USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 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 14 LYS NZ :NH3+ -117:sc= -1.11 (180deg=-3.76!) USER MOD Set 1.2: A 20 HIS : no HD1:sc= -1.97 K(o=-3.1,f=-4.6) USER MOD Single : A 2 THR OG1 : rot -23:sc= 0.237 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) 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 38 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.872 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -97:sc= 1.09 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.02 X(o=-1,f=-0.58) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0505 (180deg=-0.293) USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -0.66 (180deg=-0.954) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0238 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.042) USER MOD Single : A 86 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.6) USER MOD Single : A 87 ASN : amide:sc= -0.0953 K(o=-0.095,f=-3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.065 -1.179 -2.435 1.00 22.32 N ATOM 19 CA THR A 2 5.406 -1.751 -2.453 1.00 52.43 C ATOM 20 C THR A 2 6.441 -0.739 -1.977 1.00 45.50 C ATOM 21 O THR A 2 7.507 -1.111 -1.486 1.00 62.11 O ATOM 22 CB THR A 2 5.790 -2.236 -3.864 1.00 21.23 C ATOM 23 OG1 THR A 2 5.445 -1.242 -4.835 1.00 22.20 O ATOM 24 CG2 THR A 2 5.086 -3.543 -4.196 1.00 64.34 C ATOM 0 HA THR A 2 5.396 -2.603 -1.774 1.00 52.43 H new ATOM 0 HB THR A 2 6.867 -2.405 -3.886 1.00 21.23 H new ATOM 0 HG1 THR A 2 4.737 -0.667 -4.477 1.00 22.20 H new ATOM 0 HG21 THR A 2 5.372 -3.866 -5.197 1.00 64.34 H new ATOM 0 HG22 THR A 2 5.374 -4.305 -3.472 1.00 64.34 H new ATOM 0 HG23 THR A 2 4.007 -3.395 -4.157 1.00 64.34 H new ATOM 32 N ARG A 3 6.121 0.543 -2.125 1.00 22.14 N ATOM 33 CA ARG A 3 7.025 1.609 -1.709 1.00 71.15 C ATOM 34 C ARG A 3 7.474 1.409 -0.265 1.00 11.42 C ATOM 35 O ARG A 3 6.675 1.049 0.600 1.00 61.53 O ATOM 36 CB ARG A 3 6.345 2.971 -1.860 1.00 35.21 C ATOM 37 CG ARG A 3 6.003 3.326 -3.298 1.00 24.31 C ATOM 38 CD ARG A 3 6.045 4.829 -3.526 1.00 22.34 C ATOM 39 NE ARG A 3 5.513 5.199 -4.834 1.00 71.02 N ATOM 40 CZ ARG A 3 5.502 6.444 -5.298 1.00 33.15 C ATOM 41 NH1 ARG A 3 5.992 7.433 -4.563 1.00 34.33 N ATOM 42 NH2 ARG A 3 5.000 6.702 -6.499 1.00 20.54 N ATOM 0 H ARG A 3 5.243 0.868 -2.530 1.00 22.14 H new ATOM 0 HA ARG A 3 7.905 1.577 -2.352 1.00 71.15 H new ATOM 0 HB2 ARG A 3 5.431 2.979 -1.266 1.00 35.21 H new ATOM 0 HB3 ARG A 3 6.999 3.741 -1.450 1.00 35.21 H new ATOM 0 HG2 ARG A 3 6.705 2.835 -3.972 1.00 24.31 H new ATOM 0 HG3 ARG A 3 5.010 2.948 -3.541 1.00 24.31 H new ATOM 0 HD2 ARG A 3 5.471 5.330 -2.746 1.00 22.34 H new ATOM 0 HD3 ARG A 3 7.073 5.180 -3.440 1.00 22.34 H new ATOM 0 HE ARG A 3 5.129 4.461 -5.424 1.00 71.02 H new ATOM 0 HH11 ARG A 3 6.378 7.239 -3.639 1.00 34.33 H new ATOM 0 HH12 ARG A 3 5.982 8.388 -4.921 1.00 34.33 H new ATOM 0 HH21 ARG A 3 4.622 5.944 -7.067 1.00 20.54 H new ATOM 0 HH22 ARG A 3 4.992 7.658 -6.854 1.00 20.54 H new ATOM 56 N ASP A 4 8.756 1.646 -0.011 1.00 62.04 N ATOM 57 CA ASP A 4 9.312 1.493 1.328 1.00 33.13 C ATOM 58 C ASP A 4 8.970 2.698 2.199 1.00 5.10 C ATOM 59 O ASP A 4 8.488 3.717 1.705 1.00 52.30 O ATOM 60 CB ASP A 4 10.829 1.313 1.257 1.00 71.11 C ATOM 61 CG ASP A 4 11.374 0.526 2.432 1.00 5.24 C ATOM 62 OD1 ASP A 4 10.563 0.009 3.229 1.00 11.50 O ATOM 63 OD2 ASP A 4 12.613 0.426 2.555 1.00 10.44 O ATOM 0 H ASP A 4 9.430 1.945 -0.716 1.00 62.04 H new ATOM 0 HA ASP A 4 8.870 0.604 1.779 1.00 33.13 H new ATOM 0 HB2 ASP A 4 11.088 0.802 0.330 1.00 71.11 H new ATOM 0 HB3 ASP A 4 11.307 2.292 1.226 1.00 71.11 H new ATOM 68 N PHE A 5 9.223 2.574 3.498 1.00 65.03 N ATOM 69 CA PHE A 5 8.941 3.652 4.438 1.00 2.20 C ATOM 70 C PHE A 5 10.233 4.221 5.018 1.00 62.35 C ATOM 71 O PHE A 5 11.324 3.718 4.746 1.00 74.34 O ATOM 72 CB PHE A 5 8.040 3.149 5.568 1.00 41.42 C ATOM 73 CG PHE A 5 6.576 3.213 5.240 1.00 13.42 C ATOM 74 CD1 PHE A 5 5.860 4.384 5.433 1.00 52.03 C ATOM 75 CD2 PHE A 5 5.915 2.103 4.739 1.00 1.33 C ATOM 76 CE1 PHE A 5 4.512 4.445 5.133 1.00 41.32 C ATOM 77 CE2 PHE A 5 4.567 2.159 4.437 1.00 24.31 C ATOM 78 CZ PHE A 5 3.865 3.332 4.633 1.00 24.32 C ATOM 0 H PHE A 5 9.623 1.738 3.923 1.00 65.03 H new ATOM 0 HA PHE A 5 8.426 4.446 3.897 1.00 2.20 H new ATOM 0 HB2 PHE A 5 8.307 2.119 5.804 1.00 41.42 H new ATOM 0 HB3 PHE A 5 8.230 3.740 6.464 1.00 41.42 H new ATOM 0 HD1 PHE A 5 6.361 5.258 5.822 1.00 52.03 H new ATOM 0 HD2 PHE A 5 6.459 1.183 4.583 1.00 1.33 H new ATOM 0 HE1 PHE A 5 3.965 5.363 5.290 1.00 41.32 H new ATOM 0 HE2 PHE A 5 4.063 1.286 4.048 1.00 24.31 H new ATOM 0 HZ PHE A 5 2.812 3.379 4.396 1.00 24.32 H new ATOM 88 N LYS A 6 10.103 5.273 5.818 1.00 53.31 N ATOM 89 CA LYS A 6 11.258 5.912 6.438 1.00 71.34 C ATOM 90 C LYS A 6 11.296 5.631 7.936 1.00 31.33 C ATOM 91 O LYS A 6 10.292 5.269 8.550 1.00 32.11 O ATOM 92 CB LYS A 6 11.225 7.422 6.192 1.00 73.22 C ATOM 93 CG LYS A 6 11.953 7.849 4.929 1.00 21.31 C ATOM 94 CD LYS A 6 11.053 7.758 3.708 1.00 12.44 C ATOM 95 CE LYS A 6 11.849 7.878 2.418 1.00 4.43 C ATOM 96 NZ LYS A 6 11.183 7.175 1.287 1.00 12.34 N ATOM 0 H LYS A 6 9.208 5.702 6.053 1.00 53.31 H new ATOM 0 HA LYS A 6 12.158 5.496 5.985 1.00 71.34 H new ATOM 0 HB2 LYS A 6 10.187 7.749 6.131 1.00 73.22 H new ATOM 0 HB3 LYS A 6 11.670 7.931 7.047 1.00 73.22 H new ATOM 0 HG2 LYS A 6 12.311 8.872 5.043 1.00 21.31 H new ATOM 0 HG3 LYS A 6 12.830 7.219 4.783 1.00 21.31 H new ATOM 0 HD2 LYS A 6 10.518 6.809 3.719 1.00 12.44 H new ATOM 0 HD3 LYS A 6 10.303 8.547 3.748 1.00 12.44 H new ATOM 0 HE2 LYS A 6 11.976 8.931 2.167 1.00 4.43 H new ATOM 0 HE3 LYS A 6 12.846 7.463 2.567 1.00 4.43 H new ATOM 0 HZ1 LYS A 6 11.757 7.281 0.426 1.00 12.34 H new ATOM 0 HZ2 LYS A 6 11.084 6.165 1.516 1.00 12.34 H new ATOM 0 HZ3 LYS A 6 10.242 7.587 1.128 1.00 12.34 H new ATOM 110 N PRO A 7 12.481 5.802 8.542 1.00 74.45 N ATOM 111 CA PRO A 7 12.677 5.574 9.976 1.00 31.32 C ATOM 112 C PRO A 7 11.978 6.625 10.831 1.00 11.22 C ATOM 113 O PRO A 7 12.262 7.817 10.722 1.00 2.11 O ATOM 114 CB PRO A 7 14.195 5.669 10.146 1.00 1.32 C ATOM 115 CG PRO A 7 14.650 6.527 9.016 1.00 15.00 C ATOM 116 CD PRO A 7 13.720 6.231 7.872 1.00 53.22 C ATOM 0 HA PRO A 7 12.257 4.621 10.298 1.00 31.32 H new ATOM 0 HB2 PRO A 7 14.459 6.109 11.108 1.00 1.32 H new ATOM 0 HB3 PRO A 7 14.660 4.684 10.107 1.00 1.32 H new ATOM 0 HG2 PRO A 7 14.612 7.582 9.287 1.00 15.00 H new ATOM 0 HG3 PRO A 7 15.683 6.304 8.748 1.00 15.00 H new ATOM 0 HD2 PRO A 7 13.556 7.111 7.249 1.00 53.22 H new ATOM 0 HD3 PRO A 7 14.117 5.450 7.223 1.00 53.22 H new ATOM 124 N GLY A 8 11.062 6.175 11.683 1.00 14.22 N ATOM 125 CA GLY A 8 10.337 7.091 12.545 1.00 74.32 C ATOM 126 C GLY A 8 8.926 7.352 12.057 1.00 75.34 C ATOM 127 O GLY A 8 8.154 8.052 12.712 1.00 2.33 O ATOM 0 H GLY A 8 10.809 5.193 11.792 1.00 14.22 H new ATOM 0 HA2 GLY A 8 10.299 6.682 13.555 1.00 74.32 H new ATOM 0 HA3 GLY A 8 10.878 8.035 12.604 1.00 74.32 H new ATOM 131 N ASP A 9 8.587 6.789 10.902 1.00 62.12 N ATOM 132 CA ASP A 9 7.259 6.965 10.326 1.00 62.25 C ATOM 133 C ASP A 9 6.219 6.165 11.103 1.00 30.41 C ATOM 134 O ASP A 9 6.429 4.992 11.416 1.00 73.34 O ATOM 135 CB ASP A 9 7.256 6.537 8.857 1.00 5.30 C ATOM 136 CG ASP A 9 7.435 7.710 7.912 1.00 32.54 C ATOM 137 OD1 ASP A 9 8.241 8.609 8.229 1.00 62.31 O ATOM 138 OD2 ASP A 9 6.767 7.728 6.857 1.00 42.32 O ATOM 0 H ASP A 9 9.214 6.207 10.346 1.00 62.12 H new ATOM 0 HA ASP A 9 7.000 8.022 10.389 1.00 62.25 H new ATOM 0 HB2 ASP A 9 8.055 5.815 8.690 1.00 5.30 H new ATOM 0 HB3 ASP A 9 6.317 6.032 8.631 1.00 5.30 H new ATOM 143 N LEU A 10 5.098 6.806 11.414 1.00 72.14 N ATOM 144 CA LEU A 10 4.024 6.154 12.156 1.00 3.51 C ATOM 145 C LEU A 10 3.119 5.360 11.220 1.00 21.11 C ATOM 146 O LEU A 10 2.351 5.934 10.448 1.00 12.52 O ATOM 147 CB LEU A 10 3.201 7.194 12.919 1.00 44.10 C ATOM 148 CG LEU A 10 3.991 8.335 13.561 1.00 11.23 C ATOM 149 CD1 LEU A 10 3.107 9.126 14.513 1.00 22.15 C ATOM 150 CD2 LEU A 10 5.213 7.794 14.290 1.00 53.53 C ATOM 0 H LEU A 10 4.909 7.777 11.164 1.00 72.14 H new ATOM 0 HA LEU A 10 4.475 5.463 12.868 1.00 3.51 H new ATOM 0 HB2 LEU A 10 2.471 7.625 12.233 1.00 44.10 H new ATOM 0 HB3 LEU A 10 2.640 6.682 13.701 1.00 44.10 H new ATOM 0 HG LEU A 10 4.331 9.005 12.772 1.00 11.23 H new ATOM 0 HD11 LEU A 10 3.686 9.934 14.961 1.00 22.15 H new ATOM 0 HD12 LEU A 10 2.264 9.545 13.963 1.00 22.15 H new ATOM 0 HD13 LEU A 10 2.737 8.467 15.298 1.00 22.15 H new ATOM 0 HD21 LEU A 10 5.763 8.620 14.741 1.00 53.53 H new ATOM 0 HD22 LEU A 10 4.895 7.102 15.070 1.00 53.53 H new ATOM 0 HD23 LEU A 10 5.857 7.272 13.582 1.00 53.53 H new ATOM 162 N ILE A 11 3.214 4.037 11.296 1.00 60.22 N ATOM 163 CA ILE A 11 2.401 3.164 10.458 1.00 63.12 C ATOM 164 C ILE A 11 1.814 2.014 11.269 1.00 62.21 C ATOM 165 O ILE A 11 2.459 1.486 12.175 1.00 3.43 O ATOM 166 CB ILE A 11 3.219 2.587 9.287 1.00 32.20 C ATOM 167 CG1 ILE A 11 4.472 1.882 9.810 1.00 20.11 C ATOM 168 CG2 ILE A 11 3.594 3.690 8.309 1.00 61.34 C ATOM 169 CD1 ILE A 11 4.244 0.430 10.168 1.00 12.10 C ATOM 0 H ILE A 11 3.846 3.546 11.929 1.00 60.22 H