 1.00 1.11 H new ATOM 0 HG3 LYS A 65 -6.439 8.971 11.946 1.00 1.11 H new ATOM 0 HD2 LYS A 65 -4.192 9.908 13.034 1.00 41.41 H new ATOM 0 HD3 LYS A 65 -3.470 9.300 11.558 1.00 41.41 H new ATOM 0 HE2 LYS A 65 -5.242 10.603 10.264 1.00 65.24 H new ATOM 0 HE3 LYS A 65 -5.726 11.329 11.784 1.00 65.24 H new ATOM 0 HZ1 LYS A 65 -4.165 12.731 10.599 1.00 54.14 H new ATOM 0 HZ2 LYS A 65 -3.473 12.195 12.054 1.00 54.14 H new ATOM 0 HZ3 LYS A 65 -3.005 11.491 10.582 1.00 54.14 H new ATOM 1040 N GLU A 66 -8.173 6.965 11.651 1.00 54.32 N ATOM 1041 CA GLU A 66 -9.496 7.469 11.298 1.00 22.41 C ATOM 1042 C GLU A 66 -10.559 6.393 11.501 1.00 12.12 C ATOM 1043 O GLU A 66 -11.751 6.691 11.591 1.00 64.51 O ATOM 1044 CB GLU A 66 -9.512 7.950 9.846 1.00 72.43 C ATOM 1045 CG GLU A 66 -9.259 6.843 8.835 1.00 12.32 C ATOM 1046 CD GLU A 66 -9.676 7.231 7.430 1.00 65.24 C ATOM 1047 OE1 GLU A 66 -8.852 7.839 6.714 1.00 11.11 O ATOM 1048 OE2 GLU A 66 -10.824 6.926 7.045 1.00 2.41 O ATOM 0 H GLU A 66 -7.646 6.578 10.868 1.00 54.32 H new ATOM 0 HA GLU A 66 -9.724 8.309 11.954 1.00 22.41 H new ATOM 0 HB2 GLU A 66 -10.478 8.410 9.635 1.00 72.43 H new ATOM 0 HB3 GLU A 66 -8.756 8.725 9.720 1.00 72.43 H new ATOM 0 HG2 GLU A 66 -8.199 6.588 8.838 1.00 12.32 H new ATOM 0 HG3 GLU A 66 -9.803 5.948 9.138 1.00 12.32 H new ATOM 1055 N LYS A 67 -10.120 5.141 11.572 1.00 1.14 N ATOM 1056 CA LYS A 67 -11.032 4.020 11.765 1.00 24.35 C ATOM 1057 C LYS A 67 -11.525 3.961 13.208 1.00 44.42 C ATOM 1058 O LYS A 67 -12.721 4.087 13.471 1.00 41.25 O ATOM 1059 CB LYS A 67 -10.340 2.705 11.398 1.00 33.31 C ATOM 1060 CG LYS A 67 -10.141 2.519 9.904 1.00 45.41 C ATOM 1061 CD LYS A 67 -11.459 2.264 9.192 1.00 3.34 C ATOM 1062 CE LYS A 67 -12.074 0.939 9.616 1.00 5.22 C ATOM 1063 NZ LYS A 67 -13.327 1.134 10.396 1.00 74.53 N ATOM 0 H LYS A 67 -9.137 4.877 11.499 1.00 1.14 H new ATOM 0 HA LYS A 67 -11.892 4.167 11.112 1.00 24.35 H new ATOM 0 HB2 LYS A 67 -9.370 2.664 11.893 1.00 33.31 H new ATOM 0 HB3 LYS A 67 -10.930 1.874 11.784 1.00 33.31 H new ATOM 0 HG2 LYS A 67 -9.667 3.407 9.486 1.00 45.41 H new ATOM 0 HG3 LYS A 67 -9.464 1.683 9.728 1.00 45.41 H new ATOM 0 HD2 LYS A 67 -12.154 3.075 9.409 1.00 3.34 H new ATOM 0 HD3 LYS A 67 -11.297 2.263 8.114 1.00 3.34 H new ATOM 0 HE2 LYS A 67 -12.286 0.338 8.732 1.00 5.22 H new ATOM 0 HE3 LYS A 67 -11.356 0.381 10.216 1.00 5.22 H new ATOM 0 HZ1 LYS A 67 -13.229 0.685 11.329 1.00 74.53 H new ATOM 0 HZ2 LYS A 67 -13.505 2.151 10.518 1.00 74.53 H new ATOM 0 HZ3 LYS A 67 -14.124 0.702 9.886 1.00 74.53 H new ATOM 1077 N TYR A 68 -10.596 3.772 14.138 1.00 21.43 N ATOM 1078 CA TYR A 68 -10.937 3.696 15.554 1.00 63.00 C ATOM 1079 C TYR A 68 -10.016 4.586 16.384 1.00 33.51 C ATOM 1080 O TYR A 68 -10.376 5.023 17.476 1.00 53.41 O ATOM 1081 CB TYR A 68 -10.846 2.250 16.045 1.00 13.23 C ATOM 1082 CG TYR A 68 -10.953 1.227 14.938 1.00 63.54 C ATOM 1083 CD1 TYR A 68 -12.187 0.727 14.542 1.00 15.14 C ATOM 1084 CD2 TYR A 68 -9.818 0.759 