new ATOM 0 HA ILE A 11 1.591 3.774 10.059 1.00 63.12 H new ATOM 0 HB ILE A 11 2.606 1.855 8.761 1.00 32.20 H new ATOM 0 HG12 ILE A 11 5.255 1.943 9.054 1.00 20.11 H new ATOM 0 HG13 ILE A 11 4.836 2.412 10.690 1.00 20.11 H new ATOM 0 HG21 ILE A 11 4.172 3.267 7.487 1.00 61.34 H new ATOM 0 HG22 ILE A 11 2.688 4.151 7.916 1.00 61.34 H new ATOM 0 HG23 ILE A 11 4.191 4.444 8.822 1.00 61.34 H new ATOM 0 HD11 ILE A 11 5.175 -0.006 10.531 1.00 12.10 H new ATOM 0 HD12 ILE A 11 3.484 0.362 10.946 1.00 12.10 H new ATOM 0 HD13 ILE A 11 3.909 -0.114 9.285 1.00 12.10 H new ATOM 181 N PHE A 12 0.587 1.628 10.936 1.00 52.31 N ATOM 182 CA PHE A 12 -0.088 0.539 11.633 1.00 41.44 C ATOM 183 C PHE A 12 0.415 -0.815 11.142 1.00 44.12 C ATOM 184 O PHE A 12 0.201 -1.188 9.989 1.00 60.00 O ATOM 185 CB PHE A 12 -1.602 0.637 11.431 1.00 5.22 C ATOM 186 CG PHE A 12 -2.299 1.426 12.503 1.00 72.54 C ATOM 187 CD1 PHE A 12 -1.886 2.711 12.815 1.00 34.33 C ATOM 188 CD2 PHE A 12 -3.368 0.882 13.196 1.00 30.35 C ATOM 189 CE1 PHE A 12 -2.526 3.438 13.801 1.00 31.22 C ATOM 190 CE2 PHE A 12 -4.012 1.604 14.183 1.00 10.42 C ATOM 191 CZ PHE A 12 -3.591 2.885 14.485 1.00 20.52 C ATOM 0 H PHE A 12 0.039 2.053 10.188 1.00 52.31 H new ATOM 0 HA PHE A 12 0.136 0.627 12.696 1.00 41.44 H new ATOM 0 HB2 PHE A 12 -1.803 1.097 10.463 1.00 5.22 H new ATOM 0 HB3 PHE A 12 -2.022 -0.368 11.399 1.00 5.22 H new ATOM 0 HD1 PHE A 12 -1.055 3.149 12.282 1.00 34.33 H new ATOM 0 HD2 PHE A 12 -3.702 -0.118 12.962 1.00 30.35 H new ATOM 0 HE1 PHE A 12 -2.193 4.438 14.037 1.00 31.22 H new ATOM 0 HE2 PHE A 12 -4.843 1.168 14.717 1.00 10.42 H new ATOM 0 HZ PHE A 12 -4.094 3.453 15.254 1.00 20.52 H new ATOM 201 N ALA A 13 1.086 -1.546 12.026 1.00 44.10 N ATOM 202 CA ALA A 13 1.619 -2.859 11.684 1.00 3.23 C ATOM 203 C ALA A 13 0.530 -3.925 11.740 1.00 3.23 C ATOM 204 O ALA A 13 -0.212 -4.019 12.718 1.00 4.14 O ATOM 205 CB ALA A 13 2.765 -3.222 12.617 1.00 31.52 C ATOM 0 H ALA A 13 1.273 -1.251 12.984 1.00 44.10 H new ATOM 0 HA ALA A 13 1.996 -2.816 10.662 1.00 3.23 H new ATOM 0 HB1 ALA A 13 3.154 -4.205 12.351 1.00 31.52 H new ATOM 0 HB2 ALA A 13 3.559 -2.481 12.524 1.00 31.52 H new ATOM 0 HB3 ALA A 13 2.405 -3.241 13.646 1.00 31.52 H new ATOM 211 N LYS A 14 0.439 -4.726 10.685 1.00 73.44 N ATOM 212 CA LYS A 14 -0.559 -5.787 10.613 1.00 54.12 C ATOM 213 C LYS A 14 0.105 -7.160 10.615 1.00 33.14 C ATOM 214 O LYS A 14 0.687 -7.580 9.616 1.00 73.12 O ATOM 215 CB LYS A 14 -1.416 -5.625 9.355 1.00 63.22 C ATOM 216 CG LYS A 14 -2.459 -6.716 9.185 1.00 64.24 C ATOM 217 CD LYS A 14 -3.637 -6.512 10.122 1.00 71.22 C ATOM 218 CE LYS A 14 -4.827 -7.367 9.715 1.00 33.50 C ATOM 219 NZ LYS A 14 -6.068 -6.969 10.435 1.00 34.11 N ATOM 0 H LYS A 14 1.045 -4.661 9.867 1.00 73.44 H new ATOM 0 HA LYS A 14 -1.198 -5.711 11.493 1.00 54.12 H new ATOM 0 HB2 LYS A 14 -1.917 -4.657 9.389 1.00 63.22 H new ATOM 0 HB3 LYS A 14 -0.765 -5.617 8.481 1.00 63.22 H new ATOM 0 HG2 LYS A 14 -2.811 -6.726 8.153 1.00 64.24 H new ATOM 0 HG3 LYS A 14 -2.005 -7.688 9.377 1.00 64.24 H new ATOM 0 HD2 LYS A 14 -3.340 -6.761 11.141 1.00 71.22 H new ATOM 0 HD3 LYS A 14 -3.926 -5.461 10.122 1.00 71.22 H new ATOM 0 HE2 LYS A 14 -4.987 -7.279 8.640 1.00 33.50 H new ATOM 0 HE3 LYS A 14 -4.608 -8.415 9.920 1.00 33.50 H new ATOM 0 HZ1 LYS A 14 -6.395 -7.760 11.026 1.00 34.11 H new ATOM 0 HZ2 LYS A 14 -5.871 -6.145 11.038 1.00 34.11 H new ATOM 0 HZ3 LYS A 14 -6.806 -6.724 9.745 1.00 34.11 H new ATOM 233 N MET A 15 0.012 -7.855 11.744 1.00 20.05 N ATOM 234 CA MET A 15 0.602 -9.182 11.875 1.00 31.31 C ATOM 235 C MET A 15 -0.367 -10.258 11.393 1.00 44.51 C ATOM 236 O MET A 15 -1.563 -10.204 11.680 1.00 62.23 O ATOM 237 CB MET A 15 0.995 -9.448 13.330 1.00 73.45 C ATOM 238 CG MET A 15 2.440 -9.096 13.643 1.00 72.10 C ATOM 239 SD MET A 15 3.608 -10.298 12.977 1.00 13.31 S ATOM 240 CE MET A 15 3.961 -11.272 14.438 1.00 4.41 C ATOM 0 H MET A 15 -0.466 -7.521 12.581 1.00 20.05 H new ATOM 0 HA MET A 15 1.496 -9.218 11.252 1.00 31.31 H new ATOM 0 HB2 MET A 15 0.340 -8.874 13.985 1.00 73.45 H new ATOM 0 HB3 MET A 15 0.829 -10.501 13.556 1.00 73.45 H new ATOM 0 HG2 MET A 15 2.666 -8.111 13.235 1.00 72.10 H new ATOM 0 HG3 MET A 15 2.568 -9.031 14.723 1.00 72.10 H new ATOM 0 HE1 MET A 15 4.671 -12.060 14.187 1.00 4.41 H new ATOM 0 HE2 MET A 15 4.388 -10.630 15.209 1.00 4.41 H new ATOM 0 HE3 MET A 15 3.039 -11.720 14.808 1.00 4.41 H new ATOM 250 N LYS A 16 0.157 -11.233 10.658 1.00 22.15 N ATOM 251 CA LYS A 16 -0.660 -12.322 10.137 1.00 51.03 C ATOM 252 C LYS A 16 -1.448 -12.995 11.256 1.00 73.12 C ATOM 253 O LYS A 16 -0.873 -13.626 12.141 1.00 5.01 O ATOM 254 CB LYS A 16 0.220 -13.353 9.427 1.00 23.10 C ATOM 255 CG LYS A 16 -0.545 -14.249 8.469 1.00 63.44 C ATOM 256 CD LYS A 16 0.389 -15.170 7.701 1.00 52.15 C ATOM 257 CE LYS A 16 1.008 -14.464 6.504 1.00 54.22 C ATOM 258 NZ LYS A 16 2.323 -15.053 6.131 1.00 23.52 N ATOM 0 H LYS A 16 1.145 -11.291 10.410 1.00 22.15 H new ATOM 0 HA LYS A 16 -1.367 -11.902 9.421 1.00 51.03 H new ATOM 0 HB2 LYS A 16 1.003 -12.832 8.877 1.00 23.10 H new ATOM 0 HB3 LYS A 16 0.714 -13.973 10.175 1.00 23.10 H new ATOM 0 HG2 LYS A 16 -1.268 -14.845 9.026 1.00 63.44 H new ATOM 0 HG3 LYS A 16 -1.110 -13.635 7.768 1.00 63.44 H new ATOM 0 HD2 LYS A 16 1.178 -15.525 8.364 1.00 52.15 H new ATOM 0 HD3 LYS A 16 -0.161 -16.048 7.362 1.00 52.15 H new ATOM 0 HE2 LYS A 16 0.328 -14.526 5.654 1.00 54.22 H new ATOM 0 HE3 LYS A 16 1.136 -13.406 6.733 1.00 54.22 H new ATOM 0 HZ1 LYS A 16 2.711 -14.544 5.311 1.00 23.52 H new ATOM 0 HZ2 LYS A 16 2.980 -14.971 6.933 1.00 23.52 H new ATOM 0 HZ3 LYS A 16 2.198 -16.056 5.888 1.00 23.52 H new ATOM 272 N GLY A 17 -2.770 -12.857 11.209 1.00 70.25 N ATOM 273 CA GLY A 17 -3.615 -13.459 12.223 1.00 13.33 C ATOM 274 C GLY A 17 -3.911 -12.510 13.368 1.00 34.30 C ATOM 275 O GLY A 17 -4.377 -12.931 14.427 1.00 1.04 O ATOM 0 H GLY A 17 -3.270 -12.339 10.487 1.00 70.25 H new ATOM 0 HA2 GLY A 17 -4.553 -13.778 11.768 1.00 13.33 H new ATOM 0 HA3 GLY A 17 -3.129 -14.353 12.613 1.00 13.33 H new ATOM 279 N TYR A 18 -3.640 -11.227 13.156 1.00 23.44 N ATOM 280 CA TYR A 18 -3.876 -10.217 14.181 1.00 61.02 C ATOM 281 C TYR A 18 -4.289 -8.890 13.552 1.00 50.21 C ATOM 282 O TYR A 18 -3.952 -8.584 12.408 1.00 53.11 O ATOM 283 CB TYR A 18 -2.621 -10.022 15.033 1.00 0.42 C ATOM 284 CG TYR A 18 -1.971 -11.318 15.460 1.00 21.31 C ATOM 285 CD1 TYR A 18 -1.076 -11.977 14.626 1.00 41.12 C ATOM 286 CD2 TYR A 18 -2.252 -11.885 16.697 1.00 73.32 C ATOM 287 CE1 TYR A 18 -0.480 -13.162 15.011 1.00 20.22 C ATOM 288 CE2 TYR A 18 -1.660 -13.069 17.091 1.00 30.40 C ATOM 289 CZ TYR A 18 -0.775 -13.704 16.245 1.00 61.12 C ATOM 290 OH TYR A 18 -0.184 -14.885 16.633 1.00 1.43 O ATOM 0 H TYR A 18 -3.257 -10.862 12.284 1.00 23.44 H new ATOM 0 HA TYR A 18 -4.689 -10.565 14.818 1.00 61.02 H new ATOM 0 HB2 TYR A 18 -1.898 -9.431 14.470 1.00 0.42 H new ATOM 0 HB3 TYR A 18 -2.881 -9.446 15.921 1.00 0.42 H new ATOM 0 HD1 TYR A 18 -0.842 -11.555 13.660 1.00 41.12 H new ATOM 0 HD2 TYR A 18 -2.945 -11.391 17.362 1.00 73.32 H new ATOM 0 HE1 TYR A 18 0.213 -13.661 14.350 1.00 20.22 H new ATOM 0 HE2 TYR A 18 -1.889 -13.495 18.057 1.00 30.40 H new ATOM 0 HH TYR A 18 -0.498 -15.129 17.529 1.00 1.43 H new ATOM 300 N PRO A 19 -5.037 -8.081 14.317 1.00 4.04 N ATOM 301 CA PRO A 19 -5.512 -6.772 13.858 1.00 64.51 C ATOM 302 C PRO A 19 -4.380 -5.760 13.722 1.00 3.22 C ATOM 303 O PRO A 19 -3.239 -6.035 14.095 1.00 63.33 O ATOM 304 CB PRO A 19 -6.485 -6.342 14.958 1.00 30.21 C ATOM 305 CG PRO A 19 -6.026 -7.069 16.175 1.00 15.21 C ATOM 306 CD PRO A 19 -5.475 -8.381 15.691 1.00 72.23 C ATOM 0 HA PRO A 19 -5.964 -6.827 12.868 1.00 64.51 H new ATOM 0 HB2 PRO A 19 -6.460 -5.263 15.109 1.00 30.21 H new ATOM 0 HB3 PRO A 19 -7.512 -6.605 14.703 1.00 30.21 H new ATOM 0 HG2 PRO A 19 -5.264 -6.498 16.706 1.00 15.21 H new ATOM 0 HG3 PRO A 19 -6.851 -7.225 16.871 1.00 15.21 H new ATOM 0 HD2 PRO A 19 -4.646 -8.722 16.311 1.00 72.23 H new ATOM 0 HD3 PRO A 19 -6.231 -9.166 15.709 1.00 72.23 H new ATOM 314 N HIS A 20 -4.702 -4.587 13.187 1.00 14.50 N ATOM 315 CA HIS A 20 -3.712 -3.532 13.003 1.00 1.33 C ATOM 316 C HIS A 20 -3.344 -2.893 14.339 1.00 13.12 C ATOM 317 O HIS A 20 -4.150 -2.871 15.270 1.00 42.12 O ATOM 318 CB HIS A 20 -4.243 -2.466 12.044 1.00 23.01 C ATOM 319 CG HIS A 20 -4.701 -3.018 10.729 1.00 21.24 C ATOM 320 ND1 HIS A 20 -5.873 -3.728 10.579 1.00 73.32 N ATOM 321 CD2 HIS A 20 -4.138 -2.960 9.500 1.00 44.20 C ATOM 322 CE1 HIS A 20 -6.010 -4.084 9.314 1.00 35.31 C ATOM 323 NE2 HIS A 20 -4.971 -3.630 8.638 1.00 3.21 N ATOM 0 H HIS A 20 -5.641 -4.343 12.873 1.00 14.50 H new ATOM 0 HA HIS A 20 -2.815 -3.980 12.575 1.00 1.33 H new ATOM 0 HB2 HIS A 20 -5.074 -1.944 12.518 1.00 23.01 H new ATOM 0 HB3 HIS A 20 -3.462 -1.727 11.866 1.00 23.01 H new ATOM 0 HD2 HIS A 20 -3.207 -2.477 9.244 1.00 44.20 H new ATOM 0 HE1 HIS A 20 -6.833 -4.650 8.903 1.00 35.31 H new ATOM 0 HE2 HIS A 20 -4.813 -3.756 7.638 1.00 3.21 H new ATOM 331 N TRP A 21 -2.124 -2.376 14.426 1.00 13.30 N ATOM 332 CA TRP A 21 -1.650 -1.737 15.649 1.00 73.22 C ATOM 333 C TRP A 21 -0.675 -0.609 15.331 1.00 21.20 C ATOM 334 O TRP A 21 0.197 -0.735 14.471 1.00 4.42 O ATOM 335 CB TRP A 21 -0.979 -2.767 16.559 1.00 33.01 C ATOM 336 CG TRP A 21 -0.434 -2.176 17.824 1.00 51.11 C ATOM 337 CD1 TRP A 21 0.803 -1.628 18.005 1.00 4.44 C ATOM 338 CD2 TRP A 21 -1.108 -2.076 19.083 1.00 21.22 C ATOM 339 NE1 TRP A 21 0.940 -1.193 19.302 1.00 55.12 N ATOM 340 CE2 TRP A 21 -0.219 -1.456 19.983 1.00 14.31 C ATOM 341 CE3 TRP A 21 -2.376 -2.448 19.538 1.00 62.53 C ATOM 342 CZ2 TRP A 21 -0.560 -1.202 21.309 1.00 1.01 C ATOM 343 CZ3 TRP A 21 -2.712 -2.196 20.854 1.00 32.31 C ATOM 344 CH2 TRP A 21 -1.808 -1.577 21.727 1.00 23.21 C ATOM 0 H TRP A 21 -1.445 -2.386 13.665 1.00 13.30 H new ATOM 0 HA TRP A 21 -2.511 -1.312 16.165 1.00 73.22 H new ATOM 0 HB2 TRP A 21 -1.701 -3.544 16.811 1.00 33.01 H new ATOM 0 HB3 TRP A 21 -0.168 -3.250 16.013 1.00 33.01 H new ATOM 0 HD1 TRP A 21 1.563 -1.548 17.241 1.00 4.44 H new ATOM 0 HE1 TRP A 21 1.770 -0.747 19.693 1.00 55.12 H new ATOM 0 HE3 TRP A 21 -3.081 -2.924 18.872 1.00 62.53 H new ATOM 0 HZ2 TRP A 21 0.136 -0.726 21.984 1.00 1.01 H new ATOM 0 HZ3 TRP A 21 -3.689 -2.481 21.216 1.00 32.31 H new ATOM 0 HH2 TRP A 21 -2.102 -1.392 22.750 1.00 23.21 H new ATOM 355 N PRO A 22 -0.823 0.520 16.040 1.00 70.14 N ATOM 356 CA PRO A 22 0.037 1.692 15.850 1.00 22.25 C ATOM 357 C PRO A 22 1.460 1.452 16.344 1.00 12.45 C ATOM 358 O PRO A 22 1.687 1.252 17.537 1.00 21.51 O ATOM 359 CB PRO A 22 -0.646 2.773 16.692 1.00 72.15 C ATOM 360 CG PRO A 22 -1.402 2.022 17.732 1.00 35.42 C ATOM 361 CD PRO A 22 -1.841 0.739 17.080 1.00 13.44 C ATOM 0 HA PRO A 22 0.142 1.955 14.797 1.00 22.25 H new ATOM 0 HB2 PRO A 22 0.085 3.445 17.142 1.00 72.15 H new ATOM 0 HB3 PRO A 22 -1.311 3.386 16.084 1.00 72.15 H new ATOM 0 HG2 PRO A 22 -0.776 1.823 18.602 1.00 35.42 H new ATOM 0 HG3 PRO A 22 -2.260 2.596 18.081 1.00 35.42 H new ATOM 0 HD2 PRO A 22 -1.871 -0.085 17.793 1.00 13.44 H new ATOM 0 HD3 PRO A 22 -2.840 0.827 16.653 1.00 13.44 H new ATOM 369 N ALA A 23 2.414 1.476 15.420 1.00 61.31 N ATOM 370 CA ALA A 23 3.815 1.264 15.762 1.00 30.34 C ATOM 371 C ALA A 23 4.717 2.241 15.016 1.00 14.21 C ATOM 372 O ALA A 23 4.236 3.125 14.306 1.00 25.01 O ATOM 373 CB ALA A 23 4.222 -0.170 15.458 1.00 74.43 C ATOM 0 H ALA A 23 2.242 1.640 14.428 1.00 61.31 H new ATOM 0 HA ALA A 23 3.933 1.445 16.830 1.00 30.34 H new ATOM 0 HB1 ALA A 23 5.271 -0.314 15.718 1.00 74.43 H new ATOM 0 HB2 ALA A 23 3.606 -0.854 16.041 1.00 74.43 H new ATOM 0 HB3 ALA A 23 4.081 -0.371 14.396 1.00 74.43 H new ATOM 379 N ARG A 24 6.025 2.077 15.182 1.00 11.12 N ATOM 380 CA ARG A 24 6.993 2.947 14.525 1.00 24.35 C ATOM 381 C ARG A 24 7.971 2.133 13.682 1.00 31.15 C ATOM 382 O ARG A 24 8.042 0.910 13.803 1.00 70.22 O ATOM 383 CB ARG A 24 7.760 3.768 15.564 1.00 71.10 C ATOM 384 CG ARG A 24 8.604 2.924 16.505 1.00 12.24 C ATOM 385 CD ARG A 24 10.018 2.745 15.977 1.00 43.24 C ATOM 386 NE ARG A 24 10.953 3.690 16.583 1.00 72.24 N ATOM 387 CZ ARG A 24 12.269 3.509 16.607 1.00 35.42 C ATOM 388 NH1 ARG A 24 12.802 2.424 16.062 1.00 11.02 N ATOM 389 NH2 ARG A 24 13.054 4.414 17.177 1.00 34.35 N ATOM 0 H ARG A 24 6.439 1.350 15.766 1.00 11.12 H new ATOM 0 HA ARG A 24 6.448 3.624 13.867 1.00 24.35 H new ATOM 0 HB2 ARG A 24 8.406 4.478 15.048 1.00 71.10 H new ATOM 0 HB3 ARG A 24 7.050 4.351 16.151 1.00 71.10 H new ATOM 0 HG2 ARG A 24 8.638 3.396 17.487 1.00 12.24 H new ATOM 0 HG3 ARG A 24 8.138 1.948 16.637 1.00 12.24 H new ATOM 0 HD2 ARG A 24 10.353 1.727 16.175 1.00 43.24 H new ATOM 0 HD3 ARG A 24 10.020 2.876 14.895 1.00 43.24 H new ATOM 0 HE ARG A 24 10.575 4.535 17.011 1.00 72.24 H new ATOM 0 HH11 ARG A 24 12.201 1.726 15.623 1.00 11.02 H new ATOM 0 HH12 ARG A 24 13.813 2.287 16.082 1.00 11.02 H new ATOM 0 HH21 ARG A 24 12.647 5.250 17.597 1.00 34.35 H new ATOM 0 HH22 ARG A 24 14.064 4.274 17.195 1.00 34.35 H new ATOM 403 N VAL A 25 8.723 2.820 12.828 1.00 14.45 N ATOM 404 CA VAL A 25 9.696 2.162 11.966 1.00 43.13 C ATOM 405 C VAL A 25 11.116 2.373 12.479 1.00 44.35 C ATOM 406 O VAL A 25 11.502 3.489 12.828 1.00 14.02 O ATOM 407 CB VAL A 25 9.603 2.679 10.518 1.00 60.13 C ATOM 408 CG1 VAL A 25 10.671 2.031 9.650 1.00 42.54 C ATOM 409 CG2 VAL A 25 8.215 2.423 9.949 1.00 3.05 C ATOM 0 H VAL A 25 8.677 3.833 12.715 1.00 14.45 H new ATOM 0 HA VAL A 25 9.462 1.097 11.980 1.00 43.13 H new ATOM 0 HB VAL A 25 9.776 3.755 10.523 1.00 60.13 H new ATOM 0 HG11 VAL A 25 10.590 2.408 8.631 1.00 42.54 H new ATOM 0 HG12 VAL A 25 11.657 2.270 10.048 1.00 42.54 H new ATOM 0 HG13 VAL A 25 10.532 0.950 9.649 1.00 42.54 H new ATOM 0 HG21 VAL A 25 8.167 2.795 8.925 1.00 3.05 H new ATOM 0 HG22 VAL A 25 8.011 1.352 9.956 1.00 3.05 H new ATOM 0 HG23 VAL A 25 7.472 2.938 10.557 1.00 3.05 H new ATOM 419 N ASP A 26 11.891 1.295 12.520 1.00 33.32 N ATOM 420 CA ASP A 26 13.270 1.361 12.989 1.00 40.40 C ATOM 421 C ASP A 26 14.245 1.322 11.816 1.00 10.43 C ATOM 422 O ASP A 26 13.887 0.911 10.713 1.00 21.34 O ATOM 423 CB ASP A 26 13.561 0.207 13.949 1.00 62.10 C ATOM 424 CG ASP A 26 14.865 0.393 14.700 1.00 13.53 C ATOM 425 OD1 ASP A 26 15.232 1.556 14.971 1.00 34.24 O ATOM 426 OD2 ASP A 26 15.518 -0.623 15.017 1.00 44.25 O ATOM 0 H ASP A 26 11.587 0.364 12.234 1.00 33.32 H new ATOM 0 HA ASP A 26 13.403 2.305 13.518 1.00 40.40 H new ATOM 0 HB2 ASP A 26 12.743 0.118 14.664 1.00 62.10 H new ATOM 0 HB3 ASP A 26 13.598 -0.727 13.389 1.00 62.10 H new ATOM 431 N GLU A 27 15.478 1.755 12.063 1.00 35.03 N ATOM 432 CA GLU A 27 16.503 1.771 11.027 1.00 71.14 C ATOM 433 C GLU A 27 17.207 0.420 10.937 1.00 4.23 C ATOM 434 O GLU A 27 16.947 -0.482 11.733 1.00 21.22 O ATOM 435 CB GLU A 27 17.525 2.874 11.306 1.00 3.34 C ATOM 436 CG GLU A 27 16.909 4.258 11.430 1.00 24.23 C ATOM 437 CD GLU A 27 17.860 5.267 12.044 1.00 21.13 C ATOM 438 OE1 GLU A 27 18.739 5.773 11.315 1.00 15.51 O ATOM 439 OE2 GLU A 27 17.726 5.550 13.253 1.00 24.31 O ATOM 0 H GLU A 27 15.790 2.099 12.971 1.00 35.03 H new ATOM 0 HA GLU A 27 16.015 1.971 10.073 1.00 71.14 H new ATOM 0 HB2 GLU A 27 18.058 2.639 12.227 1.00 3.34 H new ATOM 0 HB3 GLU A 27 18.263 2.885 10.504 1.00 3.34 H new ATOM 0 HG2 GLU A 27 16.604 4.606 10.443 1.00 24.23 H new ATOM 0 HG3 GLU A 27 16.007 4.197 12.039 1.00 24.23 H new ATOM 585 N ASN A 38 12.975 -9.537 3.213 1.00 21.42 N ATOM 586 CA ASN A 38 11.949 -8.869 2.421 1.00 31.41 C ATOM 587 C ASN A 38 10.956 -8.139 3.321 1.00 65.20 C ATOM 588 O ASN A 38 9.797 -7.944 2.956 1.00 70.22 O ATOM 589 CB ASN A 38 11.210 -9.884 1.546 1.00 40.32 C ATOM 590 CG ASN A 38 10.570 -9.241 0.331 1.00 53.13 C ATOM 591 OD1 ASN A 38 9.380 -8.924 0.337 1.00 42.42 O ATOM 592 ND2 ASN A 38 11.358 -9.046 -0.720 1.00 22.01 N ATOM 0 HA ASN A 38 12.439 -8.136 1.781 1.00 31.41 H new ATOM 0 HB2 ASN A 38 11.908 -10.655 1.220 1.00 40.32 H new ATOM 0 HB3 ASN A 38 10.441 -10.379 2.139 1.00 40.32 H new ATOM 0 HD21 ASN A 38 10.983 -8.618 -1.566 1.00 22.01 H new ATOM 0 HD22 ASN A 38 12.339 -9.324 -0.681 1.00 22.01 H new ATOM 599 N LYS A 39 11.420 -7.737 4.499 1.00 0.14 N ATOM 600 CA LYS A 39 10.575 -7.026 5.452 1.00 25.32 C ATOM 601 C LYS A 39 11.368 -5.948 6.183 1.00 5.33 C ATOM 602 O LYS A 39 12.575 -5.805 5.981 1.00 61.13 O ATOM 603 CB LYS A 39 9.975 -8.006 6.463 1.00 63.31 C ATOM 604 CG LYS A 39 9.421 -9.270 5.829 1.00 71.40 C ATOM 605 CD LYS A 39 8.723 -10.148 6.854 1.00 20.41 C ATOM 606 CE LYS A 39 8.528 -11.564 6.334 1.00 33.44 C ATOM 607 NZ LYS A 39 8.474 -12.559 7.441 1.00 23.14 N ATOM 0 H LYS A 39 12.377 -7.891 4.817 1.00 0.14 H new ATOM 0 HA LYS A 39 9.769 -6.546 4.897 1.00 25.32 H new ATOM 0 HB2 LYS A 39 10.740 -8.279 7.190 1.00 63.31 H new ATOM 0 HB3 LYS A 39 9.178 -7.506 7.012 1.00 63.31 H new ATOM 0 HG2 LYS A 39 8.719 -9.004 5.038 1.00 71.40 H new ATOM 0 HG3 LYS A 39 10.232 -9.829 5.361 1.00 71.40 H new ATOM 0 HD2 LYS A 39 9.310 -10.174 7.772 1.00 20.41 H new ATOM 0 HD3 LYS A 39 7.755 -9.715 7.106 1.00 20.41 H new ATOM 0 HE2 LYS A 39 7.606 -11.614 5.755 1.00 33.44 H new ATOM 0 HE3 LYS A 39 9.344 -11.818 5.657 1.00 33.44 H new ATOM 0 HZ1 LYS A 39 8.340 -13.511 7.045 1.00 23.14 H new ATOM 0 HZ2 LYS A 39 9.364 -12.529 7.978 1.00 23.14 H new ATOM 0 HZ3 LYS A 39 7.680 -12.332 8.073 1.00 23.14 H new ATOM 621 N LEU A 40 10.684 -5.192 7.035 1.00 42.44 N ATOM 622 CA LEU A 40 11.325 -4.126 7.798 1.00 63.33 C ATOM 623 C LEU A 40 10.995 -4.245 9.282 1.00 31.00 C ATOM 624 O LEU A 40 10.005 -4.862 9.675 1.00 32.13 O ATOM 625 CB LEU A 40 10.883 -2.759 7.273 1.00 64.11 C ATOM 626 CG LEU A 40 9.445 -2.669 6.761 1.00 23.50 C ATOM 627 CD1 LEU A 40 8.890 -1.269 6.972 1.00 61.43 C ATOM 628 CD2 LEU A 40 9.377 -3.057 5.291 1.00 44.41 C ATOM 0 H LEU A 40 9.686 -5.297 7.215 1.00 42.44 H new ATOM 0 HA LEU A 40 12.404 -4.223 7.676 1.00 63.33 H new ATOM 0 HB2 LEU A 40 11.010 -2.027 8.071 1.00 64.11 H new ATOM 0 HB3 LEU A 40 11.554 -2.468 6.465 1.00 64.11 H new ATOM 0 HG LEU A 40 8.833 -3.369 7.329 1.00 23.50 H new ATOM 0 HD11 LEU A 40 7.866 -1.224 6.602 1.00 61.43 H new ATOM 0 HD12 LEU A 40 8.902 -1.029 8.035 1.00 61.43 H new ATOM 0 HD13 LEU A 40 9.504 -0.549 6.431 1.00 61.43 H new ATOM 0 HD21 LEU A 40 8.346 -2.987 4.944 1.00 44.41 