14.286 1.00 50.45 C ATOM 1085 CE1 TYR A 68 -12.289 -0.209 13.532 1.00 51.25 C ATOM 1086 CE2 TYR A 68 -9.910 -0.175 13.272 1.00 33.35 C ATOM 1087 CZ TYR A 68 -11.148 -0.657 12.899 1.00 2.35 C ATOM 1088 OH TYR A 68 -11.245 -1.588 11.891 1.00 10.10 O ATOM 0 H TYR A 68 -9.601 3.669 13.937 1.00 21.43 H new ATOM 0 HA TYR A 68 -11.961 4.050 15.675 1.00 63.00 H new ATOM 0 HB2 TYR A 68 -9.899 2.111 16.566 1.00 13.23 H new ATOM 0 HB3 TYR A 68 -11.639 2.071 16.771 1.00 13.23 H new ATOM 0 HD1 TYR A 68 -13.083 1.077 15.033 1.00 15.14 H new ATOM 0 HD2 TYR A 68 -8.847 1.132 14.577 1.00 50.45 H new ATOM 0 HE1 TYR A 68 -13.257 -0.588 13.239 1.00 51.25 H new ATOM 0 HE2 TYR A 68 -9.018 -0.526 12.774 1.00 33.35 H new ATOM 0 HH TYR A 68 -10.350 -1.796 11.550 1.00 10.10 H new ATOM 1098 N GLY A 69 -8.825 4.849 15.856 1.00 4.04 N ATOM 1099 CA GLY A 69 -7.870 5.685 16.560 1.00 10.24 C ATOM 1100 C GLY A 69 -7.214 4.965 17.722 1.00 52.01 C ATOM 1101 O GLY A 69 -6.194 5.414 18.245 1.00 62.25 O ATOM 0 H GLY A 69 -8.504 4.498 14.954 1.00 4.04 H new ATOM 0 HA2 GLY A 69 -7.101 6.019 15.863 1.00 10.24 H new ATOM 0 HA3 GLY A 69 -8.376 6.578 16.929 1.00 10.24 H new ATOM 1105 N LYS A 70 -7.802 3.845 18.129 1.00 64.10 N ATOM 1106 CA LYS A 70 -7.269 3.060 19.237 1.00 53.24 C ATOM 1107 C LYS A 70 -7.596 1.581 19.062 1.00 70.54 C ATOM 1108 O LYS A 70 -8.496 1.203 18.310 1.00 5.43 O ATOM 1109 CB LYS A 70 -7.837 3.565 20.565 1.00 24.13 C ATOM 1110 CG LYS A 70 -9.262 4.081 20.462 1.00 65.45 C ATOM 1111 CD LYS A 70 -9.296 5.584 20.241 1.00 60.55 C ATOM 1112 CE LYS A 70 -10.668 6.161 20.550 1.00 15.15 C ATOM 1113 NZ LYS A 70 -10.892 6.305 22.016 1.00 45.32 N ATOM 0 H LYS A 70 -8.648 3.460 17.708 1.00 64.10 H new ATOM 0 HA LYS A 70 -6.185 3.176 19.244 1.00 53.24 H new ATOM 0 HB2 LYS A 70 -7.805 2.756 21.295 1.00 24.13 H new ATOM 0 HB3 LYS A 70 -7.198 4.362 20.944 1.00 24.13 H new ATOM 0 HG2 LYS A 70 -9.773 3.580 19.640 1.00 65.45 H new ATOM 0 HG3 LYS A 70 -9.806 3.834 21.374 1.00 65.45 H new ATOM 0 HD2 LYS A 70 -8.548 6.063 20.873 1.00 60.55 H new ATOM 0 HD3 LYS A 70 -9.030 5.807 19.208 1.00 60.55 H new ATOM 0 HE2 LYS A 70 -10.769 7.134 20.070 1.00 15.15 H new ATOM 0 HE3 LYS A 70 -11.437 5.515 20.127 1.00 15.15 H new ATOM 0 HZ1 LYS A 70 -11.810 6.764 22.183 1.00 45.32 H new ATOM 0 HZ2 LYS A 70 -10.888 5.365 22.462 1.00 45.32 H new ATOM 0 HZ3 LYS A 70 -10.134 6.887 22.427 1.00 45.32 H new ATOM 1127 N PRO A 71 -6.850 0.721 19.772 1.00 74.14 N ATOM 1128 CA PRO A 71 -7.044 -0.731 19.713 1.00 51.12 C ATOM 1129 C PRO A 71 -8.349 -1.169 20.369 1.00 52.32 C ATOM 1130 O PRO A 71 -8.797 -0.567 21.344 1.00 63.00 O ATOM 1131 CB PRO A 71 -5.845 -1.281 20.489 1.00 42.40 C ATOM 1132 CG PRO A 71 -5.456 -0.180 21.415 1.00 41.14 C ATOM 1133 CD PRO A 71 -5.761 1.100 20.687 1.00 12.21 C ATOM 0 HA PRO A 71 -7.107 -1.092 18.686 1.00 51.12 H new ATOM 0 HB2 PRO A 71 -6.109 -2.185 21.038 1.00 42.40 H new ATOM 0 HB3 PRO A 71 -5.026 -1.543 19.819 1.00 42.40 H new ATOM 0 HG2 PRO A 71 -6.014 -0.240 22.349 1.00 41.14 H new ATOM 0 HG3 PRO A 71 -4.398 -0.241 21.671 1.00 41.14 H new ATOM 0 HD2 PRO A 71 -6.069 1.889 21.373 1.00 12.21 H new ATOM 0 HD3 PRO A 71 -4.891 1.471 20.145 1.00 12.21 H new ATOM 1141 N ASN A 72 -8.955 -2.221 19.827 1.00 3.51 N ATOM 1142 CA ASN A 72 -10.209 -2.739 20.360 1.00 13.35 C ATOM 1143 C ASN A 72 -9.958 -3.922 21.290 1.00 4.02 C ATOM 1144 O ASN A 72 -10.340 -3.899 22.460 1.00 21.03 O ATOM 1145 CB ASN A 72 -11.137 -3.161 19.219 1.00 11.34 C ATOM 1146 CG ASN A 72 -12.316 -2.220 19.055 1.00 65.43 C ATOM 1147 OD1 ASN A 72 -12.149 -1.056 18.693 1.00 4.52 O ATOM 1148 ND2 ASN A 72 -13.515 -2.724 19.320 1.00 14.33 N ATOM 0 H ASN A 72 -8.597 -2.731 19.019 1.00 3.51 H new ATOM 0 HA ASN A 72 -10.687 -1.944 20.933 1.00 13.35 H new ATOM 0 HB2 ASN A 72 -10.571 -3.196 18.288 1.00 11.34 H new ATOM 0 HB3 ASN A 72 -11.504 -4.170 19.407 1.00 11.34 H new ATOM 0 HD21 ASN A 72 -14.346 -2.140 19.226 1.00 14.33 H new ATOM 0 HD22 ASN A 72 -13.605 -3.695 19.617 1.00 14.33 H new ATOM 1155 N LYS A 73 -9.311 -4.955 20.762 1.00 72.54 N ATOM 1156 CA LYS A 73 -9.006 -6.148 21.543 1.00 64.12 C ATOM 1157 C LYS A 73 -7.500 -6.387 21.605 1.00 74.25 C ATOM 1158 O LYS A 73 -7.046 -7.530 21.662 1.00 1.10 O ATOM 1159 CB LYS A 73 -9.703 -7.370 20.940 1.00 25.02 C ATOM 1160 CG LYS A 73 -9.938 -8.490 21.939 1.00 65.24 C ATOM 1161 CD LYS A 73 -10.561 -9.707 21.275 1.00 11.23 C ATOM 1162 CE LYS A 73 -9.560 -10.434 20.390 1.00 0.53 C ATOM 1163 NZ LYS A 73 -10.113 -11.710 19.859 1.00 55.31 N ATOM 0 H LYS A 73 -8.987 -4.990 19.795 1.00 72.54 H new ATOM 0 HA LYS A 73 -9.374 -5.992 22.557 1.00 64.12 H new ATOM 0 HB2 LYS A 73 -10.661 -7.062 20.521 1.00 25.02 H new ATOM 0 HB3 LYS A 73 -9.101 -7.751 20.115 1.00 25.02 H new ATOM 0 HG2 LYS A 73 -8.992 -8.771 22.401 1.00 65.24 H new ATOM 0 HG3 LYS A 73 -10.590 -8.136 22.737 1.00 65.24 H new ATOM 0 HD2 LYS A 73 -10.934 -10.388 22.039 1.00 11.23 H new ATOM 0 HD3 LYS A 73 -11.419 -9.398 20.678 1.00 11.23 H new ATOM 0 HE2 LYS A 73 -9.274 -9.789 19.559 1.00 0.53 H new ATOM 0 HE3 LYS A 73 -8.654 -10.640 20.960 1.00 0.53 H new ATOM 0 HZ1 LYS A 73 -9.400 -12.175 19.261 1.00 55.31 H new ATOM 0 HZ2 LYS A 73 -10.362 -12.336 20.651 1.00 55.31 H new ATOM 0 HZ3 LYS A 73 -10.963 -11.511 19.294 1.00 55.31 H new ATOM 1177 N ARG A 74 -6.733 -5.303 21.594 1.00 44.53 N ATOM 1178 CA ARG A 74 -5.279 -5.395 21.649 1.00 64.13 C ATOM 1179 C ARG A 74 -4.740 -4.742 22.918 1.00 20.23 C ATOM 1180 O ARG A 74 -4.938 -3.549 23.148 1.00 32.02 O ATOM 1181 CB ARG A 74 -4.657 -4.732 20.418 1.00 11.12 C ATOM 1182 CG ARG A 74 -4.868 -5.515 19.133 1.00 65.14 C ATOM 1183 CD ARG A 74 -4.247 -6.901 19.217 1.00 51.13 C ATOM 1184 NE ARG A 74 -5.257 -7.945 19.368 1.00 13.43 N ATOM 1185 CZ ARG A 74 -4.972 -9.205 19.676 1.00 44.12 C ATOM 1186 NH1 ARG A 74 -3.713 -9.576 19.864 1.00 44.23 N ATOM 1187 NH2 ARG A 74 -5.946 -10.097 19.796 1.00 34.12 N ATOM 0 H ARG A 74 -7.094 -4.350 21.547 1.00 44.53 H new ATOM 0 HA ARG A 