H new ATOM 0 HD22 LEU A 40 10.003 -2.382 4.707 1.00 44.41 H new ATOM 0 HD23 LEU A 40 9.733 -4.080 5.168 1.00 44.41 H new ATOM 640 N PRO A 41 11.842 -3.639 10.127 1.00 14.33 N ATOM 641 CA PRO A 41 11.659 -3.660 11.582 1.00 52.23 C ATOM 642 C PRO A 41 10.462 -2.827 12.028 1.00 41.43 C ATOM 643 O PRO A 41 10.370 -1.639 11.715 1.00 73.22 O ATOM 644 CB PRO A 41 12.960 -3.053 12.112 1.00 43.14 C ATOM 645 CG PRO A 41 13.460 -2.198 10.999 1.00 41.32 C ATOM 646 CD PRO A 41 13.042 -2.885 9.728 1.00 22.24 C ATOM 0 HA PRO A 41 11.459 -4.665 11.953 1.00 52.23 H new ATOM 0 HB2 PRO A 41 12.785 -2.466 13.014 1.00 43.14 H new ATOM 0 HB3 PRO A 41 13.682 -3.828 12.371 1.00 43.14 H new ATOM 0 HG2 PRO A 41 13.037 -1.195 11.057 1.00 41.32 H new ATOM 0 HG3 PRO A 41 14.544 -2.091 11.046 1.00 41.32 H new ATOM 0 HD2 PRO A 41 12.822 -2.168 8.937 1.00 22.24 H new ATOM 0 HD3 PRO A 41 13.824 -3.544 9.351 1.00 22.24 H new ATOM 654 N ILE A 42 9.549 -3.456 12.760 1.00 40.42 N ATOM 655 CA ILE A 42 8.359 -2.771 13.250 1.00 42.23 C ATOM 656 C ILE A 42 8.264 -2.853 14.769 1.00 4.35 C ATOM 657 O ILE A 42 7.845 -3.870 15.322 1.00 15.42 O ATOM 658 CB ILE A 42 7.077 -3.361 12.634 1.00 14.41 C ATOM 659 CG1 ILE A 42 7.212 -3.455 11.113 1.00 54.11 C ATOM 660 CG2 ILE A 42 5.870 -2.515 13.013 1.00 50.11 C ATOM 661 CD1 ILE A 42 7.509 -2.128 10.449 1.00 33.43 C ATOM 0 H ILE A 42 9.610 -4.439 13.027 1.00 40.42 H new ATOM 0 HA ILE A 42 8.450 -1.727 12.950 1.00 42.23 H new ATOM 0 HB ILE A 42 6.931 -4.366 13.029 1.00 14.41 H new ATOM 0 HG12 ILE A 42 8.007 -4.160 10.870 1.00 54.11 H new ATOM 0 HG13 ILE A 42 6.289 -3.861 10.699 1.00 54.11 H new ATOM 0 HG21 ILE A 42 4.971 -2.944 12.570 1.00 50.11 H new ATOM 0 HG22 ILE A 42 5.766 -2.495 14.098 1.00 50.11 H new ATOM 0 HG23 ILE A 42 6.007 -1.499 12.643 1.00 50.11 H new ATOM 0 HD11 ILE A 42 7.591 -2.271 9.372 1.00 33.43 H new ATOM 0 HD12 ILE A 42 6.702 -1.426 10.661 1.00 33.43 H new ATOM 0 HD13 ILE A 42 8.447 -1.730 10.835 1.00 33.43 H new ATOM 673 N PHE A 43 8.656 -1.774 15.440 1.00 31.32 N ATOM 674 CA PHE A 43 8.614 -1.723 16.897 1.00 65.20 C ATOM 675 C PHE A 43 7.195 -1.462 17.392 1.00 51.32 C ATOM 676 O PHE A 43 6.674 -0.354 17.262 1.00 5.52 O ATOM 677 CB PHE A 43 9.556 -0.636 17.417 1.00 5.43 C ATOM 678 CG PHE A 43 9.747 -0.670 18.907 1.00 40.23 C ATOM 679 CD1 PHE A 43 10.270 -1.794 19.526 1.00 40.32 C ATOM 680 CD2 PHE A 43 9.404 0.422 19.688 1.00 73.13 C ATOM 681 CE1 PHE A 43 10.446 -1.828 20.896 1.00 34.02 C ATOM 682 CE2 PHE A 43 9.577 0.394 21.059 1.00 64.43 C ATOM 683 CZ PHE A 43 10.100 -0.733 21.663 1.00 0.35 C ATOM 0 H PHE A 43 9.006 -0.924 14.998 1.00 31.32 H new ATOM 0 HA PHE A 43 8.940 -2.690 17.279 1.00 65.20 H new ATOM 0 HB2 PHE A 43 10.526 -0.745 16.932 1.00 5.43 H new ATOM 0 HB3 PHE A 43 9.164 0.340 17.131 1.00 5.43 H new ATOM 0 HD1 PHE A 43 10.543 -2.653 18.931 1.00 40.32 H new ATOM 0 HD2 PHE A 43 8.997 1.306 19.220 1.00 73.13 H new ATOM 0 HE1 PHE A 43 10.854 -2.710 21.367 1.00 34.02 H new ATOM 0 HE2 PHE A 43 9.304 1.251 21.657 1.00 64.43 H new ATOM 0 HZ PHE A 43 10.238 -0.758 22.734 1.00 0.35 H new ATOM 693 N PHE A 44 6.574 -2.490 17.959 1.00 74.50 N ATOM 694 CA PHE A 44 5.214 -2.374 18.472 1.00 13.33 C ATOM 695 C PHE A 44 5.174 -1.481 19.709 1.00 10.01 C ATOM 696 O PHE A 44 5.807 -1.777 20.723 1.00 73.11 O ATOM 697 CB PHE A 44 4.653 -3.757 18.809 1.00 14.34 C ATOM 698 CG PHE A 44 3.876 -4.379 17.684 1.00 22.24 C ATOM 699 CD1 PHE A 44 4.532 -4.981 16.623 1.00 73.43 C ATOM 700 CD2 PHE A 44 2.491 -4.362 17.688 1.00 13.44 C ATOM 701 CE1 PHE A 44 3.820 -5.555 15.586 1.00 63.51 C ATOM 702 CE2 PHE A 44 1.774 -4.934 16.655 1.00 60.42 C ATOM 703 CZ PHE A 44 2.440 -5.531 15.602 1.00 55.13 C ATOM 0 H PHE A 44 6.991 -3.414 18.075 1.00 74.50 H new ATOM 0 HA PHE A 44 4.598 -1.919 17.697 1.00 13.33 H new ATOM 0 HB2 PHE A 44 5.476 -4.418 19.080 1.00 14.34 H new ATOM 0 HB3 PHE A 44 4.008 -3.675 19.684 1.00 14.34 H new ATOM 0 HD1 PHE A 44 5.612 -5.002 16.606 1.00 73.43 H new ATOM 0 HD2 PHE A 44 1.965 -3.896 18.508 1.00 13.44 H new ATOM 0 HE1 PHE A 44 4.343 -6.022 14.764 1.00 63.51 H new ATOM 0 HE2 PHE A 44 0.694 -4.915 16.671 1.00 60.42 H new ATOM 0 HZ PHE A 44 1.882 -5.978 14.793 1.00 55.13 H new ATOM 713 N PHE A 45 4.426 -0.386 19.617 1.00 22.25 N ATOM 714 CA PHE A 45 4.304 0.552 20.728 1.00 64.54 C ATOM 715 C PHE A 45 3.384 -0.004 21.811 1.00 65.43 C ATOM 716 O PHE A 45 2.335 -0.575 21.516 1.00 11.24 O ATOM 717 CB PHE A 45 3.771 1.897 20.231 1.00 71.35 C ATOM 718 CG PHE A 45 4.846 2.921 20.002 1.00 32.52 C ATOM 719 CD1 PHE A 45 5.776 3.200 20.990 1.00 20.03 C ATOM 720 CD2 PHE A 45 4.926 3.604 18.799 1.00 32.15 C ATOM 721 CE1 PHE A 45 6.767 4.141 20.783 1.00 12.33 C ATOM 722 CE2 PHE A 45 5.914 4.546 18.587 1.00 64.13 C ATOM 723 CZ PHE A 45 6.835 4.816 19.580 1.00 23.12 C ATOM 0 H PHE A 45 3.896 -0.126 18.785 1.00 22.25 H new ATOM 0 HA PHE A 45 5.295 0.698 21.158 1.00 64.54 H new ATOM 0 HB2 PHE A 45 3.225 1.741 19.301 1.00 71.35 H new ATOM 0 HB3 PHE A 45 3.058 2.287 20.957 1.00 71.35 H new ATOM 0 HD1 PHE A 45 5.726 2.676 21.933 1.00 20.03 H new ATOM 0 HD2 PHE A 45 4.208 3.398 18.019 1.00 32.15 H new ATOM 0 HE1 PHE A 45 7.487 4.348 21.561 1.00 12.33 H new ATOM 0 HE2 PHE A 45 5.966 5.071 17.645 1.00 64.13 H new ATOM 0 HZ PHE A 45 7.607 5.553 19.416 1.00 23.12 H new ATOM 733 N GLY A 46 3.788 0.166 23.066 1.00 15.33 N ATOM 734 CA GLY A 46 2.989 -0.324 24.175 1.00 44.03 C ATOM 735 C GLY A 46 3.379 -1.728 24.594 1.00 44.43 C ATOM 736 O GLY A 46 3.383 -2.051 25.782 1.00 70.20 O ATOM 0 H GLY A 46 4.654 0.634 23.335 1.00 15.33 H new ATOM 0 HA2 GLY A 46 3.100 0.350 25.025 1.00 44.03 H new ATOM 0 HA3 GLY A 46 1.936 -0.311 23.894 1.00 44.03 H new ATOM 740 N THR A 47 3.708 -2.566 23.616 1.00 53.05 N ATOM 741 CA THR A 47 4.098 -3.943 23.888 1.00 20.43 C ATOM 742 C THR A 47 5.606 -4.123 23.761 1.00 44.11 C ATOM 743 O THR A 47 6.146 -5.179 24.092 1.00 63.11 O ATOM 744 CB THR A 47 3.393 -4.926 22.935 1.00 62.44 C ATOM 745 OG1 THR A 47 3.978 -4.848 21.630 1.00 51.41 O ATOM 746 CG2 THR A 47 1.905 -4.623 22.848 1.00 30.30 C ATOM 0 H THR A 47 3.712 -2.314 22.628 1.00 53.05 H new ATOM 0 HA THR A 47 3.794 -4.160 24.912 1.00 20.43 H new ATOM 0 HB THR A 47 3.520 -5.934 23.330 1.00 62.44 H new ATOM 0 HG1 THR A 47 3.525 -5.477 21.030 1.00 51.41 H new ATOM 0 HG21 THR A 47 1.429 -5.330 22.169 1.00 30.30 H new ATOM 0 HG22 THR A 47 1.457 -4.712 23.838 1.00 30.30 H new ATOM 0 HG23 THR A 47 1.761 -3.609 22.475 1.00 30.30 H new ATOM 754 N HIS A 48 6.283 -3.085 23.280 1.00 52.42 N ATOM 755 CA HIS A 48 7.731 -3.128 23.110 1.00 11.30 C ATOM 756 C HIS A 48 8.149 -4.365 22.321 1.00 53.11 C ATOM 757 O HIS A 48 9.247 -4.888 22.505 1.00 1.25 O ATOM 758 CB HIS A 48 8.426 -3.119 24.472 1.00 53.50 C ATOM 759 CG HIS A 48 8.010 -1.978 25.349 1.00 52.22 C ATOM 760 ND1 HIS A 48 8.530 -0.707 25.227 1.00 10.43 N ATOM 761 CD2 HIS A 48 7.116 -1.922 26.364 1.00 4.42 C ATOM 762 CE1 HIS A 48 7.976 0.082 26.131 1.00 30.31 C ATOM 763 NE2 HIS A 48 7.114 -0.631 26.834 1.00 61.24 N ATOM 0 H HIS A 48 5.852 -2.204 23.001 1.00 52.42 H new ATOM 0 HA HIS A 48 8.033 -2.243 22.550 1.00 11.30 H new ATOM 0 HB2 HIS A 48 8.214 -4.057 24.985 1.00 53.50 H new ATOM 0 HB3 HIS A 48 9.504 -3.075 24.320 1.00 53.50 H new ATOM 0 HD2 HIS A 48 6.516 -2.740 26.735 1.00 4.42 H new ATOM 0 HE1 HIS A 48 8.191 1.131 26.271 1.00 30.31 H new ATOM 0 HE2 HIS A 48 6.540 -0.280 27.601 1.00 61.24 H new ATOM 771 N GLU A 49 7.265 -4.827 21.442 1.00 35.24 N ATOM 772 CA GLU A 49 7.542 -6.004 20.627 1.00 3.21 C ATOM 773 C GLU A 49 8.128 -5.604 19.276 1.00 3.41 C ATOM 774 O GLU A 49 8.237 -4.418 18.960 1.00 63.55 O ATOM 775 CB GLU A 49 6.265 -6.821 20.420 1.00 44.14 C ATOM 776 CG GLU A 49 5.712 -7.421 21.701 1.00 12.10 C ATOM 777 CD GLU A 49 4.460 -8.244 21.467 1.00 60.14 C ATOM 778 OE1 GLU A 49 3.883 -8.144 20.364 1.00 53.44 O ATOM 779 OE2 GLU A 49 4.058 -8.988 22.385 1.00 14.12 O ATOM 0 H GLU A 49 6.352 -4.404 21.276 1.00 35.24 H new ATOM 0 HA GLU A 49 8.274 -6.616 21.155 1.00 3.21 H new ATOM 0 HB2 GLU A 49 5.505 -6.183 19.970 1.00 44.14 H new ATOM 0 HB3 GLU A 49 6.468 -7.624 19.711 1.00 44.14 H new ATOM 0 HG2 GLU A 49 6.474 -8.049 22.162 1.00 12.10 H new ATOM 0 HG3 GLU A 49 5.489 -6.620 22.406 1.00 12.10 H new ATOM 786 N THR A 50 8.505 -6.601 18.482 1.00 23.22 N ATOM 787 CA THR A 50 9.082 -6.355 17.167 1.00 52.15 C ATOM 788 C THR A 50 8.716 -7.466 16.189 1.00 11.11 C ATOM 789 O THR A 50 8.970 -8.642 16.448 1.00 13.13 O ATOM 790 CB THR A 50 10.616 -6.235 17.239 1.00 52.22 C ATOM 791 OG1 THR A 50 11.178 -6.335 15.926 1.00 75.45 O ATOM 792 CG2 THR A 50 11.202 -7.319 18.131 1.00 51.30 C ATOM 0 H THR A 50 8.421 -7.587 18.727 1.00 23.22 H new ATOM 0 HA THR A 50 8.668 -5.411 16.812 1.00 52.15 H new ATOM 0 HB THR A 50 10.862 -5.263 17.666 1.00 52.22 H new ATOM 0 HG1 THR A 50 12.153 -6.256 15.981 1.00 75.45 H new ATOM 0 HG21 THR A 50 12.286 -7.214 18.167 1.00 51.30 H new ATOM 0 HG22 THR A 50 10.795 -7.222 19.137 1.00 51.30 H new ATOM 0 HG23 THR A 50 10.945 -8.299 17.729 1.00 51.30 H new ATOM 800 N ALA A 51 8.119 -7.085 15.064 1.00 32.45 N ATOM 801 CA ALA A 51 7.721 -8.050 14.047 1.00 74.11 C ATOM 802 C ALA A 51 8.130 -7.580 12.655 1.00 22.51 C ATOM 803 O ALA A 51 7.925 -6.421 12.295 1.00 62.23 O ATOM 804 CB ALA A 51 6.219 -8.289 14.105 1.00 40.23 C ATOM 0 H ALA A 51 7.901 -6.115 14.834 1.00 32.45 H new ATOM 0 HA ALA A 51 8.235 -8.989 14.251 1.00 74.11 H new ATOM 0 HB1 ALA A 51 5.936 -9.012 13.340 1.00 40.23 H new ATOM 0 HB2 ALA A 51 5.950 -8.676 15.088 1.00 40.23 H new ATOM 0 HB3 ALA A 51 5.694 -7.350 13.929 1.00 40.23 H new ATOM 810 N PHE A 52 8.711 -8.488 11.877 1.00 51.43 N ATOM 811 CA PHE A 52 9.151 -8.165 10.524 1.00 22.44 C ATOM 812 C PHE A 52 8.001 -8.301 9.531 1.00 60.40 C ATOM 813 O PHE A 52 7.442 -9.385 9.355 1.00 65.12 O ATOM 814 CB PHE A 52 10.308 -9.078 10.111 1.00 52.32 C ATOM 815 CG PHE A 52 11.634 -8.659 10.678 1.00 41.22 C ATOM 816 CD1 PHE A 52 12.089 -7.359 10.525 1.00 54.04 C ATOM 817 CD2 PHE A 52 12.427 -9.565 11.364 1.00 74.23 C ATOM 818 CE1 PHE A 52 13.308 -6.970 11.045 1.00 24.04 C ATOM 819 CE2 PHE A 52 13.647 -9.182 11.887 1.00 11.11 C ATOM 820 CZ PHE A 52 14.089 -7.883 11.727 1.00 70.23 C ATOM 0 H PHE A 52 8.888 -9.452 12.160 1.00 51.43 H new ATOM 0 HA PHE A 52 9.493 -7.130 10.516 1.00 22.44 H new ATOM 0 HB2 PHE A 52 10.090 -10.096 10.433 1.00 52.32 H new ATOM 0 HB3 PHE A 52 10.376 -9.095 9.023 1.00 52.32 H new ATOM 0 HD1 PHE A 52 11.483 -6.641 9.993 1.00 54.04 H new ATOM 0 HD2 PHE A 52 12.087 -10.582 11.491 1.00 74.23 H new ATOM 0 HE1 PHE A 52 13.650 -5.953 10.919 1.00 24.04 H new ATOM 0 HE2 PHE A 52 14.255 -9.898 12.421 1.00 11.11 H new ATOM 0 HZ PHE A 52 15.043 -7.582 12.134 1.00 70.23 H new ATOM 830 N LEU A 53 7.652 -7.195 8.885 1.00 54.33 N ATOM 831 CA LEU A 53 6.567 -7.189 7.909 1.00 44.44 C ATOM 832 C LEU A 53 6.874 -6.233 6.760 1.00 11.33 C ATOM 833 O LEU A 53 7.183 -5.062 6.979 1.00 32.11 O ATOM 834 CB LEU A 53 5.252 -6.791 8.581 1.00 70.42 C ATOM 835 CG LEU A 53 4.942 -7.481 9.910 1.00 63.22 C ATOM 836 CD1 LEU A 53 3.819 -6.759 10.637 1.00 0.42 C ATOM 837 CD2 LEU A 53 4.580 -8.941 9.681 1.00 35.21 C ATOM 0 H LEU A 53 8.104 -6.290 9.019 1.00 54.33 H new ATOM 0 HA LEU A 53 6.470 -8.196 7.504 1.00 44.44 H new ATOM 0 HB2 LEU A 53 5.264 -5.714 8.748 1.00 70.42 H new ATOM 0 HB3 LEU A 53 4.436 -6.997 7.888 1.00 70.42 H new ATOM 0 HG LEU A 53 5.835 -7.442 10.534 1.00 63.22 H new ATOM 0 HD11 LEU A 53 3.612 -7.264 11.580 1.00 0.42 H new ATOM 0 HD12 LEU A 53 4.116 -5.729 10.835 1.00 0.42 H new ATOM 0 HD13 LEU A 53 2.922 -6.765 10.018 1.00 0.42 H new ATOM 0 HD21 LEU A 53 4.363 -9.416 10.638 1.00 35.21 H new ATOM 0 HD22 LEU A 53 3.702 -9.002 9.038 1.00 35.21 H new ATOM 0 HD23 LEU A 53 5.416 -9.452 9.203 1.00 35.21 H new ATOM 849 N GLY A 54 6.784 -6.740 5.534 1.00 10.04 N ATOM 850 CA GLY A 54 7.053 -5.917 4.370 1.00 75.24 C ATOM 851 C GLY A 54 6.189 -4.672 4.327 1.00 34.43 C ATOM 852 O GLY A 54 5.347 -4.445 5.197 1.00 42.01 O ATOM 0 H GLY A 54 6.530 -7.706 5.327 1.00 10.04 H new ATOM 0 HA2 GLY A 54 8.104 -5.626 4.369 1.00 75.24 H new ATOM 0 HA3 GLY A 54 6.884 -6.504 3.467 1.00 75.24 H new ATOM 856 N PRO A 55 6.394 -3.839 3.296 1.00 21.43 N ATOM 857 CA PRO A 55 5.638 -2.596 3.120 1.00 33.21 C ATOM 858 C PRO A 55 4.181 -2.852 2.750 1.00 14.32 C ATOM 859 O PRO A 55 3.292 -2.080 3.113 1.00 24.34 O ATOM 860 CB PRO A 55 6.367 -1.897 1.970 1.00 72.42 C ATOM 861 CG PRO A 55 7.016 -3.000 1.207 1.00 31.31 C ATOM 862 CD PRO A 55 7.380 -4.047 2.223 1.00 64.42 C ATOM 0 HA PRO A 55 5.599 -2.009 4.037 1.00 33.21 H new ATOM 0 HB2 PRO A 55 5.673 -1.337 1.343 1.00 72.42 H new ATOM 0 HB3 PRO A 55 7.104 -1.186 2.343 1.00 72.42 H new ATOM 0 HG2 PRO A 55 6.339 -3.405 0.454 1.00 31.31 H new ATOM 0 HG3 PRO A 55 7.901 -2.642 0.681 1.00 31.31 H new ATOM 0 HD2 PRO A 55 7.314 -5.052 1.806 1.00 64.42 H new ATOM 0 HD3 PRO A 55 8.400 -3.919 2.584 1.00 64.42 H new ATOM 870 N LYS A 56 3.941 -3.939 2.026 1.00 71.52 N ATOM 871 CA LYS A 56 2.591 -4.299 1.608 1.00 41.34 C ATOM 872 C LYS A 56 1.779 -4.827 2.786 1.00 52.22 C ATOM 873 O LYS A 56 0.572 -5.044 2.672 1.00 23.23 O ATOM 874 CB LYS A 56 2.642 -5.351 0.497 1.00 10.43 C ATOM 875 CG LYS A 56 2.816 -4.761 -0.892 1.00 25.14 C ATOM 876 CD LYS A 56 1.499 -4.250 -1.450 1.00 1.52 C ATOM 877 CE LYS A 56 0.679 -5.374 -2.063 1.00 63.42 C ATOM 878 NZ LYS A 56 -0.557 -4.866 -2.719 1.00 51.31 N ATOM 0 H LYS A 56 4.665 -4.587 1.716 1.00 71.52 H new ATOM 0 HA LYS A 56 2.104 -3.401 1.227 1.00 41.34 H new ATOM 0 HB2 LYS A 56 3.464 -6.038 0.696 1.00 10.43 H new ATOM 0 HB3 LYS A 56 1.724 -5.937 0.521 1.00 10.43 H new ATOM 0 HG2 LYS A 56 3.537 -3.945 -0.854 1.00 25.14 H new ATOM 0 HG3 LYS A 56 3.226 -5.518 -1.561 1.00 25.14 H new ATOM 0 HD2 LYS A 56 0.927 -3.773 -0.655 1.00 1.52 H new ATOM 0 HD3 LYS A 56 1.694 -3.487 -2.204 1.00 1.52 H new ATOM 0 HE2 LYS A 56 1.285 -5.908 -2.795 1.00 63.42 H new ATOM 0 HE3 LYS A 56 0.410 -6.091 -1.288 1.00 63.42 H new ATOM 0 HZ1 LYS A 56 -1.088 -5.663 -3.124 1.00 51.31 H new ATOM 0 HZ2 LYS A 56 -1.148 -4.378 -2.016 1.00 51.31 H new ATOM 0 HZ3 LYS A 56 -0.300 -4.201 -3.476 1.00 51.31 H new ATOM 892 N ASP A 57 2.447 -5.029 3.916 1.00 62.43 N ATOM 893 CA ASP A 57 1.787 -5.529 5.116 1.00 74.42 C ATOM 894 C ASP A 57 1.502 -4.393 6.093 1.00 60.10 C ATOM 895 O ASP A 57 0.571 -4.470 6.895 1.00 54.32 O ATOM 896 CB ASP A 57 2.649 -6.596 5.792 1.00 64.11 C ATOM 897 CG ASP A 57 2.333 -7.994 5.299 1.00 63.42 C ATOM 898 OD1 ASP A 57 1.136 -8.306 5.128 1.00 25.40 O ATOM 899 OD2 ASP A 57 3.283 -8.777 5.085 1.00 72.25 O ATOM 0 H ASP A 57 3.446 -4.854 4.026 1.00 62.43 H new ATOM 0 HA ASP A 57 0.838 -5.975 4.819 1.00 74.42 H new ATOM 0 HB2 ASP A 57 3.701 -6.379 5.609 1.00 64.11 H new ATOM 0 HB3 ASP A 57 2.498 -6.551 6.871 1.00 64.11 H new ATOM 904 N ILE A 58 2.311 -3.341 6.021 1.00 75.22 N ATOM 905 CA ILE A 58 2.145 -2.190 6.899 1.00 42.41 C ATOM 906 C ILE A 58 1.391 -1.066 6.196 1.00 34.21 C ATOM 907 O ILE A 58 1.677 -0.737 5.045 1.00 41.41 O ATOM 908 CB ILE A 58 3.504 -1.653 7.386 1.00 23.52 C ATOM 909 CG1 ILE A 58 4.427 -1.384 6.196 1.00 42.11 C ATOM 910 CG2 ILE A 58 4.148 -2.639 8.350 1.00 71.32 C ATOM 911 CD1 ILE A 58 5.736 -0.732 6.582 1.00 4.20 C ATOM 0 H ILE A 58 3.087 -3.262 5.364 1.00 75.22 H new ATOM 0 HA ILE A 58 1.568 -2.530 7.759 1.00 42.41 H new ATOM 0 HB ILE A 58 3.339 -0.713 7.913 1.00 23.52 H new ATOM 0 HG12 ILE A 58 4.635 -2.326 5.688 1.00 42.11 H new ATOM 0 HG13 ILE A 58 3.909 -0.744 5.482 1.00 42.11 H new ATOM 0 HG21 ILE A 58 5.108 -2.246 8.686 1.00 71.32 H new ATOM 0 HG22 ILE A 58 3.495 -2.786 9.210 1.00 71.32 H new ATOM 0 HG23 ILE A 58 4.303 -3.593 7.845 1.00 71.32 H new ATOM 0 HD11 ILE A 58 6.340 -0.571 5.689 1.00 4.20 H new ATOM 0 HD12 ILE A 58 5.537 0.226 7.063 1.00 4.20 H new ATOM 0 HD13 ILE A 58 6.276 -1.380 7.273 1.00 4.20 H new ATOM 923 N PHE A 59 0.426 -0.480 6.897 1.00 12.02 N ATOM 924 CA PHE A 59 -0.370 0.608 6.341 1.00 12.01 C ATOM 925 C PHE A 59 -0.131 1.905 7.109 1.00 32.54 C ATOM 926 O PHE A 59 0.377 1.907 8.231 1.00 63.43 O ATOM 927 CB PHE A 59 -1.857 0.249 6.374 1.00 32.13 C ATOM 928 CG PHE A 59 -2.360 -0.344 5.089 1.00 45.11 C ATOM 929 CD1 PHE A 59 -1.954 -1.606 4.688 1.00 63.44 C ATOM 930 CD2 PHE A 59 -3.237 0.362 4.282 1.00 72.24 C ATOM 931 CE1 PHE A 59 -2.414 -2.155 3.505 1.00 33.05 C ATOM 932 CE2 PHE A 59 -3.702 -0.182 3.099 1.00 45.22 C ATOM 933 CZ PHE A 59 -3.289 -1.441 2.710 1.00 63.24 C ATOM 0 H PHE A 59 0.176 -0.740 7.851 1.00 12.02 H new ATOM 0 HA PHE A 59 -0.062 0.757 5.306 1.00 12.01 H new ATOM 0 HB2 PHE A 59 -2.034 -0.458 7.185 1.00 32.13 H new ATOM 0 HB3 PHE A 59 -2.434 1.145 6.601 1.00 32.13 H new ATOM 0 HD1 PHE A 59 -1.270 -2.168 5.307 1.00 63.44 H new ATOM 0 HD2 PHE A 59 -3.561 1.348 4.580 1.00 72.24 H new ATOM 0 HE1 PHE A 59 -2.090 -3.140 3.203 1.00 33.05 H new ATOM 0 HE2 PHE A 59 -4.388 0.377 2.480 1.00 45.22 H new ATOM 0 HZ PHE A 59 -3.650 -1.867 1.785 1.00 63.24 H new ATOM 943 N PRO A 60 -0.506 3.035 6.492 1.00 30.04 N ATOM 944 CA PRO A 60 -0.343 4.359 7.099 1.00 43.40 C ATOM 945 C PRO A 60 -1.283 4.576 8.280 1.00 40.33 C ATOM 946 O PRO A 60 -2.486 4.337 8.179 1.00 35.54 O ATOM 947 CB PRO A 60 -0.689 5.318 5.957 1.00 63.23 C ATOM 948 CG PRO A 60 -1.586 4.533 5.063 1.00 41.42 C ATOM 949 CD PRO A 60 -1.119 3.107 5.155 1.00 3.13 C ATOM 0 HA PRO A 60 0.659 4.500 7.504 1.00 43.40 H new ATOM 0 HB2 PRO A 60 -1.186 6.214 6.329 1.00 63.23 H new ATOM 0 HB3 PRO A 60 0.207 5.646 5.430 1.00 63.23 H new ATOM 0 HG2 PRO A 60 -2.626 4.624 5.377 1.00 41.42 H new ATOM 0 HG3 PRO A 60 -1.530 4.897 4.037 1.00 41.42 H new ATOM 0 HD2 PRO A 60 -1.947 2.406 5.054 1.00 3.13 H new ATOM 0 HD3 PRO A 60 -0.401 2.868 4.370 1.00 3.13 H new ATOM 957 N TYR A 61 -0.727 5.031 9.397 1.00 41.42 N ATOM 958 CA TYR A 61 -1.516 5.279 10.598 1.00 71.34 C ATOM 959 C TYR A 61 -2.530 6.394 10.363 1.00 52.21 C ATOM 960 O TYR A 61 -3.465 6.573 11.143 1.00 31.15 O ATOM 961 CB TYR A 61 -0.602 5.644 11.768 1.00 24.32 C ATOM 962 CG TYR A 61 -0.596 7.120 12.094 1.00 4.14 C ATOM 963 CD1 TYR A 61 0.001 8.038 11.239 1.00 13.43 C ATOM 964 CD2 TYR A 61 -1.187 7.597 13.258 1.00 74.32 C ATOM 965 CE1 TYR A 61 0.009 9.388 11.534 1.00 62.11 C ATOM 966 CE2 TYR A 61 -1.185 8.945 13.560 1.00 70.22 C ATOM 967 CZ TYR A 61 -0.585 9.836 12.695 1.00 11.31 