74 -5.008 -6.451 21.661 1.00 64.13 H new ATOM 0 HB2 ARG A 74 -5.081 -3.735 20.300 1.00 11.12 H new ATOM 0 HB3 ARG A 74 -3.587 -4.606 20.585 1.00 11.12 H new ATOM 0 HG2 ARG A 74 -5.935 -5.605 18.932 1.00 65.14 H new ATOM 0 HG3 ARG A 74 -4.431 -4.969 18.297 1.00 65.14 H new ATOM 0 HD2 ARG A 74 -3.661 -7.091 18.318 1.00 51.13 H new ATOM 0 HD3 ARG A 74 -3.558 -6.939 20.060 1.00 51.13 H new ATOM 0 HE ARG A 74 -6.235 -7.692 19.229 1.00 13.43 H new ATOM 0 HH11 ARG A 74 -2.961 -8.893 19.772 1.00 44.23 H new ATOM 0 HH12 ARG A 74 -3.497 -10.544 20.101 1.00 44.23 H new ATOM 0 HH21 ARG A 74 -6.916 -9.816 19.652 1.00 34.12 H new ATOM 0 HH22 ARG A 74 -5.725 -11.064 20.033 1.00 34.12 H new ATOM 1201 N LYS A 75 -4.058 -5.533 23.740 1.00 0.43 N ATOM 1202 CA LYS A 75 -3.489 -5.033 24.987 1.00 75.05 C ATOM 1203 C LYS A 75 -2.543 -3.866 24.724 1.00 64.44 C ATOM 1204 O LYS A 75 -1.859 -3.828 23.702 1.00 43.33 O ATOM 1205 CB LYS A 75 -2.745 -6.153 25.717 1.00 71.23 C ATOM 1206 CG LYS A 75 -2.579 -5.903 27.206 1.00 60.34 C ATOM 1207 CD LYS A 75 -1.967 -7.104 27.908 1.00 74.03 C ATOM 1208 CE LYS A 75 -1.714 -6.819 29.380 1.00 23.22 C ATOM 1209 NZ LYS A 75 -0.547 -5.915 29.577 1.00 12.32 N ATOM 0 H LYS A 75 -3.886 -6.523 23.565 1.00 0.43 H new ATOM 0 HA LYS A 75 -4.307 -4.680 25.615 1.00 75.05 H new ATOM 0 HB2 LYS A 75 -3.283 -7.090 25.572 1.00 71.23 H new ATOM 0 HB3 LYS A 75 -1.761 -6.278 25.266 1.00 71.23 H new ATOM 0 HG2 LYS A 75 -1.947 -5.029 27.361 1.00 60.34 H new ATOM 0 HG3 LYS A 75 -3.549 -5.677 27.648 1.00 60.34 H new ATOM 0 HD2 LYS A 75 -2.633 -7.962 27.811 1.00 74.03 H new ATOM 0 HD3 LYS A 75 -1.029 -7.372 27.422 1.00 74.03 H new ATOM 0 HE2 LYS A 75 -2.602 -6.366 29.820 1.00 23.22 H new ATOM 0 HE3 LYS A 75 -1.540 -7.757 29.907 1.00 23.22 H new ATOM 0 HZ1 LYS A 75 -0.344 -5.826 30.593 1.00 12.32 H new ATOM 0 HZ2 LYS A 75 0.284 -6.310 29.092 1.00 12.32 H new ATOM 0 HZ3 LYS A 75 -0.764 -4.977 29.184 1.00 12.32 H new ATOM 1223 N GLY A 76 -2.507 -2.917 25.654 1.00 74.10 N ATOM 1224 CA GLY A 76 -1.640 -1.763 25.504 1.00 21.41 C ATOM 1225 C GLY A 76 -2.412 -0.490 25.223 1.00 53.15 C ATOM 1226 O GLY A 76 -1.827 0.587 25.108 1.00 12.34 O ATOM 0 H GLY A 76 -3.063 -2.927 26.509 1.00 74.10 H new ATOM 0 HA2 GLY A 76 -1.052 -1.634 26.412 1.00 21.41 H new ATOM 0 HA3 GLY A 76 -0.936 -1.944 24.691 1.00 21.41 H new ATOM 1230 N PHE A 77 -3.731 -0.612 25.108 1.00 24.43 N ATOM 1231 CA PHE A 77 -4.584 0.538 24.835 1.00 35.23 C ATOM 1232 C PHE A 77 -4.326 1.657 25.839 1.00 11.54 C ATOM 1233 O PHE A 77 -4.217 1.415 27.041 1.00 54.34 O ATOM 1234 CB PHE A 77 -6.058 0.128 24.879 1.00 20.15 C ATOM 1235 CG PHE A 77 -6.538 -0.237 26.255 1.00 24.32 C ATOM 1236 CD1 PHE A 77 -7.047 0.731 27.105 1.00 21.04 C ATOM 1237 CD2 PHE A 77 -6.480 -1.549 26.698 1.00 43.10 C ATOM 1238 CE1 PHE A 77 -7.488 0.398 28.372 1.00 71.40 C ATOM 1239 CE2 PHE A 77 -6.920 -1.888 27.963 1.00 21.45 C ATOM 1240 CZ PHE A 77 -7.426 -0.914 28.801 1.00 3.21 C ATOM 0 H PHE A 77 -4.232 -1.496 25.200 1.00 24.43 H new ATOM 0 HA PHE A 77 -4.346 0.907 23.837 1.00 35.23 H new ATOM 0 HB2 PHE A 77 -6.666 0.947 24.496 1.00 20.15 H new ATOM 0 HB3 PHE A 77 -6.211 -0.721 24.213 1.00 20.15 H new ATOM 0 HD1 PHE A 77 -7.100 1.758 26.774 1.00 21.04 H new ATOM 0 HD2 PHE A 77 -6.086 -2.315 26.047 1.00 43.10 H new ATOM 0 HE1 PHE A 77 -7.881 1.163 29.026 1.00 71.40 H new ATOM 0 HE2 PHE A 77 -6.868 -2.914 28.296 1.00 21.45 H new ATOM 0 HZ PHE A 77 -7.772 -1.177 29.789 1.00 3.21 H new ATOM 1250 N ASN A 78 -4.228 2.884 25.337 1.00 74.03 N ATOM 1251 CA ASN A 78 -3.982 4.042 26.189 1.00 65.33 C ATOM 1252 C ASN A 78 -2.616 3.940 26.862 1.00 52.41 C ATOM 1253 O ASN A 78 -2.360 4.598 27.870 1.00 54.53 O ATOM 1254 CB ASN A 78 -5.078 4.164 27.249 1.00 22.30 C ATOM 1255 CG ASN A 78 -5.812 5.488 27.172 1.00 41.41 C ATOM 1256 OD1 ASN A 78 -6.055 6.136 28.190 1.00 35.02 O ATOM 1257 ND2 ASN A 78 -6.168 5.897 25.960 1.00 55.32 N ATOM 0 H ASN A 78 -4.315 3.102 24.344 1.00 74.03 H new ATOM 0 HA ASN A 78 -3.993 4.933 25.562 1.00 65.33 H new ATOM 0 HB2 ASN A 78 -5.791 3.349 27.126 1.00 22.30 H new ATOM 0 HB3 ASN A 78 -4.636 4.054 28.239 1.00 22.30 H new ATOM 0 HD21 ASN A 78 -6.664 6.781 25.845 1.00 55.32 H new ATOM 0 HD22 ASN A 78 -5.946 5.327 25.144 1.00 55.32 H new ATOM 1264 N GLU A 79 -1.744 3.112 26.297 1.00 63.13 N ATOM 1265 CA GLU A 79 -0.405 2.925 26.843 1.00 63.20 C ATOM 1266 C GLU A 79 0.659 3.285 25.810 1.00 25.42 C ATOM 1267 O GLU A 79 1.502 2.460 25.457 1.00 13.25 O ATOM 1268 CB GLU A 79 -0.215 1.478 27.304 1.00 73.03 C ATOM 1269 CG GLU A 79 0.868 1.311 28.356 1.00 14.24 C ATOM 1270 CD GLU A 79 0.657 2.213 29.558 1.00 62.54 C ATOM 1271 OE1 GLU A 79 -0.219 1.898 30.390 1.00 51.23 O ATOM 1272 OE2 GLU A 79 1.370 3.233 29.665 1.00 32.41 O ATOM 0 H GLU A 79 -1.940 2.560 25.462 1.00 63.13 H new ATOM 0 HA GLU A 79 -0.294 3.589 27.700 1.00 63.20 H new ATOM 0 HB2 GLU A 79 -1.158 1.106 27.704 1.00 73.03 H new ATOM 0 HB3 GLU A 79 0.031 0.860 26.441 1.00 73.03 H new ATOM 0 HG2 GLU A 79 0.892 0.272 28.686 1.00 14.24 H new ATOM 0 HG3 GLU A 79 1.839 1.527 27.910 1.00 14.24 H new ATOM 1279 N GLY A 80 0.614 4.523 25.328 1.00 14.25 N ATOM 1280 CA GLY A 80 1.578 4.971 24.341 1.00 53.14 C ATOM 1281 C GLY A 80 0.932 5.304 23.010 1.00 63.21 C ATOM 1282 O GLY A 80 1.619 5.645 22.046 1.00 24.21 O ATOM 0 H GLY A 80 -0.074 5.224 25.604 1.00 14.25 H new ATOM 0 HA2 GLY A 80 2.099 5.851 24.719 1.00 53.14 H new ATOM 0 HA3 GLY A 80 2.329 4.195 24.193 1.00 53.14 H new ATOM 1286 N LEU A 81 -0.391 5.203 22.955 1.00 51.53 N ATOM 1287 CA LEU A 81 -1.130 5.495 21.731 1.00 31.11 C ATOM 1288 C LEU A 81 -1.064 6.981 21.396 1.00 43.42 C ATOM 1289 O LEU A 81 -0.969 7.361 20.229 1.00 61.34 O ATOM 1290 CB LEU A 81 -2.589 5.058 21.877 1.00 62.14 C ATOM 1291 CG LEU A 81 -3.517 5.420 20.716 1.00 22.15 C ATOM 1292 CD1 LEU A 81 -3.634 4.257 19.744 1.00 35.41 C ATOM 1293 CD2 LEU A 81 -4.889 5.823 21.237 1.00 43.42 C ATOM 0 H LEU A 81 -0.974 4.921 23.743 1.00 51.53 H new