C ATOM 968 OH TYR A 61 -0.580 11.180 12.991 1.00 11.05 O ATOM 0 H TYR A 61 0.267 5.236 9.496 1.00 41.42 H new ATOM 0 HA TYR A 61 -2.058 4.365 10.841 1.00 71.34 H new ATOM 0 HB2 TYR A 61 -0.916 5.087 12.651 1.00 24.32 H new ATOM 0 HB3 TYR A 61 0.415 5.328 11.536 1.00 24.32 H new ATOM 0 HD1 TYR A 61 0.467 7.691 10.329 1.00 13.43 H new ATOM 0 HD2 TYR A 61 -1.656 6.902 13.938 1.00 74.32 H new ATOM 0 HE1 TYR A 61 0.478 10.088 10.859 1.00 62.11 H new ATOM 0 HE2 TYR A 61 -1.650 9.299 14.468 1.00 70.22 H new ATOM 0 HH TYR A 61 0.164 11.379 13.597 1.00 11.05 H new ATOM 978 N SER A 62 -2.338 7.142 9.281 1.00 62.32 N ATOM 979 CA SER A 62 -3.233 8.242 8.943 1.00 2.42 C ATOM 980 C SER A 62 -4.599 7.719 8.511 1.00 32.45 C ATOM 981 O SER A 62 -5.586 8.453 8.516 1.00 53.12 O ATOM 982 CB SER A 62 -2.626 9.097 7.829 1.00 53.23 C ATOM 983 OG SER A 62 -3.357 10.299 7.653 1.00 61.44 O ATOM 0 H SER A 62 -1.570 7.006 8.623 1.00 62.32 H new ATOM 0 HA SER A 62 -3.364 8.857 9.833 1.00 2.42 H new ATOM 0 HB2 SER A 62 -1.589 9.330 8.069 1.00 53.23 H new ATOM 0 HB3 SER A 62 -2.618 8.533 6.896 1.00 53.23 H new ATOM 0 HG SER A 62 -2.948 10.828 6.937 1.00 61.44 H new ATOM 989 N GLU A 63 -4.647 6.443 8.139 1.00 5.33 N ATOM 990 CA GLU A 63 -5.891 5.821 7.704 1.00 53.02 C ATOM 991 C GLU A 63 -6.553 5.065 8.853 1.00 65.25 C ATOM 992 O GLU A 63 -7.774 4.926 8.896 1.00 11.35 O ATOM 993 CB GLU A 63 -5.630 4.868 6.535 1.00 3.43 C ATOM 994 CG GLU A 63 -5.621 5.556 5.180 1.00 30.51 C ATOM 995 CD GLU A 63 -5.584 4.571 4.027 1.00 12.22 C ATOM 996 OE1 GLU A 63 -6.083 3.439 4.197 1.00 42.13 O ATOM 997 OE2 GLU A 63 -5.057 4.934 2.955 1.00 45.01 O ATOM 0 H GLU A 63 -3.839 5.821 8.130 1.00 5.33 H new ATOM 0 HA GLU A 63 -6.566 6.611 7.375 1.00 53.02 H new ATOM 0 HB2 GLU A 63 -4.671 4.373 6.688 1.00 3.43 H new ATOM 0 HB3 GLU A 63 -6.394 4.090 6.533 1.00 3.43 H new ATOM 0 HG2 GLU A 63 -6.508 6.183 5.089 1.00 30.51 H new ATOM 0 HG3 GLU A 63 -4.756 6.216 5.117 1.00 30.51 H new ATOM 1004 N ASN A 64 -5.735 4.577 9.780 1.00 12.23 N ATOM 1005 CA ASN A 64 -6.240 3.834 10.929 1.00 22.11 C ATOM 1006 C ASN A 64 -6.634 4.780 12.059 1.00 4.31 C ATOM 1007 O ASN A 64 -7.646 4.577 12.730 1.00 40.22 O ATOM 1008 CB ASN A 64 -5.185 2.842 11.424 1.00 74.31 C ATOM 1009 CG ASN A 64 -4.736 1.886 10.336 1.00 23.51 C ATOM 1010 OD1 ASN A 64 -5.265 0.782 10.207 1.00 71.43 O ATOM 1011 ND2 ASN A 64 -3.753 2.306 9.548 1.00 55.43 N ATOM 0 H ASN A 64 -4.721 4.683 9.758 1.00 12.23 H new ATOM 0 HA ASN A 64 -7.127 3.285 10.614 1.00 22.11 H new ATOM 0 HB2 ASN A 64 -4.322 3.391 11.800 1.00 74.31 H new ATOM 0 HB3 ASN A 64 -5.590 2.272 12.260 1.00 74.31 H new ATOM 0 HD21 ASN A 64 -3.407 1.705 8.800 1.00 55.43 H new ATOM 0 HD22 ASN A 64 -3.344 3.229 9.691 1.00 55.43 H new ATOM 1018 N LYS A 65 -5.827 5.816 12.264 1.00 21.12 N ATOM 1019 CA LYS A 65 -6.090 6.796 13.311 1.00 14.01 C ATOM 1020 C LYS A 65 -7.474 7.416 13.141 1.00 62.44 C ATOM 1021 O LYS A 65 -8.083 7.870 14.108 1.00 33.22 O ATOM 1022 CB LYS A 65 -5.023 7.892 13.292 1.00 1.41 C ATOM 1023 CG LYS A 65 -5.207 8.901 12.172 1.00 52.51 C ATOM 1024 CD LYS A 65 -4.045 9.877 12.104 1.00 43.53 C ATOM 1025 CE LYS A 65 -3.887 10.648 13.405 1.00 11.54 C ATOM 1026 NZ LYS A 65 -5.158 11.305 13.819 1.00 74.52 N ATOM 0 H LYS A 65 -4.985 5.998 11.718 1.00 21.12 H new ATOM 0 HA LYS A 65 -6.057 6.282 14.272 1.00 14.01 H new ATOM 0 HB2 LYS A 65 -5.036 8.416 14.248 1.00 1.41 H new ATOM 0 HB3 LYS A 65 -4.041 7.429 13.195 1.00 1.41 H new ATOM 0 HG2 LYS A 65 -5.299 8.377 11.221 1.00 52.51 H new ATOM 0 HG3 LYS A 65 -6.136 9.450 12.325 1.00 52.51 H new ATOM 0 HD2 LYS A 65 -3.125 9.334 11.888 1.00 43.53 H new ATOM 0 HD3 LYS A 65 -4.203 10.576 11.283 1.00 43.53 H new ATOM 0 HE2 LYS A 65 -3.556 9.969 14.191 1.00 11.54 H new ATOM 0 HE3 LYS A 65 -3.110 11.403 13.288 1.00 11.54 H new ATOM 0 HZ1 LYS A 65 -4.964 11.991 14.576 1.00 74.52 H new ATOM 0 HZ2 LYS A 65 -5.576 11.798 13.004 1.00 74.52 H new ATOM 0 HZ3 LYS A 65 -5.823 10.585 14.167 1.00 74.52 H new ATOM 1040 N GLU A 66 -7.963 7.429 11.905 1.00 51.04 N ATOM 1041 CA GLU A 66 -9.275 7.993 11.609 1.00 31.43 C ATOM 1042 C GLU A 66 -10.371 6.947 11.795 1.00 22.12 C ATOM 1043 O GLU A 66 -11.548 7.281 11.931 1.00 1.34 O ATOM 1044 CB GLU A 66 -9.311 8.536 10.179 1.00 12.24 C ATOM 1045 CG GLU A 66 -9.150 7.463 9.116 1.00 42.10 C ATOM 1046 CD GLU A 66 -9.623 7.920 7.750 1.00 73.23 C ATOM 1047 OE1 GLU A 66 -10.794 8.338 7.636 1.00 12.33 O ATOM 1048 OE2 GLU A 66 -8.822 7.859 6.794 1.00 62.42 O ATOM 0 H GLU A 66 -7.471 7.056 11.093 1.00 51.04 H new ATOM 0 HA GLU A 66 -9.455 8.812 12.305 1.00 31.43 H new ATOM 0 HB2 GLU A 66 -10.257 9.054 10.020 1.00 12.24 H new ATOM 0 HB3 GLU A 66 -8.519 9.275 10.060 1.00 12.24 H new ATOM 0 HG2 GLU A 66 -8.101 7.172 9.055 1.00 42.10 H new ATOM 0 HG3 GLU A 66 -9.710 6.576 9.412 1.00 42.10 H new ATOM 1055 N LYS A 67 -9.975 5.678 11.799 1.00 12.43 N ATOM 1056 CA LYS A 67 -10.921 4.582 11.969 1.00 73.01 C ATOM 1057 C LYS A 67 -11.386 4.484 13.418 1.00 33.14 C ATOM 1058 O LYS A 67 -12.572 4.636 13.711 1.00 14.15 O ATOM 1059 CB LYS A 67 -10.284 3.260 11.536 1.00 21.31 C ATOM 1060 CG LYS A 67 -10.615 2.864 10.107 1.00 24.04 C ATOM 1061 CD LYS A 67 -11.859 1.995 10.043 1.00 34.24 C ATOM 1062 CE LYS A 67 -13.115 2.797 10.348 1.00 34.33 C ATOM 1063 NZ LYS A 67 -13.282 3.944 9.413 1.00 24.23 N ATOM 0 H LYS A 67 -9.005 5.384 11.686 1.00 12.43 H new ATOM 0 HA LYS A 67 -11.789 4.783 11.341 1.00 73.01 H new ATOM 0 HB2 LYS A 67 -9.202 3.336 11.642 1.00 21.31 H new ATOM 0 HB3 LYS A 67 -10.615 2.469 12.209 1.00 21.31 H new ATOM 0 HG2 LYS A 67 -10.765 3.761 9.506 1.00 24.04 H new ATOM 0 HG3 LYS A 67 -9.772 2.326 9.673 1.00 24.04 H new ATOM 0 HD2 LYS A 67 -11.942 1.549 9.052 1.00 34.24 H new ATOM 0 HD3 LYS A 67 -11.768 1.174 10.755 1.00 34.24 H new ATOM 0 HE2 LYS A 67 -13.986 2.146 10.283 1.00 34.33 H new ATOM 0 HE3 LYS A 67 -13.070 3.167 11.372 1.00 34.33 H new ATOM 0 HZ1 LYS A 67 -13.122 4.835 9.925 1.00 24.23 H new ATOM 0 HZ2 LYS A 67 -12.594 3.862 8.637 1.00 24.23 H new ATOM 0 HZ3 LYS A 67 -14.246 3.937 9.023 1.00 24.23 H new ATOM 1077 N TYR A 68 -10.445 4.230 14.321 1.00 51.42 N ATOM 1078 CA TYR A 68 -10.759 4.111 15.740 1.00 50.43 C ATOM 1079 C TYR A 68 -9.792 4.937 16.583 1.00 53.43 C ATOM 1080 O TYR A 68 -10.121 5.359 17.691 1.00 51.34 O ATOM 1081 CB TYR A 68 -10.707 2.646 16.174 1.00 73.43 C ATOM 1082 CG TYR A 68 -10.907 1.670 15.036 1.00 23.20 C ATOM 1083 CD1 TYR A 68 -12.182 1.301 14.626 1.00 21.44 C ATOM 1084 CD2 TYR A 68 -9.819 1.118 14.370 1.00 73.21 C ATOM 1085 CE1 TYR A 68 -12.368 0.409 13.588 1.00 34.11 C ATOM 1086 CE2 TYR A 68 -9.996 0.226 13.329 1.00 14.44 C ATOM 1087 CZ TYR A 68 -11.273 -0.125 12.943 1.00 62.34 C ATOM 1088 OH TYR A 68 -11.454 -1.013 11.907 1.00 54.22 O ATOM 0 H TYR A 68 -9.458 4.103 14.095 1.00 51.42 H new ATOM 0 HA TYR A 68 -11.768 4.494 15.896 1.00 50.43 H new ATOM 0 HB2 TYR A 68 -9.744 2.449 16.645 1.00 73.43 H new ATOM 0 HB3 TYR A 68 -11.473 2.472 16.930 1.00 73.43 H new ATOM 0 HD1 TYR A 68 -13.042 1.719 15.127 1.00 21.44 H new ATOM 0 HD2 TYR A 68 -8.818 1.391 14.671 1.00 73.21 H new ATOM 0 HE1 TYR A 68 -13.366 0.131 13.283 1.00 34.11 H new ATOM 0 HE2 TYR A 68 -9.140 -0.193 12.821 1.00 14.44 H new ATOM 0 HH TYR A 68 -10.581 -1.294 11.561 1.00 54.22 H new ATOM 1098 N GLY A 69 -8.596 5.165 16.048 1.00 74.02 N ATOM 1099 CA GLY A 69 -7.599 5.940 16.763 1.00 72.12 C ATOM 1100 C GLY A 69 -6.978 5.168 17.910 1.00 60.12 C ATOM 1101 O GLY A 69 -5.941 5.562 18.444 1.00 32.14 O ATOM 0 H GLY A 69 -8.300 4.827 15.132 1.00 74.02 H new ATOM 0 HA2 GLY A 69 -6.816 6.247 16.070 1.00 72.12 H new ATOM 0 HA3 GLY A 69 -8.058 6.850 17.148 1.00 72.12 H new ATOM 1105 N LYS A 70 -7.613 4.065 18.291 1.00 32.03 N ATOM 1106 CA LYS A 70 -7.118 3.235 19.383 1.00 62.22 C ATOM 1107 C LYS A 70 -7.503 1.774 19.173 1.00 23.21 C ATOM 1108 O LYS A 70 -8.446 1.453 18.450 1.00 62.04 O ATOM 1109 CB LYS A 70 -7.671 3.732 20.720 1.00 24.05 C ATOM 1110 CG LYS A 70 -9.053 3.192 21.046 1.00 43.43 C ATOM 1111 CD LYS A 70 -10.078 3.627 20.013 1.00 55.44 C ATOM 1112 CE LYS A 70 -11.492 3.265 20.443 1.00 5.13 C ATOM 1113 NZ LYS A 70 -11.789 1.824 20.213 1.00 54.44 N ATOM 0 H LYS A 70 -8.472 3.725 17.859 1.00 32.03 H new ATOM 0 HA LYS A 70 -6.031 3.308 19.397 1.00 62.22 H new ATOM 0 HB2 LYS A 70 -6.982 3.449 21.516 1.00 24.05 H new ATOM 0 HB3 LYS A 70 -7.710 4.821 20.705 1.00 24.05 H new ATOM 0 HG2 LYS A 70 -9.018 2.103 21.090 1.00 43.43 H new ATOM 0 HG3 LYS A 70 -9.358 3.541 22.032 1.00 43.43 H new ATOM 0 HD2 LYS A 70 -10.008 4.704 19.860 1.00 55.44 H new ATOM 0 HD3 LYS A 70 -9.855 3.154 19.056 1.00 55.44 H new ATOM 0 HE2 LYS A 70 -11.621 3.498 21.500 1.00 5.13 H new ATOM 0 HE3 LYS A 70 -12.207 3.876 19.892 1.00 5.13 H new ATOM 0 HZ1 LYS A 70 -12.761 1.617 20.518 1.00 54.44 H new ATOM 0 HZ2 LYS A 70 -11.690 1.606 19.201 1.00 54.44 H new ATOM 0 HZ3 LYS A 70 -11.123 1.241 20.759 1.00 54.44 H new ATOM 1127 N PRO A 71 -6.758 0.866 19.821 1.00 21.21 N ATOM 1128 CA PRO A 71 -7.004 -0.576 19.723 1.00 50.14 C ATOM 1129 C PRO A 71 -8.294 -0.993 20.420 1.00 55.41 C ATOM 1130 O PRO A 71 -8.698 -0.388 21.412 1.00 