ATOM 0 HA LEU A 81 -0.669 4.937 20.916 1.00 31.11 H new ATOM 0 HB2 LEU A 81 -2.612 3.976 22.011 1.00 62.14 H new ATOM 0 HB3 LEU A 81 -2.991 5.500 22.789 1.00 62.14 H new ATOM 0 HG LEU A 81 -3.088 6.269 20.184 1.00 22.15 H new ATOM 0 HD11 LEU A 81 -4.298 4.533 18.925 1.00 35.41 H new ATOM 0 HD12 LEU A 81 -2.648 4.015 19.346 1.00 35.41 H new ATOM 0 HD13 LEU A 81 -4.040 3.388 20.263 1.00 35.41 H new ATOM 0 HD21 LEU A 81 -5.537 6.077 20.398 1.00 43.42 H new ATOM 0 HD22 LEU A 81 -5.325 4.993 21.793 1.00 43.42 H new ATOM 0 HD23 LEU A 81 -4.789 6.687 21.893 1.00 43.42 H new ATOM 1305 N TRP A 82 -1.112 7.817 22.426 1.00 1.55 N ATOM 1306 CA TRP A 82 -1.055 9.263 22.241 1.00 1.10 C ATOM 1307 C TRP A 82 0.379 9.726 22.011 1.00 3.30 C ATOM 1308 O TRP A 82 0.614 10.847 21.561 1.00 14.43 O ATOM 1309 CB TRP A 82 -1.646 9.978 23.457 1.00 21.45 C ATOM 1310 CG TRP A 82 -1.380 11.453 23.467 1.00 31.40 C ATOM 1311 CD1 TRP A 82 -2.150 12.428 22.900 1.00 20.22 C ATOM 1312 CD2 TRP A 82 -0.266 12.119 24.071 1.00 31.34 C ATOM 1313 NE1 TRP A 82 -1.582 13.660 23.116 1.00 43.22 N ATOM 1314 CE2 TRP A 82 -0.426 13.498 23.833 1.00 62.23 C ATOM 1315 CE3 TRP A 82 0.849 11.685 24.793 1.00 63.12 C ATOM 1316 CZ2 TRP A 82 0.489 14.443 24.289 1.00 63.20 C ATOM 1317 CZ3 TRP A 82 1.757 12.624 25.245 1.00 52.03 C ATOM 1318 CH2 TRP A 82 1.572 13.990 24.992 1.00 22.04 C ATOM 0 H TRP A 82 -1.190 7.519 23.398 1.00 1.55 H new ATOM 0 HA TRP A 82 -1.644 9.515 21.359 1.00 1.10 H new ATOM 0 HB2 TRP A 82 -2.723 9.810 23.480 1.00 21.45 H new ATOM 0 HB3 TRP A 82 -1.235 9.536 24.365 1.00 21.45 H new ATOM 0 HD1 TRP A 82 -3.070 12.256 22.361 1.00 20.22 H new ATOM 0 HE1 TRP A 82 -1.960 14.551 22.795 1.00 43.22 H new ATOM 0 HE3 TRP A 82 0.999 10.635 24.994 1.00 63.12 H new ATOM 0 HZ2 TRP A 82 0.349 15.496 24.095 1.00 63.20 H new ATOM 0 HZ3 TRP A 82 2.623 12.300 25.802 1.00 52.03 H new ATOM 0 HH2 TRP A 82 2.299 14.699 25.359 1.00 22.04 H new ATOM 1329 N GLU A 83 1.335 8.856 22.322 1.00 10.12 N ATOM 1330 CA GLU A 83 2.747 9.178 22.149 1.00 15.41 C ATOM 1331 C GLU A 83 3.184 8.947 20.706 1.00 65.42 C ATOM 1332 O GLU A 83 4.192 9.494 20.256 1.00 13.23 O ATOM 1333 CB GLU A 83 3.605 8.336 23.095 1.00 14.25 C ATOM 1334 CG GLU A 83 3.612 8.846 24.527 1.00 52.12 C ATOM 1335 CD GLU A 83 4.164 7.828 25.506 1.00 41.41 C ATOM 1336 OE1 GLU A 83 4.284 6.645 25.126 1.00 60.23 O ATOM 1337 OE2 GLU A 83 4.476 8.215 26.651 1.00 21.14 O ATOM 0 H GLU A 83 1.158 7.923 22.695 1.00 10.12 H new ATOM 0 HA GLU A 83 2.885 10.233 22.388 1.00 15.41 H new ATOM 0 HB2 GLU A 83 3.240 7.309 23.086 1.00 14.25 H new ATOM 0 HB3 GLU A 83 4.629 8.314 22.721 1.00 14.25 H new ATOM 0 HG2 GLU A 83 4.208 9.757 24.581 1.00 52.12 H new ATOM 0 HG3 GLU A 83 2.596 9.112 24.819 1.00 52.12 H new ATOM 1344 N ILE A 84 2.421 8.132 19.986 1.00 61.52 N ATOM 1345 CA ILE A 84 2.730 7.828 18.594 1.00 34.40 C ATOM 1346 C ILE A 84 2.821 9.101 17.760 1.00 3.25 C ATOM 1347 O ILE A 84 3.547 9.155 16.768 1.00 62.44 O ATOM 1348 CB ILE A 84 1.672 6.896 17.973 1.00 14.33 C ATOM 1349 CG1 ILE A 84 2.191 6.300 16.663 1.00 12.32 C ATOM 1350 CG2 ILE A 84 0.372 7.652 17.739 1.00 3.44 C ATOM 1351 CD1 ILE A 84 1.182 5.422 15.957 1.00 14.11 C ATOM 0 H ILE A 84 1.585 7.670 20.343 1.00 61.52 H new ATOM 0 HA ILE A 84 3.696 7.323 18.589 1.00 34.40 H new ATOM 0 HB ILE A 84 1.475 6.080 18.668 1.00 14.33 H new ATOM 0 HG12 ILE A 84 2.485 7.110 15.996 1.00 12.32 H new ATOM 0 HG13 ILE A 84 3.088 5.716 16.869 1.00 12.32 H new ATOM 0 HG21 ILE A 84 -0.366 6.980 17.300 1.00 3.44 H new ATOM 0 HG22 ILE A 84 -0.004 8.032 18.689 1.00 3.44 H new ATOM 0 HG23 ILE A 84 0.553 8.486 17.060 1.00 3.44 H new ATOM 0 HD11 ILE A 84 1.618 5.034 15.036 1.00 14.11 H new ATOM 0 HD12 ILE A 84 0.906 4.591 16.606 1.00 14.11 H new ATOM 0 HD13 ILE A 84 0.294 6.007 15.719 1.00 14.11 H new ATOM 1363 N ASP A 85 2.082 10.125 18.172 1.00 50.31 N ATOM 1364 CA ASP A 85 2.082 11.401 17.465 1.00 34.20 C ATOM 1365 C ASP A 85 2.662 12.507 18.340 1.00 1.33 C ATOM 1366 O ASP A 85 2.640 13.680 17.971 1.00 55.43 O ATOM 1367 CB ASP A 85 0.661 11.768 17.032 1.00 3.03 C ATOM 1368 CG ASP A 85 0.636 12.558 15.738 1.00 22.43 C ATOM 1369 OD1 ASP A 85 1.276 12.115 14.761 1.00 55.54 O ATOM 1370 OD2 ASP A 85 -0.023 13.617 15.703 1.00 14.11 O ATOM 0 H ASP A 85 1.475 10.097 18.992 1.00 50.31 H new ATOM 0 HA ASP A 85 2.708 11.298 16.579 1.00 34.20 H new ATOM 0 HB2 ASP A 85 0.075 10.857 16.910 1.00 3.03 H new ATOM 0 HB3 ASP A 85 0.183 12.351 17.820 1.00 3.03 H new ATOM 1375 N ASN A 86 3.181 12.125 19.503 1.00 75.33 N ATOM 1376 CA ASN A 86 3.766 13.085 20.432 1.00 75.23 C ATOM 1377 C ASN A 86 5.183 12.674 20.818 1.00 61.32 C ATOM 1378 O ASN A 86 6.154 13.331 20.445 1.00 71.22 O ATOM 1379 CB ASN A 86 2.898 13.206 21.686 1.00 20.32 C ATOM 1380 CG ASN A 86 1.686 14.091 21.468 1.00 61.10 C ATOM 1381 OD1 ASN A 86 1.704 15.278 21.794 1.00 33.24 O ATOM 1382 ND2 ASN A 86 0.626 13.515 20.914 1.00 55.44 N ATOM 0 H ASN A 86 3.208 11.157 19.824 1.00 75.33 H new ATOM 0 HA ASN A 86 3.811 14.054 19.935 1.00 75.23 H new ATOM 0 HB2 ASN A 86 2.569 12.213 21.994 1.00 20.32 H new ATOM 0 HB3 ASN A 86 3.497 13.610 22.502 1.00 20.32 H new ATOM 0 HD21 ASN A 86 -0.219 14.060 20.742 1.00 55.44 H new ATOM 0 HD22 ASN A 86 0.657 12.528 20.660 1.00 55.44 H new ATOM 1389 N ASN A 87 5.293 11.582 21.567 1.00 23.42 N ATOM 1390 CA ASN A 87 6.592 11.082 22.004 1.00 1.30 C ATOM 1391 C ASN A 87 6.919 9.753 21.330 1.00 51.32 C ATOM 1392 O ASN A 87 6.808 8.682 21.927 1.00 51.23 O ATOM 1393 CB ASN A 87 6.612 10.914 23.525 1.00 51.03 C ATOM 1394 CG ASN A 87 8.020 10.900 24.087 1.00 44.44 C ATOM 1395 OD1 ASN A 87 8.428 11.823 24.793 1.00 51.05 O ATOM 1396 ND2 ASN A 87 8.772 9.851 23.775 1.00 75.34 N ATOM 0 H ASN A 87 4.499 11.026 21.884 1.00 23.42 H new ATOM 0 HA ASN A 87 7.349 11.811 21.716 1.00 1.30 H new ATOM 0 HB2 ASN A 87 6.048 11.726 23.985 1.00 51.03 H new ATOM 0 HB3 ASN A 87 6.108 9.985 23.792 1.00 51.03 H new ATOM 0 HD21 ASN A 87 9.728 9.787 24.124 