3.04 O ATOM 1131 CB PRO A 71 -5.793 -1.192 20.427 1.00 4.41 C ATOM 1132 CG PRO A 71 -5.327 -0.137 21.371 1.00 70.20 C ATOM 1133 CD PRO A 71 -5.618 1.177 20.700 1.00 33.24 C ATOM 0 HA PRO A 71 -7.123 -0.899 18.689 1.00 50.14 H new ATOM 0 HB2 PRO A 71 -6.065 -2.105 20.957 1.00 4.41 H new ATOM 0 HB3 PRO A 71 -5.013 -1.458 19.714 1.00 4.41 H new ATOM 0 HG2 PRO A 71 -5.847 -0.211 22.326 1.00 70.20 H new ATOM 0 HG3 PRO A 71 -4.262 -0.242 21.579 1.00 70.20 H new ATOM 0 HD2 PRO A 71 -5.869 1.951 21.425 1.00 33.24 H new ATOM 0 HD3 PRO A 71 -4.760 1.537 20.133 1.00 33.24 H new ATOM 1141 N ASN A 72 -8.938 -2.030 19.894 1.00 44.12 N ATOM 1142 CA ASN A 72 -10.183 -2.527 20.467 1.00 72.45 C ATOM 1143 C ASN A 72 -9.924 -3.726 21.374 1.00 11.02 C ATOM 1144 O ASN A 72 -10.258 -3.706 22.559 1.00 0.51 O ATOM 1145 CB ASN A 72 -11.160 -2.917 19.355 1.00 11.12 C ATOM 1146 CG ASN A 72 -12.490 -3.403 19.898 1.00 1.14 C ATOM 1147 OD1 ASN A 72 -12.926 -2.984 20.971 1.00 45.31 O ATOM 1148 ND2 ASN A 72 -13.142 -4.292 19.158 1.00 23.34 N ATOM 0 H ASN A 72 -8.618 -2.542 19.072 1.00 44.12 H new ATOM 0 HA ASN A 72 -10.623 -1.729 21.066 1.00 72.45 H new ATOM 0 HB2 ASN A 72 -11.328 -2.058 18.705 1.00 11.12 H new ATOM 0 HB3 ASN A 72 -10.714 -3.699 18.741 1.00 11.12 H new ATOM 0 HD21 ASN A 72 -14.042 -4.655 19.472 1.00 23.34 H new ATOM 0 HD22 ASN A 72 -12.743 -4.611 18.275 1.00 23.34 H new ATOM 1155 N LYS A 73 -9.326 -4.770 20.810 1.00 0.22 N ATOM 1156 CA LYS A 73 -9.019 -5.978 21.567 1.00 13.33 C ATOM 1157 C LYS A 73 -7.520 -6.256 21.563 1.00 24.14 C ATOM 1158 O LYS A 73 -7.093 -7.411 21.588 1.00 52.23 O ATOM 1159 CB LYS A 73 -9.773 -7.175 20.984 1.00 64.13 C ATOM 1160 CG LYS A 73 -9.929 -8.329 21.959 1.00 63.43 C ATOM 1161 CD LYS A 73 -11.037 -9.276 21.529 1.00 10.03 C ATOM 1162 CE LYS A 73 -10.973 -10.591 22.291 1.00 63.24 C ATOM 1163 NZ LYS A 73 -11.509 -11.724 21.486 1.00 23.25 N ATOM 0 H LYS A 73 -9.044 -4.804 19.830 1.00 0.22 H new ATOM 0 HA LYS A 73 -9.339 -5.822 22.597 1.00 13.33 H new ATOM 0 HB2 LYS A 73 -10.761 -6.848 20.660 1.00 64.13 H new ATOM 0 HB3 LYS A 73 -9.247 -7.528 20.097 1.00 64.13 H new ATOM 0 HG2 LYS A 73 -8.989 -8.876 22.030 1.00 63.43 H new ATOM 0 HG3 LYS A 73 -10.147 -7.940 22.953 1.00 63.43 H new ATOM 0 HD2 LYS A 73 -12.005 -8.804 21.696 1.00 10.03 H new ATOM 0 HD3 LYS A 73 -10.957 -9.470 20.459 1.00 10.03 H new ATOM 0 HE2 LYS A 73 -9.940 -10.800 22.569 1.00 63.24 H new ATOM 0 HE3 LYS A 73 -11.541 -10.502 23.217 1.00 63.24 H new ATOM 0 HZ1 LYS A 73 -11.448 -12.602 22.039 1.00 23.25 H new ATOM 0 HZ2 LYS A 73 -12.502 -11.537 21.242 1.00 23.25 H new ATOM 0 HZ3 LYS A 73 -10.951 -11.825 20.614 1.00 23.25 H new ATOM 1177 N ARG A 74 -6.725 -5.191 21.534 1.00 23.41 N ATOM 1178 CA ARG A 74 -5.273 -5.322 21.527 1.00 3.05 C ATOM 1179 C ARG A 74 -4.665 -4.704 22.783 1.00 15.34 C ATOM 1180 O ARG A 74 -4.757 -3.495 23.000 1.00 21.24 O ATOM 1181 CB ARG A 74 -4.685 -4.655 20.282 1.00 0.05 C ATOM 1182 CG ARG A 74 -4.934 -5.432 19.000 1.00 32.02 C ATOM 1183 CD ARG A 74 -4.304 -6.815 19.055 1.00 3.32 C ATOM 1184 NE ARG A 74 -5.300 -7.863 19.256 1.00 33.23 N ATOM 1185 CZ ARG A 74 -4.993 -9.125 19.534 1.00 33.33 C ATOM 1186 NH1 ARG A 74 -3.724 -9.494 19.644 1.00 14.30 N ATOM 1187 NH2 ARG A 74 -5.957 -10.022 19.704 1.00 43.13 N ATOM 0 H ARG A 74 -7.062 -4.228 21.515 1.00 23.41 H new ATOM 0 HA ARG A 74 -5.030 -6.384 21.511 1.00 3.05 H new ATOM 0 HB2 ARG A 74 -5.110 -3.656 20.180 1.00 0.05 H new ATOM 0 HB3 ARG A 74 -3.611 -4.532 20.419 1.00 0.05 H new ATOM 0 HG2 ARG A 74 -6.007 -5.526 18.833 1.00 32.02 H new ATOM 0 HG3 ARG A 74 -4.527 -4.879 18.153 1.00 32.02 H new ATOM 0 HD2 ARG A 74 -3.762 -7.003 18.128 1.00 3.32 H new ATOM 0 HD3 ARG A 74 -3.574 -6.849 19.864 1.00 3.32 H new ATOM 0 HE ARG A 74 -6.286 -7.612 19.179 1.00 33.23 H new ATOM 0 HH11 ARG A 74 -2.980 -8.808 19.515 1.00 14.30 H new ATOM 0 HH12 ARG A 74 -3.492 -10.464 19.858 1.00 14.30 H new ATOM 0 HH21 ARG A 74 -6.934 -9.742 19.621 1.00 43.13 H new ATOM 0 HH22 ARG A 74 -5.720 -10.991 19.917 1.00 43.13 H new ATOM 1201 N LYS A 75 -4.046 -5.541 23.608 1.00 2.14 N ATOM 1202 CA LYS A 75 -3.422 -5.078 24.843 1.00 75.23 C ATOM 1203 C LYS A 75 -2.463 -3.925 24.568 1.00 25.04 C ATOM 1204 O LYS A 75 -1.853 -3.852 23.502 1.00 31.12 O ATOM 1205 CB LYS A 75 -2.675 -6.227 25.523 1.00 62.55 C ATOM 1206 CG LYS A 75 -3.557 -7.085 26.413 1.00 13.44 C ATOM 1207 CD LYS A 75 -3.661 -6.509 27.816 1.00 43.33 C ATOM 1208 CE LYS A 75 -2.341 -6.623 28.564 1.00 52.32 C ATOM 1209 NZ LYS A 75 -2.545 -6.722 30.036 1.00 61.54 N ATOM 0 H LYS A 75 -3.963 -6.544 23.444 1.00 2.14 H new ATOM 0 HA LYS A 75 -4.209 -4.722 25.508 1.00 75.23 H new ATOM 0 HB2 LYS A 75 -2.222 -6.858 24.758 1.00 62.55 H new ATOM 0 HB3 LYS A 75 -1.861 -5.817 26.120 1.00 62.55 H new ATOM 0 HG2 LYS A 75 -4.552 -7.162 25.975 1.00 13.44 H new ATOM 0 HG3 LYS A 75 -3.152 -8.096 26.463 1.00 13.44 H new ATOM 0 HD2 LYS A 75 -3.959 -5.462 27.760 1.00 43.33 H new ATOM 0 HD3 LYS A 75 -4.440 -7.033 28.369 1.00 43.33 H new ATOM 0 HE2 LYS A 75 -1.799 -7.501 28.213 1.00 52.32 H new ATOM 0 HE3 LYS A 75 -1.721 -5.755 28.341 1.00 52.32 H new ATOM 0 HZ1 LYS A 75 -1.622 -6.798 30.510 1.00 61.54 H new ATOM 0 HZ2 LYS A 75 -3.040 -5.873 30.376 1.00 61.54 H new ATOM 0 HZ3 LYS A 75 -3.115 -7.564 30.252 1.00 61.54 H new ATOM 1223 N GLY A 76 -2.332 -3.026 25.539 1.00 2.22 N ATOM 1224 CA GLY A 76 -1.443 -1.889 25.383 1.00 72.13 C ATOM 1225 C GLY A 76 -2.191 -0.605 25.085 1.00 15.14 C ATOM 1226 O GLY A 76 -1.583 0.452 24.916 1.00 22.12 O ATOM 0 H GLY A 76 -2.826 -3.065 26.431 1.00 2.22 H new ATOM 0 HA2 GLY A 76 -0.858 -1.762 26.294 1.00 72.13 H new ATOM 0 HA3 GLY A 76 -0.738 -2.091 24.576 1.00 72.13 H new ATOM 1230 N PHE A 77 -3.516 -0.695 25.020 1.00 63.13 N ATOM 1231 CA PHE A 77 -4.348 0.469 24.738 1.00 72.52 C ATOM 1232 C PHE A 77 -4.022 1.615 25.691 1.00 64.42 C ATOM 1233 O PHE A 77 -3.907 1.417 26.900 1.00 53.24 O ATOM 1234 CB PHE A 77 -5.829 0.102 24.852 1.00 54.05 C ATOM 1235 CG PHE A 77 -6.249 -0.274 26.244 1.00 65.52 C ATOM 1236 CD1 PHE A 77 -6.704 0.689 27.129 1.00 53.42 C ATOM 1237 CD2 PHE A 77 -6.187 -1.592 26.668 1.00 73.24 C ATOM 1238 CE1 PHE A 77 -7.090 0.346 28.411 1.00 62.43 C ATOM 1239 CE2 PHE A 77 -6.572 -1.942 27.948 1.00 21.13 C ATOM 1240 CZ PHE A 77 -7.025 -0.972 28.821 1.00 42.24 C ATOM 0 H PHE A 77 -4.036 -1.562 25.159 1.00 63.13 H new ATOM 0 HA PHE A 77 -4.138 0.796 23.720 1.00 72.52 H new ATOM 0 HB2 PHE A 77 -6.431 0.946 24.515 1.00 54.05 H new ATOM 0 HB3 PHE A 77 -6.042 -0.730 24.180 1.00 54.05 H new ATOM 0 HD1 PHE A 77 -6.758 1.721 26.814 1.00 53.42 H new ATOM 0 HD2 PHE A 77 -5.834 -2.355 25.990 1.00 73.24 H new ATOM 0 HE1 PHE A 77 -7.442 1.107 29.092 1.00 62.43 H new ATOM 0 HE2 PHE A 77 -6.519 -2.973 28.266 1.00 21.13 H new ATOM 0 HZ PHE A 77 -7.328 -1.243 29.822 1.00 42.24 H new ATOM 1250 N ASN A 78 -3.872 2.813 25.136 1.00 13.21 N ATOM 1251 CA ASN A 78 -3.558 3.992 25.936 1.00 64.43 C ATOM 1252 C ASN A 78 -2.164 3.879 26.546 1.00 63.25 C ATOM 1253 O ASN A 78 -1.853 4.542 27.535 1.00 73.25 O ATOM 1254 CB ASN A 78 -4.598 4.175 27.043 1.00 64.12 C ATOM 1255 CG ASN A 78 -5.359 5.480 26.911 1.00 44.01 C ATOM 1256 OD1 ASN A 78 -5.545 6.204 27.889 1.00 40.32 O ATOM 1257 ND2 ASN A 78 -5.803 5.786 25.697 1.00 24.33 N ATOM 0 H ASN A 78 -3.963 2.993 24.136 1.00 13.21 H new ATOM 0 HA ASN A 78 -3.579 4.862 25.280 1.00 64.43 H new ATOM 0 HB2 ASN A 78 -5.302 3.343 27.018 1.00 64.12 H new ATOM 0 HB3 ASN A 78 -4.102 4.143 28.013 1.00 64.12 H new ATOM 0 HD21 ASN A 78 -6.322 6.651 25.547 1.00 24.33 H new ATOM 0 HD22 ASN A 78 -5.625 5.156 24.915 1.00 24.33 H new ATOM 1264 N GLU A 79 -1.328 3.035 25.948 1.00 75.05 N ATOM 1265 CA GLU A 79 0.032 2.836 26.432 1.00 22.35 C ATOM 1266 C GLU A 79 1.048 3.092 25.323 1.00 2.52 C ATOM 1267 O GLU A 79 1.790 2.195 24.926 1.00 30.00 O ATOM 1268 CB GLU A 79 0.201 1.415 26.975 1.00 60.11 C ATOM 1269 CG GLU A 79 -0.960 0.951 27.838 1.00 10.13 C ATOM 1270 CD GLU A 79 -1.441 2.025 28.795 1.00 75.05 C ATOM 1271 OE1 GLU A 79 -0.601 2.823 29.261 1.00 35.21 O ATOM 1272 OE2 GLU A 79 -2.657 2.068 29.076 1.00 31.44 O ATOM 0 H GLU A 79 -1.570 2.479 25.128 1.00 75.05 H new ATOM 0 HA GLU A 79 0.211 3.549 27.237 1.00 22.35 H new ATOM 0 HB2 GLU A 79 0.318 0.727 26.138 1.00 60.11 H new ATOM 0 HB3 GLU A 79 1.120 1.365 27.559 1.00 60.11 H new ATOM 0 HG2 GLU A 79 -1.786 0.645 27.196 1.00 10.13 H new ATOM 0 HG3 GLU A 79 -0.657 0.072 28.407 1.00 10.13 H new ATOM 1279 N GLY A 80 1.075 4.326 24.827 1.00 72.32 N ATOM 1280 CA GLY A 80 2.002 4.679 23.768 1.00 41.21 C ATOM 1281 C GLY A 80 1.295 5.080 22.488 1.00 3.23 C ATOM 1282 O GLY A 80 1.938 5.343 21.471 1.00 4.11 O ATOM 0 H GLY A 80 0.472 5.087 25.140 1.00 72.32 H new ATOM 0 HA2 GLY A 80 2.635 5.501 24.103 1.00 41.21 H new ATOM 0 HA3 GLY A 80 2.659 3.832 23.567 1.00 41.21 H new ATOM 1286 N LEU A 81 -0.031 5.126 22.537 1.00 54.23 N ATOM 1287 CA LEU A 81 -0.827 5.497 21.371 1.00 32.54 C ATOM 1288 C LEU A 81 -0.670 6.980 21.054 1.00 44.04 C ATOM 1289 O LEU A 81 -0.412 7.356 19.910 1.00 22.20 O ATOM 1290 CB LEU A 81 -2.302 5.168 21.611 1.00 1.52 C ATOM 1291 CG LEU A 81 -3.279 5.643 