1.00 75.34 H new ATOM 0 HD22 ASN A 87 8.393 9.109 23.187 1.00 75.34 H new ATOM 1403 N PRO A 88 7.332 9.822 20.056 1.00 42.13 N ATOM 1404 CA PRO A 88 7.685 8.634 19.273 1.00 51.04 C ATOM 1405 C PRO A 88 8.974 7.981 19.759 1.00 44.35 C ATOM 1406 O PRO A 88 9.339 6.893 19.311 1.00 12.55 O ATOM 1407 CB PRO A 88 7.865 9.184 17.855 1.00 31.15 C ATOM 1408 CG PRO A 88 8.222 10.617 18.048 1.00 52.42 C ATOM 1409 CD PRO A 88 7.488 11.065 19.282 1.00 72.05 C ATOM 0 HA PRO A 88 6.926 7.855 19.350 1.00 51.04 H new ATOM 0 HB2 PRO A 88 8.649 8.649 17.319 1.00 31.15 H new ATOM 0 HB3 PRO A 88 6.951 9.079 17.270 1.00 31.15 H new ATOM 0 HG2 PRO A 88 9.298 10.738 18.169 1.00 52.42 H new ATOM 0 HG3 PRO A 88 7.930 11.212 17.183 1.00 52.42 H new ATOM 0 HD2 PRO A 88 8.053 11.815 19.836 1.00 72.05 H new ATOM 0 HD3 PRO A 88 6.523 11.509 19.037 1.00 72.05 H new ATOM 1417 N LYS A 89 9.662 8.652 20.677 1.00 71.31 N ATOM 1418 CA LYS A 89 10.911 8.137 21.226 1.00 74.42 C ATOM 1419 C LYS A 89 10.727 7.693 22.674 1.00 52.53 C ATOM 1420 O LYS A 89 11.639 7.816 23.491 1.00 31.45 O ATOM 1421 CB LYS A 89 12.006 9.202 21.143 1.00 41.14 C ATOM 1422 CG LYS A 89 11.753 10.405 22.034 1.00 1.42 C ATOM 1423 CD LYS A 89 12.845 11.452 21.882 1.00 75.42 C ATOM 1424 CE LYS A 89 12.994 12.289 23.143 1.00 55.34 C ATOM 1425 NZ LYS A 89 14.229 13.120 23.114 1.00 64.40 N ATOM 0 H LYS A 89 9.375 9.554 21.057 1.00 71.31 H new ATOM 0 HA LYS A 89 11.209 7.271 20.634 1.00 74.42 H new ATOM 0 HB2 LYS A 89 12.960 8.752 21.417 1.00 41.14 H new ATOM 0 HB3 LYS A 89 12.097 9.538 20.110 1.00 41.14 H new ATOM 0 HG2 LYS A 89 10.788 10.846 21.786 1.00 1.42 H new ATOM 0 HG3 LYS A 89 11.698 10.083 23.074 1.00 1.42 H new ATOM 0 HD2 LYS A 89 13.792 10.962 21.656 1.00 75.42 H new ATOM 0 HD3 LYS A 89 12.613 12.102 21.038 1.00 75.42 H new ATOM 0 HE2 LYS A 89 12.124 12.936 23.255 1.00 55.34 H new ATOM 0 HE3 LYS A 89 13.018 11.633 24.013 1.00 55.34 H new ATOM 0 HZ1 LYS A 89 14.294 13.676 23.991 1.00 64.40 H new ATOM 0 HZ2 LYS A 89 15.061 12.502 23.033 1.00 64.40 H new ATOM 0 HZ3 LYS A 89 14.195 13.764 22.298 1.00 64.40 H new ATOM 1439 N VAL A 90 9.542 7.177 22.984 1.00 52.10 N ATOM 1440 CA VAL A 90 9.239 6.713 24.333 1.00 44.23 C ATOM 1441 C VAL A 90 9.923 5.381 24.622 1.00 53.32 C ATOM 1442 O VAL A 90 10.085 4.992 25.779 1.00 43.25 O ATOM 1443 CB VAL A 90 7.722 6.556 24.545 1.00 0.12 C ATOM 1444 CG1 VAL A 90 7.172 5.444 23.665 1.00 12.12 C ATOM 1445 CG2 VAL A 90 7.415 6.289 26.011 1.00 74.21 C ATOM 0 H VAL A 90 8.776 7.070 22.319 1.00 52.10 H new ATOM 0 HA VAL A 90 9.617 7.469 25.021 1.00 44.23 H new ATOM 0 HB VAL A 90 7.234 7.487 24.259 1.00 0.12 H new ATOM 0 HG11 VAL A 90 6.099 5.348 23.829 1.00 12.12 H new ATOM 0 HG12 VAL A 90 7.360 5.682 22.618 1.00 12.12 H new ATOM 0 HG13 VAL A 90 7.663 4.504 23.917 1.00 12.12 H new ATOM 0 HG21 VAL A 90 6.339 6.181 26.143 1.00 74.21 H new ATOM 0 HG22 VAL A 90 7.914 5.372 26.326 1.00 74.21 H new ATOM 0 HG23 VAL A 90 7.773 7.123 26.615 1.00 74.21 H new