20.535 1.00 64.35 C ATOM 1292 CD1 LEU A 81 -3.392 4.610 19.424 1.00 30.32 C ATOM 1293 CD2 LEU A 81 -4.645 5.928 21.142 1.00 65.22 C ATOM 0 H LEU A 81 -0.578 4.911 23.371 1.00 54.23 H new ATOM 0 HA LEU A 81 -0.467 4.922 20.518 1.00 32.54 H new ATOM 0 HB2 LEU A 81 -2.401 4.087 21.712 1.00 1.52 H new ATOM 0 HB3 LEU A 81 -2.601 5.605 22.564 1.00 1.52 H new ATOM 0 HG LEU A 81 -2.895 6.568 20.106 1.00 64.35 H new ATOM 0 HD11 LEU A 81 -4.091 4.965 18.667 1.00 30.32 H new ATOM 0 HD12 LEU A 81 -2.413 4.456 18.970 1.00 30.32 H new ATOM 0 HD13 LEU A 81 -3.752 3.668 19.838 1.00 30.32 H new ATOM 0 HD21 LEU A 81 -5.327 6.265 20.361 1.00 65.22 H new ATOM 0 HD22 LEU A 81 -5.037 5.019 21.599 1.00 65.22 H new ATOM 0 HD23 LEU A 81 -4.551 6.704 21.901 1.00 65.22 H new ATOM 1305 N TRP A 82 -0.824 7.817 22.073 1.00 51.44 N ATOM 1306 CA TRP A 82 -0.697 9.260 21.902 1.00 3.40 C ATOM 1307 C TRP A 82 0.768 9.667 21.783 1.00 52.20 C ATOM 1308 O TRP A 82 1.081 10.756 21.302 1.00 60.52 O ATOM 1309 CB TRP A 82 -1.349 9.993 23.076 1.00 64.12 C ATOM 1310 CG TRP A 82 -0.989 11.446 23.143 1.00 43.33 C ATOM 1311 CD1 TRP A 82 -1.624 12.478 22.512 1.00 64.34 C ATOM 1312 CD2 TRP A 82 0.091 12.029 23.880 1.00 25.42 C ATOM 1313 NE1 TRP A 82 -1.003 13.666 22.812 1.00 11.25 N ATOM 1314 CE2 TRP A 82 0.051 13.418 23.651 1.00 63.11 C ATOM 1315 CE3 TRP A 82 1.087 11.512 24.714 1.00 43.25 C ATOM 1316 CZ2 TRP A 82 0.969 14.294 24.224 1.00 24.53 C ATOM 1317 CZ3 TRP A 82 1.998 12.383 25.282 1.00 60.55 C ATOM 1318 CH2 TRP A 82 1.934 13.761 25.036 1.00 72.52 C ATOM 0 H TRP A 82 -1.037 7.522 23.026 1.00 51.44 H new ATOM 0 HA TRP A 82 -1.208 9.538 20.980 1.00 3.40 H new ATOM 0 HB2 TRP A 82 -2.432 9.898 22.998 1.00 64.12 H new ATOM 0 HB3 TRP A 82 -1.053 9.509 24.007 1.00 64.12 H new ATOM 0 HD1 TRP A 82 -2.487 12.375 21.871 1.00 64.34 H new ATOM 0 HE1 TRP A 82 -1.282 14.584 22.466 1.00 11.25 H new ATOM 0 HE3 TRP A 82 1.144 10.452 24.911 1.00 43.25 H new ATOM 0 HZ2 TRP A 82 0.922 15.356 24.035 1.00 24.53 H new ATOM 0 HZ3 TRP A 82 2.773 11.995 25.927 1.00 60.55 H new ATOM 0 HH2 TRP A 82 2.660 14.415 25.496 1.00 72.52 H new ATOM 1329 N GLU A 83 1.660 8.786 22.224 1.00 2.10 N ATOM 1330 CA GLU A 83 3.092 9.056 22.167 1.00 41.05 C ATOM 1331 C GLU A 83 3.656 8.712 20.791 1.00 72.51 C ATOM 1332 O GLU A 83 4.725 9.189 20.409 1.00 14.42 O ATOM 1333 CB GLU A 83 3.828 8.259 23.246 1.00 73.34 C ATOM 1334 CG GLU A 83 3.799 8.917 24.615 1.00 44.34 C ATOM 1335 CD GLU A 83 4.436 8.057 25.689 1.00 44.41 C ATOM 1336 OE1 GLU A 83 5.660 8.188 25.904 1.00 34.25 O ATOM 1337 OE2 GLU A 83 3.712 7.254 26.314 1.00 45.34 O ATOM 0 H GLU A 83 1.417 7.880 22.624 1.00 2.10 H new ATOM 0 HA GLU A 83 3.242 10.121 22.347 1.00 41.05 H new ATOM 0 HB2 GLU A 83 3.383 7.267 23.320 1.00 73.34 H new ATOM 0 HB3 GLU A 83 4.865 8.121 22.940 1.00 73.34 H new ATOM 0 HG2 GLU A 83 4.319 9.874 24.565 1.00 44.34 H new ATOM 0 HG3 GLU A 83 2.766 9.129 24.890 1.00 44.34 H new ATOM 1344 N ILE A 84 2.930 7.879 20.052 1.00 10.12 N ATOM 1345 CA ILE A 84 3.357 7.471 18.720 1.00 72.04 C ATOM 1346 C ILE A 84 3.730 8.679 17.868 1.00 51.43 C ATOM 1347 O ILE A 84 4.570 8.585 16.973 1.00 5.41 O ATOM 1348 CB ILE A 84 2.259 6.668 17.998 1.00 34.31 C ATOM 1349 CG1 ILE A 84 2.855 5.886 16.826 1.00 70.31 C ATOM 1350 CG2 ILE A 84 1.154 7.596 17.515 1.00 21.03 C ATOM 1351 CD1 ILE A 84 1.828 5.104 16.036 1.00 4.41 C ATOM 0 H ILE A 84 2.044 7.474 20.354 1.00 10.12 H new ATOM 0 HA ILE A 84 4.234 6.837 18.851 1.00 72.04 H new ATOM 0 HB ILE A 84 1.828 5.957 18.703 1.00 34.31 H new ATOM 0 HG12 ILE A 84 3.364 6.581 16.158 1.00 70.31 H new ATOM 0 HG13 ILE A 84 3.610 5.198 17.206 1.00 70.31 H new ATOM 0 HG21 ILE A 84 0.386 7.013 17.007 1.00 21.03 H new ATOM 0 HG22 ILE A 84 0.713 8.112 18.368 1.00 21.03 H new ATOM 0 HG23 ILE A 84 1.570 8.329 16.824 1.00 21.03 H new ATOM 0 HD11 ILE A 84 2.322 4.575 15.221 1.00 4.41 H new ATOM 0 HD12 ILE A 84 1.336 4.385 16.691 1.00 4.41 H new ATOM 0 HD13 ILE A 84 1.085 5.789 15.626 1.00 4.41 H new ATOM 1363 N ASP A 85 3.101 9.814 18.153 1.00 52.12 N ATOM 1364 CA ASP A 85 3.368 11.043 17.415 1.00 45.11 C ATOM 1365 C ASP A 85 4.048 12.076 18.308 1.00 14.43 C ATOM 1366 O ASP A 85 4.735 12.974 17.824 1.00 64.22 O ATOM 1367 CB ASP A 85 2.069 11.616 16.848 1.00 13.20 C ATOM 1368 CG ASP A 85 2.271 12.294 15.507 1.00 60.41 C ATOM 1369 OD1 ASP A 85 3.360 12.866 15.289 1.00 15.22 O ATOM 1370 OD2 ASP A 85 1.341 12.250 14.675 1.00 42.43 O ATOM 0 H ASP A 85 2.402 9.908 18.890 1.00 52.12 H new ATOM 0 HA ASP A 85 4.040 10.804 16.591 1.00 45.11 H new ATOM 0 HB2 ASP A 85 1.339 10.814 16.740 1.00 13.20 H new ATOM 0 HB3 ASP A 85 1.653 12.333 17.555 1.00 13.20 H new ATOM 1375 N ASN A 86 3.848 11.943 19.616 1.00 40.44 N ATOM 1376 CA ASN A 86 4.440 12.867 20.577 1.00 72.21 C ATOM 1377 C ASN A 86 5.811 12.375 21.030 1.00 44.53 C ATOM 1378 O ASN A 86 6.832 12.994 20.733 1.00 45.13 O ATOM 1379 CB ASN A 86 3.520 13.033 21.788 1.00 0.42 C ATOM 1380 CG ASN A 86 2.364 13.975 21.511 1.00 1.12 C ATOM 1381 OD1 ASN A 86 2.410 15.153 21.866 1.00 40.25 O ATOM 1382 ND2 ASN A 86 1.319 13.458 20.875 1.00 45.12 N ATOM 0 H ASN A 86 3.281 11.205 20.034 1.00 40.44 H new ATOM 0 HA ASN A 86 4.564 13.833 20.087 1.00 72.21 H new ATOM 0 HB2 ASN A 86 3.129 12.058 22.080 1.00 0.42 H new ATOM 0 HB3 ASN A 86 4.098 13.410 22.631 1.00 0.42 H new ATOM 0 HD21 ASN A 86 0.511 14.043 20.662 1.00 45.12 H new ATOM 0 HD22 ASN A 86 1.324 12.476 20.600 1.00 45.12 H new ATOM 1389 N ASN A 87 5.826 11.258 21.750 1.00 52.52 N ATOM 1390 CA ASN A 87 7.072 10.684 22.244 1.00 72.53 C ATOM 1391 C ASN A 87 7.364 9.350 21.562 1.00 52.44 C ATOM 1392 O ASN A 87 7.210 8.278 22.147 1.00 14.41 O ATOM 1393 CB ASN A 87 7.002 10.489 23.760 1.00 43.13 C ATOM 1394 CG ASN A 87 8.373 10.303 24.382 1.00 34.31 C ATOM 1395 OD1 ASN A 87 9.337 9.963 23.696 1.00 1.25 O ATOM 1396 ND2 ASN A 87 8.464 10.524 25.688 1.00 1.33 N ATOM 0 H ASN A 87 4.990 10.733 22.004 1.00 52.52 H new ATOM 0 HA ASN A 87 7.880 11.377 22.010 1.00 72.53 H new ATOM 0 HB2 ASN A 87 6.515 11.352 24.213 1.00 43.13 H new ATOM 0 HB3 ASN A 87 6.383 9.620 23.984 1.00 43.13 H new ATOM 0 HD21 ASN A 87 9.360 10.413 26.163 1.00 1.33 H new ATOM 0 HD22 ASN A 87 7.638 10.804 26.217 1.00 1.33 H new ATOM 1403 N PRO A 88 7.796 9.417 20.294 1.00 64.22 N ATOM 1404 CA PRO A 88 8.120 8.225 19.505 1.00 64.35 C ATOM 1405 C PRO A 88 9.381 7.525 20.001 1.00 1.54 C ATOM 1406 O PRO A 88 9.715 6.430 19.550 1.00 31.41 O ATOM 1407 CB PRO A 88 8.338 8.781 18.095 1.00 74.30 C ATOM 1408 CG PRO A 88 8.739 10.200 18.305 1.00 32.13 C ATOM 1409 CD PRO A 88 8.003 10.661 19.533 1.00 22.42 C ATOM 0 HA PRO A 88 7.334 7.472 19.565 1.00 64.35 H new ATOM 0 HB2 PRO A 88 9.112 8.225 17.566 1.00 74.30 H new ATOM 0 HB3 PRO A 88 7.429 8.711 17.497 1.00 74.30 H new ATOM 0 HG2 PRO A 88 9.817 10.285 18.441 1.00 32.13 H new ATOM 0 HG3 PRO A 88 8.478 10.811 17.441 1.00 32.13 H new ATOM 0 HD2 PRO A 88 8.584 11.387 20.101 1.00 22.42 H new ATOM 0 HD3 PRO A 88 7.057 11.139 19.279 1.00 22.42 H new ATOM 1417 N LYS A 89 10.078 8.165 20.934 1.00 45.41 N ATOM 1418 CA LYS A 89 11.302 7.605 21.494 1.00 22.34 C ATOM 1419 C LYS A 89 11.104 7.219 22.957 1.00 70.02 C ATOM 1420 O LYS A 89 12.059 7.172 23.732 1.00 63.22 O ATOM 1421 CB LYS A 89 12.450 8.609 21.372 1.00 65.11 C ATOM 1422 CG LYS A 89 12.928 8.816 19.945 1.00 55.21 C ATOM 1423 CD LYS A 89 13.677 7.601 19.425 1.00 30.23 C ATOM 1424 CE LYS A 89 15.160 7.679 19.753 1.00 63.34 C ATOM 1425 NZ LYS A 89 15.973 6.812 18.855 1.00 73.12 N ATOM 0 H LYS A 89 9.816 9.073 21.318 1.00 45.41 H new ATOM 0 HA LYS A 89 11.552 6.707 20.929 1.00 22.34 H new ATOM 0 HB2 LYS A 89 12.129 9.567 21.781 1.00 65.11 H new ATOM 0 HB3 LYS A 89 13.287 8.267 21.981 1.00 65.11 H new ATOM 0 HG2 LYS A 89 12.073 9.021 19.300 1.00 55.21 H new ATOM 0 HG3 LYS A 89 13.577 9.691 19.901 1.00 55.21 H new ATOM 0 HD2 LYS A 89 13.254 6.697 19.862 1.00 30.23 H new ATOM 0 HD3 LYS A 89 13.545 7.525 18.346 1.00 30.23 H new ATOM 0 HE2 LYS A 89 15.498 8.712 19.664 1.00 63.34 H new ATOM 0 HE3 LYS A 89 15.319 7.379 20.789 1.00 63.34 H new ATOM 0 HZ1 LYS A 89 16.978 6.893 19.111 1.00 73.12 H new ATOM 0 HZ2 LYS A 89 15.668 5.823 18.958 1.00 73.12 H new ATOM 0 HZ3 LYS A 89 15.841 7.114 17.869 1.00 73.12 H new ATOM 1439 N VAL A 90 9.858 6.942 23.328 1.00 53.54 N ATOM 1440 CA VAL A 90 9.535 6.558 24.696 1.00 12.15 C ATOM 1441 C VAL A 90 10.234 5.259 25.082 1.00 54.20 C ATOM 1442 O VAL A 90 10.437 4.977 26.263 1.00 11.10 O ATOM 1443 CB VAL A 90 8.016 6.388 24.888 1.00 21.41 C ATOM 1444 CG1 VAL A 90 7.483 5.288 23.982 1.00 44.21 C ATOM 1445 CG2 VAL A 90 7.693 6.092 26.345 1.00 2.20 C ATOM 0 H VAL A 90 9.056 6.977 22.699 1.00 53.54 H new ATOM 0 HA VAL A 90 9.887 7.362 25.342 1.00 12.15 H new ATOM 0 HB VAL A 90 7.526 7.322 24.613 1.00 21.41 H new ATOM 0 HG11 VAL A 90 6.408 5.182 24.131 1.00 44.21 H new ATOM 0 HG12 VAL A 90 7.681 5.546 22.942 1.00 44.21 H new ATOM 0 HG13 VAL A 90 7.977 4.347 24.223 1.00 44.21 H new ATOM 0 HG21 VAL A 90 6.616 5.975 26.462 1.00 2.20 H new ATOM 0 HG22 VAL A 90 8.193 5.172 26.649 1.00 2.20 H new ATOM 0 HG23 VAL A 90 8.038 6.916 26.969 1.00 2.20 H new